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/Insulina-7a5d68a4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Insulina-7a5d68a4/inputs/seq.fa: 1 curr_seq: _AUGGCUCUGUGGAUGCGUCUGCUGCCGCUGCUGGCUCUGCUGGCUCUCUGGGGUCCGGACCCGGCGGCUGCGUUCGUUAACCAGCAUCUGUGCGGUUCUCACCUGGUUGAAGCUCUGUACCUGGUUUGCGGUGAACGUUGGUUUCUUCUACACCCCGAAAACCCGUCGUGAAGCUGAAAGACCUGCAGGUUGGUCAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGGCUCUGUGGAUGCGUCUGCUGCCGCUGCUGGCUCUGCUGGCUCUCUGGGGUCCGGACCCGGCGGCUGCGUUCGUUAACCAGCAUCUGUGCGGUUCUCACCUGGUUGAAGCUCUGUACCUGGUUUGCGGUGAACGUUGGUUUCUUCUACACCCCGAAAACCCGUCGUGAAGCUGAAAGACCUGCAGGUUGGUCAGG 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 198 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: 995 n_atoms_counter: 995 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 198.000000 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/Insulina-7a5d68a4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Insulina-7a5d68a4/inputs/seq.fa: 1 curr_seq: _AUGGCUCUGUGGAUGCGUCUGCUGCCGCUGCUGGCUCUGCUGGCUCUCUGGGGUCCGGACCCGGCGGCUGCGUUCGUUAACCAGCAUCUGUGCGGUUCUCACCUGGUUGAAGCUCUGUACCUGGUUUGCGGUGAACGUUGGUUUCUUCUACACCCCGAAAACCCGUCGUGAAGCUGAAAGACCUGCAGGUUGGUCAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGGCUCUGUGGAUGCGUCUGCUGCCGCUGCUGGCUCUGCUGGCUCUCUGGGGUCCGGACCCGGCGGCUGCGUUCGUUAACCAGCAUCUGUGCGGUUCUCACCUGGUUGAAGCUCUGUACCUGGUUUGCGGUGAACGUUGGUUUCUUCUACACCCCGAAAACCCGUCGUGAAGCUGAAAGACCUGCAGGUUGGUCAGG 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 198 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: 995 n_atoms_counter: 995 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 198.000000 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/Insulina-7a5d68a4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Insulina-7a5d68a4/inputs/seq.fa: 1 curr_seq: _AUGGCUCUGUGGAUGCGUCUGCUGCCGCUGCUGGCUCUGCUGGCUCUCUGGGGUCCGGACCCGGCGGCUGCGUUCGUUAACCAGCAUCUGUGCGGUUCUCACCUGGUUGAAGCUCUGUACCUGGUUUGCGGUGAACGUUGGUUUCUUCUACACCCCGAAAACCCGUCGUGAAGCUGAAAGACCUGCAGGUUGGUCAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGGCUCUGUGGAUGCGUCUGCUGCCGCUGCUGGCUCUGCUGGCUCUCUGGGGUCCGGACCCGGCGGCUGCGUUCGUUAACCAGCAUCUGUGCGGUUCUCACCUGGUUGAAGCUCUGUACCUGGUUUGCGGUGAACGUUGGUUUCUUCUACACCCCGAAAACCCGUCGUGAAGCUGAAAGACCUGCAGGUUGGUCAGG 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 198 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: 995 n_atoms_counter: 995 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 198.000000 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/Insulina-7a5d68a4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Insulina-7a5d68a4/inputs/seq.fa: 1 curr_seq: _AUGGCUCUGUGGAUGCGUCUGCUGCCGCUGCUGGCUCUGCUGGCUCUCUGGGGUCCGGACCCGGCGGCUGCGUUCGUUAACCAGCAUCUGUGCGGUUCUCACCUGGUUGAAGCUCUGUACCUGGUUUGCGGUGAACGUUGGUUUCUUCUACACCCCGAAAACCCGUCGUGAAGCUGAAAGACCUGCAGGUUGGUCAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGGCUCUGUGGAUGCGUCUGCUGCCGCUGCUGGCUCUGCUGGCUCUCUGGGGUCCGGACCCGGCGGCUGCGUUCGUUAACCAGCAUCUGUGCGGUUCUCACCUGGUUGAAGCUCUGUACCUGGUUUGCGGUGAACGUUGGUUUCUUCUACACCCCGAAAACCCGUCGUGAAGCUGAAAGACCUGCAGGUUGGUCAGG 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 198 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: 995 n_atoms_counter: 995 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 198.000000 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/Insulina-7a5d68a4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Insulina-7a5d68a4/inputs/seq.fa: 1 curr_seq: _AUGGCUCUGUGGAUGCGUCUGCUGCCGCUGCUGGCUCUGCUGGCUCUCUGGGGUCCGGACCCGGCGGCUGCGUUCGUUAACCAGCAUCUGUGCGGUUCUCACCUGGUUGAAGCUCUGUACCUGGUUUGCGGUGAACGUUGGUUUCUUCUACACCCCGAAAACCCGUCGUGAAGCUGAAAGACCUGCAGGUUGGUCAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGGCUCUGUGGAUGCGUCUGCUGCCGCUGCUGGCUCUGCUGGCUCUCUGGGGUCCGGACCCGGCGGCUGCGUUCGUUAACCAGCAUCUGUGCGGUUCUCACCUGGUUGAAGCUCUGUACCUGGUUUGCGGUGAACGUUGGUUUCUUCUACACCCCGAAAACCCGUCGUGAAGCUGAAAGACCUGCAGGUUGGUCAGG 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 198 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: 995 n_atoms_counter: 995 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 198.000000 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/Insulina-7a5d68a4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Insulina-7a5d68a4/inputs/seq.fa: 1 curr_seq: _AUGGCUCUGUGGAUGCGUCUGCUGCCGCUGCUGGCUCUGCUGGCUCUCUGGGGUCCGGACCCGGCGGCUGCGUUCGUUAACCAGCAUCUGUGCGGUUCUCACCUGGUUGAAGCUCUGUACCUGGUUUGCGGUGAACGUUGGUUUCUUCUACACCCCGAAAACCCGUCGUGAAGCUGAAAGACCUGCAGGUUGGUCAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGGCUCUGUGGAUGCGUCUGCUGCCGCUGCUGGCUCUGCUGGCUCUCUGGGGUCCGGACCCGGCGGCUGCGUUCGUUAACCAGCAUCUGUGCGGUUCUCACCUGGUUGAAGCUCUGUACCUGGUUUGCGGUGAACGUUGGUUUCUUCUACACCCCGAAAACCCGUCGUGAAGCUGAAAGACCUGCAGGUUGGUCAGG 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 198 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: 995 n_atoms_counter: 995 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 198.000000 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/Insulina-7a5d68a4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Insulina-7a5d68a4/inputs/seq.fa: 1 curr_seq: _AUGGCUCUGUGGAUGCGUCUGCUGCCGCUGCUGGCUCUGCUGGCUCUCUGGGGUCCGGACCCGGCGGCUGCGUUCGUUAACCAGCAUCUGUGCGGUUCUCACCUGGUUGAAGCUCUGUACCUGGUUUGCGGUGAACGUUGGUUUCUUCUACACCCCGAAAACCCGUCGUGAAGCUGAAAGACCUGCAGGUUGGUCAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGGCUCUGUGGAUGCGUCUGCUGCCGCUGCUGGCUCUGCUGGCUCUCUGGGGUCCGGACCCGGCGGCUGCGUUCGUUAACCAGCAUCUGUGCGGUUCUCACCUGGUUGAAGCUCUGUACCUGGUUUGCGGUGAACGUUGGUUUCUUCUACACCCCGAAAACCCGUCGUGAAGCUGAAAGACCUGCAGGUUGGUCAGG 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 198 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: 995 n_atoms_counter: 995 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 198.000000 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/Insulina-7a5d68a4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Insulina-7a5d68a4/inputs/seq.fa: 1 curr_seq: _AUGGCUCUGUGGAUGCGUCUGCUGCCGCUGCUGGCUCUGCUGGCUCUCUGGGGUCCGGACCCGGCGGCUGCGUUCGUUAACCAGCAUCUGUGCGGUUCUCACCUGGUUGAAGCUCUGUACCUGGUUUGCGGUGAACGUUGGUUUCUUCUACACCCCGAAAACCCGUCGUGAAGCUGAAAGACCUGCAGGUUGGUCAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGGCUCUGUGGAUGCGUCUGCUGCCGCUGCUGGCUCUGCUGGCUCUCUGGGGUCCGGACCCGGCGGCUGCGUUCGUUAACCAGCAUCUGUGCGGUUCUCACCUGGUUGAAGCUCUGUACCUGGUUUGCGGUGAACGUUGGUUUCUUCUACACCCCGAAAACCCGUCGUGAAGCUGAAAGACCUGCAGGUUGGUCAGG 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 198 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: 995 n_atoms_counter: 995 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 198.000000 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/Insulina-7a5d68a4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Insulina-7a5d68a4/inputs/seq.fa: 1 curr_seq: _AUGGCUCUGUGGAUGCGUCUGCUGCCGCUGCUGGCUCUGCUGGCUCUCUGGGGUCCGGACCCGGCGGCUGCGUUCGUUAACCAGCAUCUGUGCGGUUCUCACCUGGUUGAAGCUCUGUACCUGGUUUGCGGUGAACGUUGGUUUCUUCUACACCCCGAAAACCCGUCGUGAAGCUGAAAGACCUGCAGGUUGGUCAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGGCUCUGUGGAUGCGUCUGCUGCCGCUGCUGGCUCUGCUGGCUCUCUGGGGUCCGGACCCGGCGGCUGCGUUCGUUAACCAGCAUCUGUGCGGUUCUCACCUGGUUGAAGCUCUGUACCUGGUUUGCGGUGAACGUUGGUUUCUUCUACACCCCGAAAACCCGUCGUGAAGCUGAAAGACCUGCAGGUUGGUCAGG 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 198 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: 995 n_atoms_counter: 995 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 198.000000 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/Insulina-7a5d68a4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Insulina-7a5d68a4/inputs/seq.fa: 1 curr_seq: _AUGGCUCUGUGGAUGCGUCUGCUGCCGCUGCUGGCUCUGCUGGCUCUCUGGGGUCCGGACCCGGCGGCUGCGUUCGUUAACCAGCAUCUGUGCGGUUCUCACCUGGUUGAAGCUCUGUACCUGGUUUGCGGUGAACGUUGGUUUCUUCUACACCCCGAAAACCCGUCGUGAAGCUGAAAGACCUGCAGGUUGGUCAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGGCUCUGUGGAUGCGUCUGCUGCCGCUGCUGGCUCUGCUGGCUCUCUGGGGUCCGGACCCGGCGGCUGCGUUCGUUAACCAGCAUCUGUGCGGUUCUCACCUGGUUGAAGCUCUGUACCUGGUUUGCGGUGAACGUUGGUUUCUUCUACACCCCGAAAACCCGUCGUGAAGCUGAAAGACCUGCAGGUUGGUCAGG 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 198 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: 995 n_atoms_counter: 995 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 198.000000 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: -803.836338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.836338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.836338 (E_RNA) where: Base-Base interactions energy: -33.168 where: short stacking energy: -33.168 Base-Backbone interact. energy: -0.000 local terms energy: -770.667809 where: bonds (distance) C4'-P energy: -192.372 bonds (distance) P-C4' energy: -178.036 flat angles C4'-P-C4' energy: -145.377 flat angles P-C4'-P energy: -166.295 tors. eta vs tors. theta energy: -88.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -803.836338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.836338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.836338 (E_RNA) where: Base-Base interactions energy: -33.168 where: short stacking energy: -33.168 Base-Backbone interact. energy: -0.000 local terms energy: -770.667809 where: bonds (distance) C4'-P energy: -192.372 bonds (distance) P-C4' energy: -178.036 flat angles C4'-P-C4' energy: -145.377 flat angles P-C4'-P energy: -166.295 tors. eta vs tors. theta energy: -88.588 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: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -803.836338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.836338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.836338 (E_RNA) where: Base-Base interactions energy: -33.168 where: short stacking energy: -33.168 Base-Backbone interact. energy: -0.000 local terms energy: -770.667809 where: bonds (distance) C4'-P energy: -192.372 bonds (distance) P-C4' energy: -178.036 flat angles C4'-P-C4' energy: -145.377 flat angles P-C4'-P energy: -166.295 tors. eta vs tors. theta energy: -88.588 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -803.836338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.836338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.836338 (E_RNA) where: Base-Base interactions energy: -33.168 where: short stacking energy: -33.168 Base-Backbone interact. energy: -0.000 local terms energy: -770.667809 where: bonds (distance) C4'-P energy: -192.372 bonds (distance) P-C4' energy: -178.036 flat angles C4'-P-C4' energy: -145.377 flat angles P-C4'-P energy: -166.295 tors. eta vs tors. theta energy: -88.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -803.836338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.836338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.836338 (E_RNA) where: Base-Base interactions energy: -33.168 where: short stacking energy: -33.168 Base-Backbone interact. energy: -0.000 local terms energy: -770.667809 where: bonds (distance) C4'-P energy: -192.372 bonds (distance) P-C4' energy: -178.036 flat angles C4'-P-C4' energy: -145.377 flat angles P-C4'-P energy: -166.295 tors. eta vs tors. theta energy: -88.588 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: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -803.836338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.836338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.836338 (E_RNA) where: Base-Base interactions energy: -33.168 where: short stacking energy: -33.168 Base-Backbone interact. energy: -0.000 local terms energy: -770.667809 where: bonds (distance) C4'-P energy: -192.372 bonds (distance) P-C4' energy: -178.036 flat angles C4'-P-C4' energy: -145.377 flat angles P-C4'-P energy: -166.295 tors. eta vs tors. theta energy: -88.588 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: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -803.836338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.836338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.836338 (E_RNA) where: Base-Base interactions energy: -33.168 where: short stacking energy: -33.168 Base-Backbone interact. energy: -0.000 local terms energy: -770.667809 where: bonds (distance) C4'-P energy: -192.372 bonds (distance) P-C4' energy: -178.036 flat angles C4'-P-C4' energy: -145.377 flat angles P-C4'-P energy: -166.295 tors. eta vs tors. theta energy: -88.588 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -803.836338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.836338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.836338 (E_RNA) where: Base-Base interactions energy: -33.168 where: short stacking energy: -33.168 Base-Backbone interact. energy: -0.000 local terms energy: -770.667809 where: bonds (distance) C4'-P energy: -192.372 bonds (distance) P-C4' energy: -178.036 flat angles C4'-P-C4' energy: -145.377 flat angles P-C4'-P energy: -166.295 tors. eta vs tors. theta energy: -88.588 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: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -803.836338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.836338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.836338 (E_RNA) where: Base-Base interactions energy: -33.168 where: short stacking energy: -33.168 Base-Backbone interact. energy: -0.000 local terms energy: -770.667809 where: bonds (distance) C4'-P energy: -192.372 bonds (distance) P-C4' energy: -178.036 flat angles C4'-P-C4' energy: -145.377 flat angles P-C4'-P energy: -166.295 tors. eta vs tors. theta energy: -88.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -803.836338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.836338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.836338 (E_RNA) where: Base-Base interactions energy: -33.168 where: short stacking energy: -33.168 Base-Backbone interact. energy: -0.000 local terms energy: -770.667809 where: bonds (distance) C4'-P energy: -192.372 bonds (distance) P-C4' energy: -178.036 flat angles C4'-P-C4' energy: -145.377 flat angles P-C4'-P energy: -166.295 tors. eta vs tors. theta energy: -88.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1029.091839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.091839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.091839 (E_RNA) where: Base-Base interactions energy: -448.306 where: short stacking energy: -444.927 Base-Backbone interact. energy: -0.208 local terms energy: -580.577442 where: bonds (distance) C4'-P energy: -132.662 bonds (distance) P-C4' energy: -130.538 flat angles C4'-P-C4' energy: -138.374 flat angles P-C4'-P energy: -65.628 tors. eta vs tors. theta energy: -113.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -964.090892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.090892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.090892 (E_RNA) where: Base-Base interactions energy: -431.209 where: short stacking energy: -417.714 Base-Backbone interact. energy: 0.347 local terms energy: -533.229436 where: bonds (distance) C4'-P energy: -123.000 bonds (distance) P-C4' energy: -124.652 flat angles C4'-P-C4' energy: -115.598 flat angles P-C4'-P energy: -74.400 tors. eta vs tors. theta energy: -95.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -904.973530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.973530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.973530 (E_RNA) where: Base-Base interactions energy: -351.201 where: short stacking energy: -339.288 Base-Backbone interact. energy: 0.137 local terms energy: -553.910153 where: bonds (distance) C4'-P energy: -115.535 bonds (distance) P-C4' energy: -133.523 flat angles C4'-P-C4' energy: -118.876 flat angles P-C4'-P energy: -86.036 tors. eta vs tors. theta energy: -99.940 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: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -816.732722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.732722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.732722 (E_RNA) where: Base-Base interactions energy: -345.841 where: short stacking energy: -336.739 Base-Backbone interact. energy: 1.005 local terms energy: -471.896072 where: bonds (distance) C4'-P energy: -109.063 bonds (distance) P-C4' energy: -106.879 flat angles C4'-P-C4' energy: -122.512 flat angles P-C4'-P energy: -71.790 tors. eta vs tors. theta energy: -61.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -818.058533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.058533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.058533 (E_RNA) where: Base-Base interactions energy: -262.437 where: short stacking energy: -261.850 Base-Backbone interact. energy: -0.001 local terms energy: -555.619961 where: bonds (distance) C4'-P energy: -115.926 bonds (distance) P-C4' energy: -125.649 flat angles C4'-P-C4' energy: -135.950 flat angles P-C4'-P energy: -97.719 tors. eta vs tors. theta energy: -80.376 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: 2 Temperature: 1.150000 Total energy: -804.877857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.877857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.877857 (E_RNA) where: Base-Base interactions energy: -37.923 where: short stacking energy: -37.923 Base-Backbone interact. energy: -0.000 local terms energy: -766.954738 where: bonds (distance) C4'-P energy: -191.259 bonds (distance) P-C4' energy: -176.000 flat angles C4'-P-C4' energy: -144.975 flat angles P-C4'-P energy: -165.581 tors. eta vs tors. theta energy: -89.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -804.344583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.344583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.344583 (E_RNA) where: Base-Base interactions energy: -36.926 where: short stacking energy: -36.926 Base-Backbone interact. energy: -0.000 local terms energy: -767.418708 where: bonds (distance) C4'-P energy: -191.785 bonds (distance) P-C4' energy: -176.004 flat angles C4'-P-C4' energy: -144.862 flat angles P-C4'-P energy: -165.881 tors. eta vs tors. theta energy: -88.887 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: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -805.008016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.008016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.008016 (E_RNA) where: Base-Base interactions energy: -72.521 where: short stacking energy: -72.521 Base-Backbone interact. energy: -0.000 local terms energy: -732.486361 where: bonds (distance) C4'-P energy: -176.931 bonds (distance) P-C4' energy: -159.199 flat angles C4'-P-C4' energy: -144.138 flat angles P-C4'-P energy: -159.198 tors. eta vs tors. theta energy: -93.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -803.818901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.818901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.818901 (E_RNA) where: Base-Base interactions energy: -38.695 where: short stacking energy: -38.695 Base-Backbone interact. energy: -0.000 local terms energy: -765.124208 where: bonds (distance) C4'-P energy: -190.580 bonds (distance) P-C4' energy: -175.743 flat angles C4'-P-C4' energy: -144.134 flat angles P-C4'-P energy: -165.624 tors. eta vs tors. theta energy: -89.043 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: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -804.209512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.209512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.209512 (E_RNA) where: Base-Base interactions energy: -36.926 where: short stacking energy: -36.926 Base-Backbone interact. energy: -0.000 local terms energy: -767.283734 where: bonds (distance) C4'-P energy: -191.785 bonds (distance) P-C4' energy: -176.004 flat angles C4'-P-C4' energy: -144.862 flat angles P-C4'-P energy: -165.746 tors. eta vs tors. theta energy: -88.887 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: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1056.485460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.485460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.485460 (E_RNA) where: Base-Base interactions energy: -490.648 where: short stacking energy: -463.106 Base-Backbone interact. energy: -0.822 local terms energy: -565.015458 where: bonds (distance) C4'-P energy: -120.351 bonds (distance) P-C4' energy: -126.505 flat angles C4'-P-C4' energy: -122.544 flat angles P-C4'-P energy: -83.504 tors. eta vs tors. theta energy: -112.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -971.338051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.338051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.338051 (E_RNA) where: Base-Base interactions energy: -436.320 where: short stacking energy: -404.790 Base-Backbone interact. energy: -0.808 local terms energy: -534.209251 where: bonds (distance) C4'-P energy: -110.866 bonds (distance) P-C4' energy: -125.366 flat angles C4'-P-C4' energy: -120.626 flat angles P-C4'-P energy: -77.565 tors. eta vs tors. theta energy: -99.786 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: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -950.472014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.472014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.472014 (E_RNA) where: Base-Base interactions energy: -422.030 where: short stacking energy: -371.301 Base-Backbone interact. energy: 1.924 local terms energy: -530.365699 where: bonds (distance) C4'-P energy: -128.520 bonds (distance) P-C4' energy: -123.686 flat angles C4'-P-C4' energy: -119.799 flat angles P-C4'-P energy: -74.612 tors. eta vs tors. theta energy: -83.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -830.431201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.431201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.431201 (E_RNA) where: Base-Base interactions energy: -352.786 where: short stacking energy: -328.665 Base-Backbone interact. energy: -0.271 local terms energy: -477.374054 where: bonds (distance) C4'-P energy: -108.728 bonds (distance) P-C4' energy: -103.750 flat angles C4'-P-C4' energy: -105.945 flat angles P-C4'-P energy: -76.814 tors. eta vs tors. theta energy: -82.137 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: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -784.689037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.689037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.689037 (E_RNA) where: Base-Base interactions energy: -322.637 where: short stacking energy: -303.580 Base-Backbone interact. energy: -0.009 local terms energy: -462.043018 where: bonds (distance) C4'-P energy: -105.774 bonds (distance) P-C4' energy: -113.595 flat angles C4'-P-C4' energy: -109.697 flat angles P-C4'-P energy: -70.325 tors. eta vs tors. theta energy: -62.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -693.397053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.397053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.397053 (E_RNA) where: Base-Base interactions energy: -275.232 where: short stacking energy: -256.590 Base-Backbone interact. energy: 0.510 local terms energy: -418.674887 where: bonds (distance) C4'-P energy: -106.725 bonds (distance) P-C4' energy: -116.876 flat angles C4'-P-C4' energy: -109.648 flat angles P-C4'-P energy: -59.650 tors. eta vs tors. theta energy: -25.777 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: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -652.368064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.368064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.368064 (E_RNA) where: Base-Base interactions energy: -243.325 where: short stacking energy: -199.733 Base-Backbone interact. energy: -0.390 local terms energy: -408.653484 where: bonds (distance) C4'-P energy: -92.406 bonds (distance) P-C4' energy: -122.679 flat angles C4'-P-C4' energy: -114.689 flat angles P-C4'-P energy: -64.649 tors. eta vs tors. theta energy: -14.230 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: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -600.450931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.450931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.450931 (E_RNA) where: Base-Base interactions energy: -222.966 where: short stacking energy: -194.511 Base-Backbone interact. energy: -1.154 local terms energy: -376.331191 where: bonds (distance) C4'-P energy: -107.145 bonds (distance) P-C4' energy: -102.736 flat angles C4'-P-C4' energy: -102.466 flat angles P-C4'-P energy: -38.722 tors. eta vs tors. theta energy: -25.262 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: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -546.324559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.324559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.324559 (E_RNA) where: Base-Base interactions energy: -212.756 where: short stacking energy: -185.401 Base-Backbone interact. energy: 0.005 local terms energy: -333.573644 where: bonds (distance) C4'-P energy: -110.951 bonds (distance) P-C4' energy: -107.918 flat angles C4'-P-C4' energy: -74.229 flat angles P-C4'-P energy: -40.564 tors. eta vs tors. theta energy: 0.087 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: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -519.317375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.317375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.317375 (E_RNA) where: Base-Base interactions energy: -199.864 where: short stacking energy: -160.453 Base-Backbone interact. energy: 0.256 local terms energy: -319.709397 where: bonds (distance) C4'-P energy: -91.622 bonds (distance) P-C4' energy: -90.762 flat angles C4'-P-C4' energy: -82.337 flat angles P-C4'-P energy: -52.237 tors. eta vs tors. theta energy: -2.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1099.497125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.497125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.497125 (E_RNA) where: Base-Base interactions energy: -510.488 where: short stacking energy: -450.239 Base-Backbone interact. energy: -0.973 local terms energy: -588.036319 where: bonds (distance) C4'-P energy: -129.796 bonds (distance) P-C4' energy: -129.527 flat angles C4'-P-C4' energy: -129.788 flat angles P-C4'-P energy: -82.038 tors. eta vs tors. theta energy: -116.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -989.581771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.581771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.581771 (E_RNA) where: Base-Base interactions energy: -458.562 where: short stacking energy: -403.652 Base-Backbone interact. energy: -1.403 local terms energy: -529.616890 where: bonds (distance) C4'-P energy: -125.939 bonds (distance) P-C4' energy: -107.312 flat angles C4'-P-C4' energy: -127.829 flat angles P-C4'-P energy: -79.387 tors. eta vs tors. theta energy: -89.150 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: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -973.252739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.252739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.252739 (E_RNA) where: Base-Base interactions energy: -470.084 where: short stacking energy: -401.264 Base-Backbone interact. energy: -0.565 local terms energy: -502.603480 where: bonds (distance) C4'-P energy: -115.107 bonds (distance) P-C4' energy: -110.660 flat angles C4'-P-C4' energy: -123.527 flat angles P-C4'-P energy: -71.885 tors. eta vs tors. theta energy: -81.424 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: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -847.972064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.972064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.972064 (E_RNA) where: Base-Base interactions energy: -349.033 where: short stacking energy: -324.933 Base-Backbone interact. energy: -0.796 local terms energy: -498.143097 where: bonds (distance) C4'-P energy: -116.785 bonds (distance) P-C4' energy: -120.618 flat angles C4'-P-C4' energy: -124.005 flat angles P-C4'-P energy: -68.699 tors. eta vs tors. theta energy: -68.037 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: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -784.962022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.962022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.962022 (E_RNA) where: Base-Base interactions energy: -346.707 where: short stacking energy: -275.028 Base-Backbone interact. energy: 1.306 local terms energy: -439.561125 where: bonds (distance) C4'-P energy: -106.794 bonds (distance) P-C4' energy: -101.989 flat angles C4'-P-C4' energy: -116.018 flat angles P-C4'-P energy: -75.414 tors. eta vs tors. theta energy: -39.345 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: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -773.417040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.417040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.417040 (E_RNA) where: Base-Base interactions energy: -325.600 where: short stacking energy: -255.762 Base-Backbone interact. energy: -0.545 local terms energy: -447.272195 where: bonds (distance) C4'-P energy: -109.508 bonds (distance) P-C4' energy: -115.713 flat angles C4'-P-C4' energy: -103.591 flat angles P-C4'-P energy: -84.588 tors. eta vs tors. theta energy: -33.873 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: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -710.739007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.739007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.739007 (E_RNA) where: Base-Base interactions energy: -346.065 where: short stacking energy: -236.871 Base-Backbone interact. energy: 0.472 local terms energy: -365.145904 where: bonds (distance) C4'-P energy: -109.352 bonds (distance) P-C4' energy: -111.071 flat angles C4'-P-C4' energy: -94.628 flat angles P-C4'-P energy: -32.742 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: 8, replica: 9 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -589.229853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.229853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.229853 (E_RNA) where: Base-Base interactions energy: -216.357 where: short stacking energy: -202.316 Base-Backbone interact. energy: 0.003 local terms energy: -372.875829 where: bonds (distance) C4'-P energy: -107.396 bonds (distance) P-C4' energy: -118.017 flat angles C4'-P-C4' energy: -79.312 flat angles P-C4'-P energy: -39.730 tors. eta vs tors. theta energy: -28.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -546.424503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.424503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.424503 (E_RNA) where: Base-Base interactions energy: -190.813 where: short stacking energy: -182.067 Base-Backbone interact. energy: 1.725 local terms energy: -357.336483 where: bonds (distance) C4'-P energy: -88.881 bonds (distance) P-C4' energy: -108.136 flat angles C4'-P-C4' energy: -95.540 flat angles P-C4'-P energy: -58.627 tors. eta vs tors. theta energy: -6.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -523.324825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.324825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.324825 (E_RNA) where: Base-Base interactions energy: -164.176 where: short stacking energy: -110.145 Base-Backbone interact. energy: 0.883 local terms energy: -360.032285 where: bonds (distance) C4'-P energy: -106.193 bonds (distance) P-C4' energy: -114.922 flat angles C4'-P-C4' energy: -77.087 flat angles P-C4'-P energy: -56.370 tors. eta vs tors. theta energy: -5.461 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: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1153.562405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.562405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.562405 (E_RNA) where: Base-Base interactions energy: -602.635 where: short stacking energy: -473.887 Base-Backbone interact. energy: -1.695 local terms energy: -549.232901 where: bonds (distance) C4'-P energy: -129.839 bonds (distance) P-C4' energy: -127.442 flat angles C4'-P-C4' energy: -121.660 flat angles P-C4'-P energy: -74.945 tors. eta vs tors. theta energy: -95.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1215.042809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.042809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.042809 (E_RNA) where: Base-Base interactions energy: -645.352 where: short stacking energy: -426.329 Base-Backbone interact. energy: -1.686 local terms energy: -568.004993 where: bonds (distance) C4'-P energy: -124.741 bonds (distance) P-C4' energy: -140.575 flat angles C4'-P-C4' energy: -137.414 flat angles P-C4'-P energy: -74.012 tors. eta vs tors. theta energy: -91.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -962.243161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.243161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.243161 (E_RNA) where: Base-Base interactions energy: -441.031 where: short stacking energy: -360.707 Base-Backbone interact. energy: 0.313 local terms energy: -521.525685 where: bonds (distance) C4'-P energy: -130.644 bonds (distance) P-C4' energy: -120.121 flat angles C4'-P-C4' energy: -115.658 flat angles P-C4'-P energy: -69.126 tors. eta vs tors. theta energy: -85.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -921.758206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.758206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.758206 (E_RNA) where: Base-Base interactions energy: -453.942 where: short stacking energy: -323.392 Base-Backbone interact. energy: 0.597 local terms energy: -468.413308 where: bonds (distance) C4'-P energy: -117.185 bonds (distance) P-C4' energy: -124.614 flat angles C4'-P-C4' energy: -113.378 flat angles P-C4'-P energy: -55.547 tors. eta vs tors. theta energy: -57.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -805.069773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.069773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.069773 (E_RNA) where: Base-Base interactions energy: -350.884 where: short stacking energy: -288.196 Base-Backbone interact. energy: 3.634 local terms energy: -457.818944 where: bonds (distance) C4'-P energy: -108.401 bonds (distance) P-C4' energy: -108.721 flat angles C4'-P-C4' energy: -118.782 flat angles P-C4'-P energy: -69.946 tors. eta vs tors. theta energy: -51.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -862.004452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.004452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.004452 (E_RNA) where: Base-Base interactions energy: -426.780 where: short stacking energy: -254.458 Base-Backbone interact. energy: 0.743 local terms energy: -435.967187 where: bonds (distance) C4'-P energy: -106.617 bonds (distance) P-C4' energy: -117.701 flat angles C4'-P-C4' energy: -115.312 flat angles P-C4'-P energy: -65.690 tors. eta vs tors. theta energy: -30.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -696.936375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.936375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.936375 (E_RNA) where: Base-Base interactions energy: -299.494 where: short stacking energy: -222.876 Base-Backbone interact. energy: 1.032 local terms energy: -398.474368 where: bonds (distance) C4'-P energy: -102.020 bonds (distance) P-C4' energy: -114.455 flat angles C4'-P-C4' energy: -94.835 flat angles P-C4'-P energy: -74.498 tors. eta vs tors. theta energy: -12.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -578.143587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.143587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.143587 (E_RNA) where: Base-Base interactions energy: -212.344 where: short stacking energy: -191.276 Base-Backbone interact. energy: -1.462 local terms energy: -364.336982 where: bonds (distance) C4'-P energy: -106.516 bonds (distance) P-C4' energy: -89.173 flat angles C4'-P-C4' energy: -113.947 flat angles P-C4'-P energy: -43.059 tors. eta vs tors. theta energy: -11.643 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: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -582.233435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.233435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.233435 (E_RNA) where: Base-Base interactions energy: -228.909 where: short stacking energy: -143.844 Base-Backbone interact. energy: 1.707 local terms energy: -355.031490 where: bonds (distance) C4'-P energy: -97.827 bonds (distance) P-C4' energy: -117.279 flat angles C4'-P-C4' energy: -107.356 flat angles P-C4'-P energy: -45.041 tors. eta vs tors. theta energy: 12.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -542.590573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.590573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.590573 (E_RNA) where: Base-Base interactions energy: -254.569 where: short stacking energy: -163.335 Base-Backbone interact. energy: 3.706 local terms energy: -291.727885 where: bonds (distance) C4'-P energy: -96.280 bonds (distance) P-C4' energy: -100.074 flat angles C4'-P-C4' energy: -85.529 flat angles P-C4'-P energy: -35.373 tors. eta vs tors. theta energy: 25.528 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: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1342.748887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.748887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.748887 (E_RNA) where: Base-Base interactions energy: -750.496 where: short stacking energy: -498.824 Base-Backbone interact. energy: -1.557 local terms energy: -590.695714 where: bonds (distance) C4'-P energy: -119.216 bonds (distance) P-C4' energy: -128.387 flat angles C4'-P-C4' energy: -132.352 flat angles P-C4'-P energy: -82.343 tors. eta vs tors. theta energy: -128.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1187.222614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.222614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.222614 (E_RNA) where: Base-Base interactions energy: -605.438 where: short stacking energy: -468.891 Base-Backbone interact. energy: -2.042 local terms energy: -579.742564 where: bonds (distance) C4'-P energy: -123.696 bonds (distance) P-C4' energy: -130.097 flat angles C4'-P-C4' energy: -117.116 flat angles P-C4'-P energy: -82.000 tors. eta vs tors. theta energy: -126.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1064.975928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.975928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.975928 (E_RNA) where: Base-Base interactions energy: -536.167 where: short stacking energy: -371.865 Base-Backbone interact. energy: -1.498 local terms energy: -527.310290 where: bonds (distance) C4'-P energy: -125.165 bonds (distance) P-C4' energy: -117.844 flat angles C4'-P-C4' energy: -116.127 flat angles P-C4'-P energy: -83.448 tors. eta vs tors. theta energy: -84.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -950.355765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.355765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.355765 (E_RNA) where: Base-Base interactions energy: -470.420 where: short stacking energy: -316.751 Base-Backbone interact. energy: -1.830 local terms energy: -478.105254 where: bonds (distance) C4'-P energy: -107.777 bonds (distance) P-C4' energy: -122.050 flat angles C4'-P-C4' energy: -123.921 flat angles P-C4'-P energy: -70.411 tors. eta vs tors. theta energy: -53.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -911.759812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.759812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.759812 (E_RNA) where: Base-Base interactions energy: -466.425 where: short stacking energy: -298.745 Base-Backbone interact. energy: -1.807 local terms energy: -443.527621 where: bonds (distance) C4'-P energy: -111.762 bonds (distance) P-C4' energy: -112.403 flat angles C4'-P-C4' energy: -107.927 flat angles P-C4'-P energy: -71.428 tors. eta vs tors. theta energy: -40.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -756.267270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.267270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.267270 (E_RNA) where: Base-Base interactions energy: -333.943 where: short stacking energy: -282.955 Base-Backbone interact. energy: -1.529 local terms energy: -420.795300 where: bonds (distance) C4'-P energy: -118.691 bonds (distance) P-C4' energy: -114.351 flat angles C4'-P-C4' energy: -105.256 flat angles P-C4'-P energy: -55.589 tors. eta vs tors. theta energy: -26.908 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: 6 Temperature: 1.200000 Total energy: -692.189012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.189012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.189012 (E_RNA) where: Base-Base interactions energy: -313.363 where: short stacking energy: -245.764 Base-Backbone interact. energy: -1.517 local terms energy: -377.309743 where: bonds (distance) C4'-P energy: -105.280 bonds (distance) P-C4' energy: -110.666 flat angles C4'-P-C4' energy: -86.459 flat angles P-C4'-P energy: -60.290 tors. eta vs tors. theta energy: -14.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -576.572667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.572667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.572667 (E_RNA) where: Base-Base interactions energy: -226.733 where: short stacking energy: -209.198 Base-Backbone interact. energy: 4.383 local terms energy: -354.223621 where: bonds (distance) C4'-P energy: -87.454 bonds (distance) P-C4' energy: -123.170 flat angles C4'-P-C4' energy: -90.355 flat angles P-C4'-P energy: -52.512 tors. eta vs tors. theta energy: -0.734 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: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -573.307484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.307484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.307484 (E_RNA) where: Base-Base interactions energy: -234.075 where: short stacking energy: -164.515 Base-Backbone interact. energy: -0.277 local terms energy: -338.955818 where: bonds (distance) C4'-P energy: -97.235 bonds (distance) P-C4' energy: -105.369 flat angles C4'-P-C4' energy: -80.249 flat angles P-C4'-P energy: -66.645 tors. eta vs tors. theta energy: 10.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -536.254388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.254388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.254388 (E_RNA) where: Base-Base interactions energy: -230.756 where: short stacking energy: -171.284 Base-Backbone interact. energy: -1.055 local terms energy: -304.443188 where: bonds (distance) C4'-P energy: -75.522 bonds (distance) P-C4' energy: -99.527 flat angles C4'-P-C4' energy: -73.381 flat angles P-C4'-P energy: -52.104 tors. eta vs tors. theta energy: -3.909 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: 7 Temperature: 0.900000 Total energy: -1356.938734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.938734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.938734 (E_RNA) where: Base-Base interactions energy: -793.931 where: short stacking energy: -499.781 Base-Backbone interact. energy: -0.304 local terms energy: -562.704643 where: bonds (distance) C4'-P energy: -111.916 bonds (distance) P-C4' energy: -126.009 flat angles C4'-P-C4' energy: -130.544 flat angles P-C4'-P energy: -76.136 tors. eta vs tors. theta energy: -118.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1098.185093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.185093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.185093 (E_RNA) where: Base-Base interactions energy: -562.971 where: short stacking energy: -441.157 Base-Backbone interact. energy: -1.221 local terms energy: -533.992485 where: bonds (distance) C4'-P energy: -118.773 bonds (distance) P-C4' energy: -125.959 flat angles C4'-P-C4' energy: -108.349 flat angles P-C4'-P energy: -83.420 tors. eta vs tors. theta energy: -97.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1154.732278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.732278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.732278 (E_RNA) where: Base-Base interactions energy: -607.971 where: short stacking energy: -408.841 Base-Backbone interact. energy: -2.794 local terms energy: -543.967460 where: bonds (distance) C4'-P energy: -126.970 bonds (distance) P-C4' energy: -131.502 flat angles C4'-P-C4' energy: -114.471 flat angles P-C4'-P energy: -81.450 tors. eta vs tors. theta energy: -89.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1020.555577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.555577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.555577 (E_RNA) where: Base-Base interactions energy: -544.843 where: short stacking energy: -364.370 Base-Backbone interact. energy: 2.439 local terms energy: -478.152230 where: bonds (distance) C4'-P energy: -111.934 bonds (distance) P-C4' energy: -127.778 flat angles C4'-P-C4' energy: -101.954 flat angles P-C4'-P energy: -73.325 tors. eta vs tors. theta energy: -63.161 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: 5, replica: 7 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -985.548894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.548894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.548894 (E_RNA) where: Base-Base interactions energy: -495.644 where: short stacking energy: -303.878 Base-Backbone interact. energy: -3.988 local terms energy: -485.917183 where: bonds (distance) C4'-P energy: -104.864 bonds (distance) P-C4' energy: -124.838 flat angles C4'-P-C4' energy: -130.628 flat angles P-C4'-P energy: -79.258 tors. eta vs tors. theta energy: -46.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -786.271162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.271162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.271162 (E_RNA) where: Base-Base interactions energy: -336.963 where: short stacking energy: -238.524 Base-Backbone interact. energy: 1.111 local terms energy: -450.419104 where: bonds (distance) C4'-P energy: -122.750 bonds (distance) P-C4' energy: -112.696 flat angles C4'-P-C4' energy: -112.067 flat angles P-C4'-P energy: -77.421 tors. eta vs tors. theta energy: -25.485 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: 7, replica: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -697.644066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.644066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.644066 (E_RNA) where: Base-Base interactions energy: -285.356 where: short stacking energy: -226.026 Base-Backbone interact. energy: 0.655 local terms energy: -412.943065 where: bonds (distance) C4'-P energy: -104.962 bonds (distance) P-C4' energy: -104.349 flat angles C4'-P-C4' energy: -111.104 flat angles P-C4'-P energy: -79.314 tors. eta vs tors. theta energy: -13.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -607.686800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.686800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.686800 (E_RNA) where: Base-Base interactions energy: -265.113 where: short stacking energy: -205.387 Base-Backbone interact. energy: 4.240 local terms energy: -346.813446 where: bonds (distance) C4'-P energy: -92.317 bonds (distance) P-C4' energy: -112.914 flat angles C4'-P-C4' energy: -94.629 flat angles P-C4'-P energy: -53.898 tors. eta vs tors. theta energy: 6.944 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: 9, replica: 10 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -561.246270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.246270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.246270 (E_RNA) where: Base-Base interactions energy: -239.262 where: short stacking energy: -169.619 Base-Backbone interact. energy: -0.907 local terms energy: -321.076940 where: bonds (distance) C4'-P energy: -98.374 bonds (distance) P-C4' energy: -105.584 flat angles C4'-P-C4' energy: -58.510 flat angles P-C4'-P energy: -65.634 tors. eta vs tors. theta energy: 7.026 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: 10, replica: 8 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -571.802234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.802234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.802234 (E_RNA) where: Base-Base interactions energy: -267.266 where: short stacking energy: -180.441 Base-Backbone interact. energy: -3.396 local terms energy: -301.140122 where: bonds (distance) C4'-P energy: -86.491 bonds (distance) P-C4' energy: -92.331 flat angles C4'-P-C4' energy: -85.443 flat angles P-C4'-P energy: -41.815 tors. eta vs tors. theta energy: 4.940 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: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1423.428429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.428429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.428429 (E_RNA) where: Base-Base interactions energy: -827.933 where: short stacking energy: -503.324 Base-Backbone interact. energy: -0.247 local terms energy: -595.247961 where: bonds (distance) C4'-P energy: -115.356 bonds (distance) P-C4' energy: -127.394 flat angles C4'-P-C4' energy: -138.223 flat angles P-C4'-P energy: -87.013 tors. eta vs tors. theta energy: -127.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1146.589596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.589596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.589596 (E_RNA) where: Base-Base interactions energy: -569.167 where: short stacking energy: -442.786 Base-Backbone interact. energy: -1.219 local terms energy: -576.203320 where: bonds (distance) C4'-P energy: -132.568 bonds (distance) P-C4' energy: -126.686 flat angles C4'-P-C4' energy: -127.540 flat angles P-C4'-P energy: -74.130 tors. eta vs tors. theta energy: -115.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1183.806044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.806044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.806044 (E_RNA) where: Base-Base interactions energy: -638.880 where: short stacking energy: -407.051 Base-Backbone interact. energy: -1.658 local terms energy: -543.267516 where: bonds (distance) C4'-P energy: -103.628 bonds (distance) P-C4' energy: -126.749 flat angles C4'-P-C4' energy: -130.867 flat angles P-C4'-P energy: -83.927 tors. eta vs tors. theta energy: -98.097 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: 4, replica: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1103.725749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.725749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.725749 (E_RNA) where: Base-Base interactions energy: -609.379 where: short stacking energy: -391.887 Base-Backbone interact. energy: -0.444 local terms energy: -493.902389 where: bonds (distance) C4'-P energy: -108.098 bonds (distance) P-C4' energy: -109.588 flat angles C4'-P-C4' energy: -108.186 flat angles P-C4'-P energy: -86.441 tors. eta vs tors. theta energy: -81.589 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: 7 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -959.972251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.972251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.972251 (E_RNA) where: Base-Base interactions energy: -484.526 where: short stacking energy: -307.985 Base-Backbone interact. energy: -0.554 local terms energy: -474.892147 where: bonds (distance) C4'-P energy: -100.827 bonds (distance) P-C4' energy: -114.383 flat angles C4'-P-C4' energy: -114.056 flat angles P-C4'-P energy: -81.049 tors. eta vs tors. theta energy: -64.577 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: 4 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -756.819760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.819760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.819760 (E_RNA) where: Base-Base interactions energy: -337.391 where: short stacking energy: -260.190 Base-Backbone interact. energy: -0.914 local terms energy: -418.515011 where: bonds (distance) C4'-P energy: -116.614 bonds (distance) P-C4' energy: -122.109 flat angles C4'-P-C4' energy: -109.666 flat angles P-C4'-P energy: -52.527 tors. eta vs tors. theta energy: -17.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -770.832389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.832389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.832389 (E_RNA) where: Base-Base interactions energy: -362.768 where: short stacking energy: -236.665 Base-Backbone interact. energy: 0.521 local terms energy: -408.584981 where: bonds (distance) C4'-P energy: -94.141 bonds (distance) P-C4' energy: -117.717 flat angles C4'-P-C4' energy: -120.464 flat angles P-C4'-P energy: -63.258 tors. eta vs tors. theta energy: -13.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -646.723499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.723499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.723499 (E_RNA) where: Base-Base interactions energy: -277.060 where: short stacking energy: -179.060 Base-Backbone interact. energy: -0.679 local terms energy: -368.983876 where: bonds (distance) C4'-P energy: -116.159 bonds (distance) P-C4' energy: -117.784 flat angles C4'-P-C4' energy: -83.222 flat angles P-C4'-P energy: -49.246 tors. eta vs tors. theta energy: -2.574 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: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -662.472342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.472342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.472342 (E_RNA) where: Base-Base interactions energy: -359.067 where: short stacking energy: -219.922 Base-Backbone interact. energy: -2.801 local terms energy: -300.604040 where: bonds (distance) C4'-P energy: -80.662 bonds (distance) P-C4' energy: -101.733 flat angles C4'-P-C4' energy: -88.743 flat angles P-C4'-P energy: -34.621 tors. eta vs tors. theta energy: 5.156 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: 8 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -604.857473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.857473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.857473 (E_RNA) where: Base-Base interactions energy: -267.360 where: short stacking energy: -172.457 Base-Backbone interact. energy: -0.138 local terms energy: -337.360043 where: bonds (distance) C4'-P energy: -96.595 bonds (distance) P-C4' energy: -93.282 flat angles C4'-P-C4' energy: -92.267 flat angles P-C4'-P energy: -58.980 tors. eta vs tors. theta energy: 3.764 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: 1, replica: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1421.045348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.045348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.045348 (E_RNA) where: Base-Base interactions energy: -822.548 where: short stacking energy: -521.073 Base-Backbone interact. energy: -2.734 local terms energy: -595.763989 where: bonds (distance) C4'-P energy: -114.994 bonds (distance) P-C4' energy: -134.479 flat angles C4'-P-C4' energy: -127.355 flat angles P-C4'-P energy: -87.885 tors. eta vs tors. theta energy: -131.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1314.374285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.374285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.374285 (E_RNA) where: Base-Base interactions energy: -740.645 where: short stacking energy: -451.055 Base-Backbone interact. energy: -3.803 local terms energy: -569.926819 where: bonds (distance) C4'-P energy: -121.269 bonds (distance) P-C4' energy: -135.746 flat angles C4'-P-C4' energy: -124.246 flat angles P-C4'-P energy: -77.263 tors. eta vs tors. theta energy: -111.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1078.636439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.636439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.636439 (E_RNA) where: Base-Base interactions energy: -561.263 where: short stacking energy: -416.871 Base-Backbone interact. energy: -0.272 local terms energy: -517.101724 where: bonds (distance) C4'-P energy: -101.959 bonds (distance) P-C4' energy: -115.316 flat angles C4'-P-C4' energy: -128.516 flat angles P-C4'-P energy: -75.686 tors. eta vs tors. theta energy: -95.626 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: 3 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1145.108779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.108779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.108779 (E_RNA) where: Base-Base interactions energy: -654.890 where: short stacking energy: -384.622 Base-Backbone interact. energy: -1.307 local terms energy: -488.912665 where: bonds (distance) C4'-P energy: -103.961 bonds (distance) P-C4' energy: -111.658 flat angles C4'-P-C4' energy: -109.562 flat angles P-C4'-P energy: -80.286 tors. eta vs tors. theta energy: -83.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1051.845073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.845073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.845073 (E_RNA) where: Base-Base interactions energy: -583.427 where: short stacking energy: -385.110 Base-Backbone interact. energy: -1.268 local terms energy: -467.149734 where: bonds (distance) C4'-P energy: -102.262 bonds (distance) P-C4' energy: -110.374 flat angles C4'-P-C4' energy: -100.865 flat angles P-C4'-P energy: -72.361 tors. eta vs tors. theta energy: -81.287 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: 6 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -839.278716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.278716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.278716 (E_RNA) where: Base-Base interactions energy: -434.612 where: short stacking energy: -293.002 Base-Backbone interact. energy: -2.354 local terms energy: -402.312537 where: bonds (distance) C4'-P energy: -93.851 bonds (distance) P-C4' energy: -112.412 flat angles C4'-P-C4' energy: -100.925 flat angles P-C4'-P energy: -59.680 tors. eta vs tors. theta energy: -35.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -685.518039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.518039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.518039 (E_RNA) where: Base-Base interactions energy: -303.403 where: short stacking energy: -223.324 Base-Backbone interact. energy: 0.733 local terms energy: -382.848648 where: bonds (distance) C4'-P energy: -106.845 bonds (distance) P-C4' energy: -104.617 flat angles C4'-P-C4' energy: -105.999 flat angles P-C4'-P energy: -45.056 tors. eta vs tors. theta energy: -20.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -646.443272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.443272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.443272 (E_RNA) where: Base-Base interactions energy: -284.583 where: short stacking energy: -222.455 Base-Backbone interact. energy: 0.063 local terms energy: -361.923006 where: bonds (distance) C4'-P energy: -99.482 bonds (distance) P-C4' energy: -97.422 flat angles C4'-P-C4' energy: -91.065 flat angles P-C4'-P energy: -59.270 tors. eta vs tors. theta energy: -14.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -560.285007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.285007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.285007 (E_RNA) where: Base-Base interactions energy: -260.155 where: short stacking energy: -161.609 Base-Backbone interact. energy: -0.007 local terms energy: -300.122830 where: bonds (distance) C4'-P energy: -82.070 bonds (distance) P-C4' energy: -105.042 flat angles C4'-P-C4' energy: -82.161 flat angles P-C4'-P energy: -58.826 tors. eta vs tors. theta energy: 27.977 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: 8 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -586.206491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.206491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.206491 (E_RNA) where: Base-Base interactions energy: -281.199 where: short stacking energy: -161.933 Base-Backbone interact. energy: -2.746 local terms energy: -302.261560 where: bonds (distance) C4'-P energy: -95.140 bonds (distance) P-C4' energy: -95.551 flat angles C4'-P-C4' energy: -76.004 flat angles P-C4'-P energy: -54.959 tors. eta vs tors. theta energy: 19.392 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: 10 Temperature: 0.900000 Total energy: -1414.445767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.445767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.445767 (E_RNA) where: Base-Base interactions energy: -827.139 where: short stacking energy: -526.013 Base-Backbone interact. energy: -2.653 local terms energy: -584.654475 where: bonds (distance) C4'-P energy: -118.063 bonds (distance) P-C4' energy: -127.577 flat angles C4'-P-C4' energy: -124.786 flat angles P-C4'-P energy: -84.326 tors. eta vs tors. theta energy: -129.902 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: 5 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1331.010378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.010378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.010378 (E_RNA) where: Base-Base interactions energy: -777.664 where: short stacking energy: -446.864 Base-Backbone interact. energy: -1.547 local terms energy: -551.799552 where: bonds (distance) C4'-P energy: -111.742 bonds (distance) P-C4' energy: -121.644 flat angles C4'-P-C4' energy: -122.451 flat angles P-C4'-P energy: -78.990 tors. eta vs tors. theta energy: -116.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1295.330359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.330359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.330359 (E_RNA) where: Base-Base interactions energy: -751.229 where: short stacking energy: -464.543 Base-Backbone interact. energy: -1.591 local terms energy: -542.509492 where: bonds (distance) C4'-P energy: -109.183 bonds (distance) P-C4' energy: -115.180 flat angles C4'-P-C4' energy: -121.639 flat angles P-C4'-P energy: -81.942 tors. eta vs tors. theta energy: -114.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1096.191564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.191564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.191564 (E_RNA) where: Base-Base interactions energy: -611.481 where: short stacking energy: -364.641 Base-Backbone interact. energy: -2.613 local terms energy: -482.096760 where: bonds (distance) C4'-P energy: -126.993 bonds (distance) P-C4' energy: -116.573 flat angles C4'-P-C4' energy: -103.471 flat angles P-C4'-P energy: -65.245 tors. eta vs tors. theta energy: -69.815 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: 7 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1079.452998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.452998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.452998 (E_RNA) where: Base-Base interactions energy: -595.108 where: short stacking energy: -366.947 Base-Backbone interact. energy: -1.445 local terms energy: -482.900555 where: bonds (distance) C4'-P energy: -111.180 bonds (distance) P-C4' energy: -112.290 flat angles C4'-P-C4' energy: -108.340 flat angles P-C4'-P energy: -69.089 tors. eta vs tors. theta energy: -82.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -877.448098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.448098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.448098 (E_RNA) where: Base-Base interactions energy: -430.274 where: short stacking energy: -296.302 Base-Backbone interact. energy: -1.155 local terms energy: -446.019159 where: bonds (distance) C4'-P energy: -101.111 bonds (distance) P-C4' energy: -125.850 flat angles C4'-P-C4' energy: -107.028 flat angles P-C4'-P energy: -65.116 tors. eta vs tors. theta energy: -46.914 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: 4 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -689.922960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.922960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.922960 (E_RNA) where: Base-Base interactions energy: -293.464 where: short stacking energy: -260.994 Base-Backbone interact. energy: -1.531 local terms energy: -394.928068 where: bonds (distance) C4'-P energy: -120.297 bonds (distance) P-C4' energy: -114.168 flat angles C4'-P-C4' energy: -93.264 flat angles P-C4'-P energy: -56.219 tors. eta vs tors. theta energy: -10.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -736.048463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.048463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.048463 (E_RNA) where: Base-Base interactions energy: -363.333 where: short stacking energy: -220.171 Base-Backbone interact. energy: 4.840 local terms energy: -377.555091 where: bonds (distance) C4'-P energy: -100.037 bonds (distance) P-C4' energy: -99.800 flat angles C4'-P-C4' energy: -90.680 flat angles P-C4'-P energy: -63.049 tors. eta vs tors. theta energy: -23.988 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: 8 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -718.011676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.011676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.011676 (E_RNA) where: Base-Base interactions energy: -366.228 where: short stacking energy: -217.832 Base-Backbone interact. energy: -1.029 local terms energy: -350.754592 where: bonds (distance) C4'-P energy: -88.840 bonds (distance) P-C4' energy: -109.373 flat angles C4'-P-C4' energy: -89.289 flat angles P-C4'-P energy: -44.904 tors. eta vs tors. theta energy: -18.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -489.780116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.780116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.780116 (E_RNA) where: Base-Base interactions energy: -216.475 where: short stacking energy: -159.513 Base-Backbone interact. energy: 5.392 local terms energy: -278.697422 where: bonds (distance) C4'-P energy: -86.815 bonds (distance) P-C4' energy: -85.801 flat angles C4'-P-C4' energy: -78.734 flat angles P-C4'-P energy: -43.240 tors. eta vs tors. theta energy: 15.892 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: 1, replica: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1450.656575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.656575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.656575 (E_RNA) where: Base-Base interactions energy: -856.145 where: short stacking energy: -498.532 Base-Backbone interact. energy: -2.054 local terms energy: -592.457536 where: bonds (distance) C4'-P energy: -129.572 bonds (distance) P-C4' energy: -131.391 flat angles C4'-P-C4' energy: -123.668 flat angles P-C4'-P energy: -79.982 tors. eta vs tors. theta energy: -127.844 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: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1377.726784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.726784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.726784 (E_RNA) where: Base-Base interactions energy: -810.589 where: short stacking energy: -461.395 Base-Backbone interact. energy: -0.553 local terms energy: -566.585003 where: bonds (distance) C4'-P energy: -124.640 bonds (distance) P-C4' energy: -130.553 flat angles C4'-P-C4' energy: -122.165 flat angles P-C4'-P energy: -76.007 tors. eta vs tors. theta energy: -113.220 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: 5 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1249.584854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.584854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.584854 (E_RNA) where: Base-Base interactions energy: -706.402 where: short stacking energy: -399.709 Base-Backbone interact. energy: -4.680 local terms energy: -538.502596 where: bonds (distance) C4'-P energy: -114.189 bonds (distance) P-C4' energy: -129.076 flat angles C4'-P-C4' energy: -134.876 flat angles P-C4'-P energy: -73.916 tors. eta vs tors. theta energy: -86.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1075.693876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.693876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.693876 (E_RNA) where: Base-Base interactions energy: -587.025 where: short stacking energy: -374.967 Base-Backbone interact. energy: -3.011 local terms energy: -485.657349 where: bonds (distance) C4'-P energy: -110.667 bonds (distance) P-C4' energy: -108.430 flat angles C4'-P-C4' energy: -111.399 flat angles P-C4'-P energy: -81.330 tors. eta vs tors. theta energy: -73.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1161.727187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.727187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.727187 (E_RNA) where: Base-Base interactions energy: -658.368 where: short stacking energy: -389.183 Base-Backbone interact. energy: -2.892 local terms energy: -500.466768 where: bonds (distance) C4'-P energy: -113.201 bonds (distance) P-C4' energy: -108.656 flat angles C4'-P-C4' energy: -120.252 flat angles P-C4'-P energy: -71.187 tors. eta vs tors. theta energy: -87.171 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: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -843.786790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.786790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.786790 (E_RNA) where: Base-Base interactions energy: -451.545 where: short stacking energy: -261.669 Base-Backbone interact. energy: 2.228 local terms energy: -394.469317 where: bonds (distance) C4'-P energy: -102.139 bonds (distance) P-C4' energy: -107.738 flat angles C4'-P-C4' energy: -95.243 flat angles P-C4'-P energy: -75.878 tors. eta vs tors. theta energy: -13.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -657.643287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.643287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.643287 (E_RNA) where: Base-Base interactions energy: -305.127 where: short stacking energy: -209.999 Base-Backbone interact. energy: 1.395 local terms energy: -353.910613 where: bonds (distance) C4'-P energy: -97.721 bonds (distance) P-C4' energy: -104.066 flat angles C4'-P-C4' energy: -94.575 flat angles P-C4'-P energy: -49.322 tors. eta vs tors. theta energy: -8.226 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: 8, replica: 9 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -783.105179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.105179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.105179 (E_RNA) where: Base-Base interactions energy: -393.095 where: short stacking energy: -241.770 Base-Backbone interact. energy: 1.958 local terms energy: -391.967830 where: bonds (distance) C4'-P energy: -92.895 bonds (distance) P-C4' energy: -128.351 flat angles C4'-P-C4' energy: -106.884 flat angles P-C4'-P energy: -47.466 tors. eta vs tors. theta energy: -16.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -744.809748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.809748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.809748 (E_RNA) where: Base-Base interactions energy: -386.021 where: short stacking energy: -238.396 Base-Backbone interact. energy: -2.756 local terms energy: -356.033190 where: bonds (distance) C4'-P energy: -103.796 bonds (distance) P-C4' energy: -95.038 flat angles C4'-P-C4' energy: -92.509 flat angles P-C4'-P energy: -49.958 tors. eta vs tors. theta energy: -14.732 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: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -502.778594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.778594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.778594 (E_RNA) where: Base-Base interactions energy: -161.936 where: short stacking energy: -130.047 Base-Backbone interact. energy: -4.770 local terms energy: -336.072312 where: bonds (distance) C4'-P energy: -113.074 bonds (distance) P-C4' energy: -126.421 flat angles C4'-P-C4' energy: -76.850 flat angles P-C4'-P energy: -38.553 tors. eta vs tors. theta energy: 18.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1511.114095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.114095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.114095 (E_RNA) where: Base-Base interactions energy: -882.553 where: short stacking energy: -538.861 Base-Backbone interact. energy: -1.710 local terms energy: -626.851013 where: bonds (distance) C4'-P energy: -125.616 bonds (distance) P-C4' energy: -124.506 flat angles C4'-P-C4' energy: -130.287 flat angles P-C4'-P energy: -88.070 tors. eta vs tors. theta energy: -158.372 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: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1425.682365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.682365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.682365 (E_RNA) where: Base-Base interactions energy: -844.120 where: short stacking energy: -464.035 Base-Backbone interact. energy: -0.525 local terms energy: -581.036993 where: bonds (distance) C4'-P energy: -118.171 bonds (distance) P-C4' energy: -141.931 flat angles C4'-P-C4' energy: -126.314 flat angles P-C4'-P energy: -77.351 tors. eta vs tors. theta energy: -117.269 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: 3, replica: 5 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1291.089141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.089141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.089141 (E_RNA) where: Base-Base interactions energy: -771.577 where: short stacking energy: -401.990 Base-Backbone interact. energy: -2.697 local terms energy: -516.815169 where: bonds (distance) C4'-P energy: -117.424 bonds (distance) P-C4' energy: -120.239 flat angles C4'-P-C4' energy: -118.859 flat angles P-C4'-P energy: -67.773 tors. eta vs tors. theta energy: -92.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1073.625609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.625609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.625609 (E_RNA) where: Base-Base interactions energy: -602.988 where: short stacking energy: -358.198 Base-Backbone interact. energy: -1.176 local terms energy: -469.461146 where: bonds (distance) C4'-P energy: -105.019 bonds (distance) P-C4' energy: -127.522 flat angles C4'-P-C4' energy: -106.458 flat angles P-C4'-P energy: -62.832 tors. eta vs tors. theta energy: -67.630 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: 5, replica: 7 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1197.698338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.698338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.698338 (E_RNA) where: Base-Base interactions energy: -736.887 where: short stacking energy: -369.223 Base-Backbone interact. energy: 3.435 local terms energy: -464.246328 where: bonds (distance) C4'-P energy: -104.265 bonds (distance) P-C4' energy: -105.117 flat angles C4'-P-C4' energy: -104.205 flat angles P-C4'-P energy: -74.694 tors. eta vs tors. theta energy: -75.966 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: 6 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -836.113708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.113708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.113708 (E_RNA) where: Base-Base interactions energy: -424.588 where: short stacking energy: -253.462 Base-Backbone interact. energy: -2.665 local terms energy: -408.859855 where: bonds (distance) C4'-P energy: -112.171 bonds (distance) P-C4' energy: -98.779 flat angles C4'-P-C4' energy: -99.265 flat angles P-C4'-P energy: -75.716 tors. eta vs tors. theta energy: -22.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -798.587819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.587819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.587819 (E_RNA) where: Base-Base interactions energy: -398.006 where: short stacking energy: -243.570 Base-Backbone interact. energy: -3.224 local terms energy: -397.357792 where: bonds (distance) C4'-P energy: -106.484 bonds (distance) P-C4' energy: -95.676 flat angles C4'-P-C4' energy: -108.167 flat angles P-C4'-P energy: -62.187 tors. eta vs tors. theta energy: -24.845 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: 8, replica: 4 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -671.791828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.791828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.791828 (E_RNA) where: Base-Base interactions energy: -306.798 where: short stacking energy: -216.450 Base-Backbone interact. energy: 3.160 local terms energy: -368.153749 where: bonds (distance) C4'-P energy: -106.395 bonds (distance) P-C4' energy: -106.814 flat angles C4'-P-C4' energy: -95.126 flat angles P-C4'-P energy: -47.170 tors. eta vs tors. theta energy: -12.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -671.761030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.761030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.761030 (E_RNA) where: Base-Base interactions energy: -344.626 where: short stacking energy: -246.814 Base-Backbone interact. energy: -0.220 local terms energy: -326.914718 where: bonds (distance) C4'-P energy: -104.742 bonds (distance) P-C4' energy: -98.365 flat angles C4'-P-C4' energy: -81.770 flat angles P-C4'-P energy: -45.494 tors. eta vs tors. theta energy: 3.455 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: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -493.144392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.144392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.144392 (E_RNA) where: Base-Base interactions energy: -206.865 where: short stacking energy: -128.702 Base-Backbone interact. energy: 4.707 local terms energy: -290.985754 where: bonds (distance) C4'-P energy: -91.812 bonds (distance) P-C4' energy: -98.323 flat angles C4'-P-C4' energy: -83.722 flat angles P-C4'-P energy: -45.282 tors. eta vs tors. theta energy: 28.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1471.161422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.161422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.161422 (E_RNA) where: Base-Base interactions energy: -858.089 where: short stacking energy: -514.755 Base-Backbone interact. energy: 1.521 local terms energy: -614.593346 where: bonds (distance) C4'-P energy: -131.969 bonds (distance) P-C4' energy: -132.830 flat angles C4'-P-C4' energy: -110.483 flat angles P-C4'-P energy: -96.050 tors. eta vs tors. theta energy: -143.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1542.516966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.516966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.516966 (E_RNA) where: Base-Base interactions energy: -974.751 where: short stacking energy: -506.238 Base-Backbone interact. energy: -1.290 local terms energy: -566.476095 where: bonds (distance) C4'-P energy: -121.465 bonds (distance) P-C4' energy: -122.746 flat angles C4'-P-C4' energy: -119.351 flat angles P-C4'-P energy: -76.652 tors. eta vs tors. theta energy: -126.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1367.141642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.141642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.141642 (E_RNA) where: Base-Base interactions energy: -834.872 where: short stacking energy: -452.048 Base-Backbone interact. energy: 1.884 local terms energy: -534.153102 where: bonds (distance) C4'-P energy: -119.436 bonds (distance) P-C4' energy: -104.430 flat angles C4'-P-C4' energy: -129.550 flat angles P-C4'-P energy: -69.773 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: 4, replica: 7 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1295.764066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.764066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.764066 (E_RNA) where: Base-Base interactions energy: -770.696 where: short stacking energy: -408.315 Base-Backbone interact. energy: -6.999 local terms energy: -518.068331 where: bonds (distance) C4'-P energy: -104.782 bonds (distance) P-C4' energy: -117.224 flat angles C4'-P-C4' energy: -120.360 flat angles P-C4'-P energy: -85.676 tors. eta vs tors. theta energy: -90.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1056.309271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.309271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.309271 (E_RNA) where: Base-Base interactions energy: -594.406 where: short stacking energy: -348.959 Base-Backbone interact. energy: -1.653 local terms energy: -460.250782 where: bonds (distance) C4'-P energy: -97.876 bonds (distance) P-C4' energy: -104.699 flat angles C4'-P-C4' energy: -115.497 flat angles P-C4'-P energy: -71.638 tors. eta vs tors. theta energy: -70.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -884.037886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.037886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.037886 (E_RNA) where: Base-Base interactions energy: -470.722 where: short stacking energy: -283.553 Base-Backbone interact. energy: 1.249 local terms energy: -414.564504 where: bonds (distance) C4'-P energy: -104.735 bonds (distance) P-C4' energy: -107.234 flat angles C4'-P-C4' energy: -99.605 flat angles P-C4'-P energy: -66.960 tors. eta vs tors. theta energy: -36.031 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: 9 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -806.828697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.828697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.828697 (E_RNA) where: Base-Base interactions energy: -419.065 where: short stacking energy: -267.679 Base-Backbone interact. energy: 3.556 local terms energy: -391.319593 where: bonds (distance) C4'-P energy: -110.564 bonds (distance) P-C4' energy: -106.040 flat angles C4'-P-C4' energy: -91.723 flat angles P-C4'-P energy: -65.223 tors. eta vs tors. theta energy: -17.769 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: 8, replica: 8 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -740.005276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.005276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.005276 (E_RNA) where: Base-Base interactions energy: -350.185 where: short stacking energy: -207.434 Base-Backbone interact. energy: -0.586 local terms energy: -389.234364 where: bonds (distance) C4'-P energy: -104.089 bonds (distance) P-C4' energy: -115.294 flat angles C4'-P-C4' energy: -87.967 flat angles P-C4'-P energy: -70.761 tors. eta vs tors. theta energy: -11.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -655.787365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.787365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.787365 (E_RNA) where: Base-Base interactions energy: -290.017 where: short stacking energy: -190.830 Base-Backbone interact. energy: -0.934 local terms energy: -364.836215 where: bonds (distance) C4'-P energy: -96.661 bonds (distance) P-C4' energy: -112.723 flat angles C4'-P-C4' energy: -97.681 flat angles P-C4'-P energy: -57.272 tors. eta vs tors. theta energy: -0.500 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: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -490.351811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.351811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.351811 (E_RNA) where: Base-Base interactions energy: -176.208 where: short stacking energy: -160.667 Base-Backbone interact. energy: 2.730 local terms energy: -316.873185 where: bonds (distance) C4'-P energy: -91.247 bonds (distance) P-C4' energy: -90.423 flat angles C4'-P-C4' energy: -66.892 flat angles P-C4'-P energy: -63.947 tors. eta vs tors. theta energy: -4.364 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: 3 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1614.098563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.098563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.098563 (E_RNA) where: Base-Base interactions energy: -1010.373 where: short stacking energy: -529.089 Base-Backbone interact. energy: -3.585 local terms energy: -600.140669 where: bonds (distance) C4'-P energy: -122.615 bonds (distance) P-C4' energy: -127.785 flat angles C4'-P-C4' energy: -132.212 flat angles P-C4'-P energy: -83.493 tors. eta vs tors. theta energy: -134.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1466.739952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.739952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.739952 (E_RNA) where: Base-Base interactions energy: -855.595 where: short stacking energy: -515.076 Base-Backbone interact. energy: -0.584 local terms energy: -610.560389 where: bonds (distance) C4'-P energy: -129.837 bonds (distance) P-C4' energy: -119.824 flat angles C4'-P-C4' energy: -129.724 flat angles P-C4'-P energy: -88.041 tors. eta vs tors. theta energy: -143.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1517.362512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.362512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.362512 (E_RNA) where: Base-Base interactions energy: -933.223 where: short stacking energy: -486.254 Base-Backbone interact. energy: 0.212 local terms energy: -584.351386 where: bonds (distance) C4'-P energy: -126.939 bonds (distance) P-C4' energy: -119.406 flat angles C4'-P-C4' energy: -128.574 flat angles P-C4'-P energy: -93.782 tors. eta vs tors. theta energy: -115.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1333.802630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.802630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.802630 (E_RNA) where: Base-Base interactions energy: -792.228 where: short stacking energy: -432.661 Base-Backbone interact. energy: -4.003 local terms energy: -537.571572 where: bonds (distance) C4'-P energy: -113.775 bonds (distance) P-C4' energy: -121.054 flat angles C4'-P-C4' energy: -115.679 flat angles P-C4'-P energy: -83.684 tors. eta vs tors. theta energy: -103.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1143.628406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.628406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.628406 (E_RNA) where: Base-Base interactions energy: -652.629 where: short stacking energy: -371.086 Base-Backbone interact. energy: -1.312 local terms energy: -489.687589 where: bonds (distance) C4'-P energy: -95.802 bonds (distance) P-C4' energy: -112.526 flat angles C4'-P-C4' energy: -121.195 flat angles P-C4'-P energy: -72.743 tors. eta vs tors. theta energy: -87.421 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: 6 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -933.487281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.487281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.487281 (E_RNA) where: Base-Base interactions energy: -520.849 where: short stacking energy: -277.787 Base-Backbone interact. energy: -1.110 local terms energy: -411.528143 where: bonds (distance) C4'-P energy: -104.465 bonds (distance) P-C4' energy: -111.367 flat angles C4'-P-C4' energy: -109.763 flat angles P-C4'-P energy: -60.837 tors. eta vs tors. theta energy: -25.096 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: 9 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -815.373186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.373186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.373186 (E_RNA) where: Base-Base interactions energy: -418.037 where: short stacking energy: -258.011 Base-Backbone interact. energy: -1.082 local terms energy: -396.254291 where: bonds (distance) C4'-P energy: -98.674 bonds (distance) P-C4' energy: -112.213 flat angles C4'-P-C4' energy: -109.683 flat angles P-C4'-P energy: -52.955 tors. eta vs tors. theta energy: -22.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -752.526240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.526240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.526240 (E_RNA) where: Base-Base interactions energy: -376.610 where: short stacking energy: -229.415 Base-Backbone interact. energy: 3.712 local terms energy: -379.628111 where: bonds (distance) C4'-P energy: -112.991 bonds (distance) P-C4' energy: -106.483 flat angles C4'-P-C4' energy: -92.575 flat angles P-C4'-P energy: -47.353 tors. eta vs tors. theta energy: -20.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -647.042078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.042078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.042078 (E_RNA) where: Base-Base interactions energy: -347.938 where: short stacking energy: -200.510 Base-Backbone interact. energy: 3.966 local terms energy: -303.070067 where: bonds (distance) C4'-P energy: -60.400 bonds (distance) P-C4' energy: -102.594 flat angles C4'-P-C4' energy: -91.285 flat angles P-C4'-P energy: -59.074 tors. eta vs tors. theta energy: 10.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -558.544822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.544822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.544822 (E_RNA) where: Base-Base interactions energy: -256.262 where: short stacking energy: -168.658 Base-Backbone interact. energy: -0.972 local terms energy: -301.311293 where: bonds (distance) C4'-P energy: -80.214 bonds (distance) P-C4' energy: -99.943 flat angles C4'-P-C4' energy: -93.992 flat angles P-C4'-P energy: -48.907 tors. eta vs tors. theta energy: 21.744 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: 1, replica: 3 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1662.248824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.248824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.248824 (E_RNA) where: Base-Base interactions energy: -1036.696 where: short stacking energy: -544.560 Base-Backbone interact. energy: -1.833 local terms energy: -623.719509 where: bonds (distance) C4'-P energy: -132.178 bonds (distance) P-C4' energy: -128.408 flat angles C4'-P-C4' energy: -130.123 flat angles P-C4'-P energy: -90.615 tors. eta vs tors. theta energy: -142.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1625.763864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.763864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.763864 (E_RNA) where: Base-Base interactions energy: -1011.095 where: short stacking energy: -519.216 Base-Backbone interact. energy: -1.099 local terms energy: -613.569949 where: bonds (distance) C4'-P energy: -127.906 bonds (distance) P-C4' energy: -134.600 flat angles C4'-P-C4' energy: -137.932 flat angles P-C4'-P energy: -76.819 tors. eta vs tors. theta energy: -136.313 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: 3, replica: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1360.160472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.160472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.160472 (E_RNA) where: Base-Base interactions energy: -799.313 where: short stacking energy: -455.624 Base-Backbone interact. energy: 0.887 local terms energy: -561.734523 where: bonds (distance) C4'-P energy: -118.834 bonds (distance) P-C4' energy: -113.495 flat angles C4'-P-C4' energy: -129.313 flat angles P-C4'-P energy: -74.853 tors. eta vs tors. theta energy: -125.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1399.835407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.835407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.835407 (E_RNA) where: Base-Base interactions energy: -890.306 where: short stacking energy: -420.315 Base-Backbone interact. energy: -0.762 local terms energy: -508.766733 where: bonds (distance) C4'-P energy: -107.350 bonds (distance) P-C4' energy: -121.635 flat angles C4'-P-C4' energy: -112.439 flat angles P-C4'-P energy: -73.336 tors. eta vs tors. theta energy: -94.008 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: 5, replica: 1 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1149.929013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.929013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.929013 (E_RNA) where: Base-Base interactions energy: -653.311 where: short stacking energy: -360.747 Base-Backbone interact. energy: -0.561 local terms energy: -496.056956 where: bonds (distance) C4'-P energy: -117.782 bonds (distance) P-C4' energy: -119.121 flat angles C4'-P-C4' energy: -110.681 flat angles P-C4'-P energy: -71.530 tors. eta vs tors. theta energy: -76.942 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: 6 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1047.891728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.891728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.891728 (E_RNA) where: Base-Base interactions energy: -601.235 where: short stacking energy: -321.951 Base-Backbone interact. energy: 5.102 local terms energy: -451.758629 where: bonds (distance) C4'-P energy: -93.127 bonds (distance) P-C4' energy: -119.995 flat angles C4'-P-C4' energy: -120.352 flat angles P-C4'-P energy: -71.621 tors. eta vs tors. theta energy: -46.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -943.844708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.844708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.844708 (E_RNA) where: Base-Base interactions energy: -557.350 where: short stacking energy: -276.342 Base-Backbone interact. energy: -2.643 local terms energy: -383.852176 where: bonds (distance) C4'-P energy: -113.437 bonds (distance) P-C4' energy: -100.001 flat angles C4'-P-C4' energy: -82.221 flat angles P-C4'-P energy: -62.909 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: 8, replica: 8 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -869.965541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.965541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.965541 (E_RNA) where: Base-Base interactions energy: -505.505 where: short stacking energy: -284.697 Base-Backbone interact. energy: -2.182 local terms energy: -362.279142 where: bonds (distance) C4'-P energy: -96.547 bonds (distance) P-C4' energy: -103.018 flat angles C4'-P-C4' energy: -99.868 flat angles P-C4'-P energy: -35.426 tors. eta vs tors. theta energy: -27.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -636.611974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.611974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.611974 (E_RNA) where: Base-Base interactions energy: -311.779 where: short stacking energy: -198.188 Base-Backbone interact. energy: 4.723 local terms energy: -329.556218 where: bonds (distance) C4'-P energy: -92.909 bonds (distance) P-C4' energy: -113.742 flat angles C4'-P-C4' energy: -85.323 flat angles P-C4'-P energy: -45.942 tors. eta vs tors. theta energy: 8.360 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: 10, replica: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -581.678251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.678251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.678251 (E_RNA) where: Base-Base interactions energy: -277.125 where: short stacking energy: -167.479 Base-Backbone interact. energy: 6.044 local terms energy: -310.596703 where: bonds (distance) C4'-P energy: -95.801 bonds (distance) P-C4' energy: -92.335 flat angles C4'-P-C4' energy: -88.416 flat angles P-C4'-P energy: -52.341 tors. eta vs tors. theta energy: 18.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1675.398915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.398915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.398915 (E_RNA) where: Base-Base interactions energy: -1059.263 where: short stacking energy: -545.123 Base-Backbone interact. energy: -2.628 local terms energy: -613.507915 where: bonds (distance) C4'-P energy: -129.665 bonds (distance) P-C4' energy: -122.227 flat angles C4'-P-C4' energy: -132.833 flat angles P-C4'-P energy: -97.957 tors. eta vs tors. theta energy: -130.825 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: 7 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1649.649121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.649121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.649121 (E_RNA) where: Base-Base interactions energy: -1050.876 where: short stacking energy: -531.129 Base-Backbone interact. energy: -2.945 local terms energy: -595.827912 where: bonds (distance) C4'-P energy: -126.081 bonds (distance) P-C4' energy: -124.588 flat angles C4'-P-C4' energy: -124.683 flat angles P-C4'-P energy: -82.035 tors. eta vs tors. theta energy: -138.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1409.273196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.273196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.273196 (E_RNA) where: Base-Base interactions energy: -870.164 where: short stacking energy: -465.796 Base-Backbone interact. energy: -1.862 local terms energy: -537.246876 where: bonds (distance) C4'-P energy: -105.531 bonds (distance) P-C4' energy: -132.896 flat angles C4'-P-C4' energy: -122.284 flat angles P-C4'-P energy: -63.056 tors. eta vs tors. theta energy: -113.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1429.016419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.016419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.016419 (E_RNA) where: Base-Base interactions energy: -926.041 where: short stacking energy: -416.088 Base-Backbone interact. energy: -2.052 local terms energy: -500.923744 where: bonds (distance) C4'-P energy: -114.510 bonds (distance) P-C4' energy: -111.964 flat angles C4'-P-C4' energy: -108.244 flat angles P-C4'-P energy: -66.420 tors. eta vs tors. theta energy: -99.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1152.877847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.877847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.877847 (E_RNA) where: Base-Base interactions energy: -656.183 where: short stacking energy: -367.764 Base-Backbone interact. energy: 1.032 local terms energy: -497.726162 where: bonds (distance) C4'-P energy: -102.992 bonds (distance) P-C4' energy: -116.818 flat angles C4'-P-C4' energy: -134.054 flat angles P-C4'-P energy: -72.844 tors. eta vs tors. theta energy: -71.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1028.657882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.657882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.657882 (E_RNA) where: Base-Base interactions energy: -588.990 where: short stacking energy: -323.259 Base-Backbone interact. energy: -0.847 local terms energy: -438.821162 where: bonds (distance) C4'-P energy: -97.819 bonds (distance) P-C4' energy: -108.049 flat angles C4'-P-C4' energy: -105.568 flat angles P-C4'-P energy: -80.112 tors. eta vs tors. theta energy: -47.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -897.970524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.970524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.970524 (E_RNA) where: Base-Base interactions energy: -481.897 where: short stacking energy: -267.593 Base-Backbone interact. energy: -0.782 local terms energy: -415.291509 where: bonds (distance) C4'-P energy: -123.006 bonds (distance) P-C4' energy: -90.074 flat angles C4'-P-C4' energy: -95.969 flat angles P-C4'-P energy: -60.615 tors. eta vs tors. theta energy: -45.627 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: 9 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -907.331562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.331562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.331562 (E_RNA) where: Base-Base interactions energy: -546.950 where: short stacking energy: -282.161 Base-Backbone interact. energy: -3.616 local terms energy: -356.765395 where: bonds (distance) C4'-P energy: -78.128 bonds (distance) P-C4' energy: -101.514 flat angles C4'-P-C4' energy: -76.946 flat angles P-C4'-P energy: -65.504 tors. eta vs tors. theta energy: -34.674 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: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -622.056427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.056427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.056427 (E_RNA) where: Base-Base interactions energy: -274.566 where: short stacking energy: -176.525 Base-Backbone interact. energy: -0.264 local terms energy: -347.226329 where: bonds (distance) C4'-P energy: -87.207 bonds (distance) P-C4' energy: -119.248 flat angles C4'-P-C4' energy: -98.983 flat angles P-C4'-P energy: -51.684 tors. eta vs tors. theta energy: 9.895 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: 10, replica: 4 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -619.614023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.614023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.614023 (E_RNA) where: Base-Base interactions energy: -285.061 where: short stacking energy: -187.729 Base-Backbone interact. energy: 6.419 local terms energy: -340.971917 where: bonds (distance) C4'-P energy: -98.886 bonds (distance) P-C4' energy: -93.477 flat angles C4'-P-C4' energy: -96.253 flat angles P-C4'-P energy: -46.467 tors. eta vs tors. theta energy: -5.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1683.799414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.799414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.799414 (E_RNA) where: Base-Base interactions energy: -1073.016 where: short stacking energy: -530.541 Base-Backbone interact. energy: -2.446 local terms energy: -608.337710 where: bonds (distance) C4'-P energy: -115.854 bonds (distance) P-C4' energy: -118.747 flat angles C4'-P-C4' energy: -137.317 flat angles P-C4'-P energy: -85.828 tors. eta vs tors. theta energy: -150.591 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: 7 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1650.522887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.522887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.522887 (E_RNA) where: Base-Base interactions energy: -1069.110 where: short stacking energy: -523.473 Base-Backbone interact. energy: -0.234 local terms energy: -581.179019 where: bonds (distance) C4'-P energy: -133.770 bonds (distance) P-C4' energy: -119.638 flat angles C4'-P-C4' energy: -126.782 flat angles P-C4'-P energy: -74.387 tors. eta vs tors. theta energy: -126.604 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: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1411.112614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.112614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.112614 (E_RNA) where: Base-Base interactions energy: -864.566 where: short stacking energy: -453.793 Base-Backbone interact. energy: -2.952 local terms energy: -543.595169 where: bonds (distance) C4'-P energy: -123.645 bonds (distance) P-C4' energy: -115.785 flat angles C4'-P-C4' energy: -106.910 flat angles P-C4'-P energy: -78.267 tors. eta vs tors. theta energy: -118.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1441.579562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.579562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.579562 (E_RNA) where: Base-Base interactions energy: -920.980 where: short stacking energy: -421.797 Base-Backbone interact. energy: -1.669 local terms energy: -518.930086 where: bonds (distance) C4'-P energy: -105.028 bonds (distance) P-C4' energy: -115.927 flat angles C4'-P-C4' energy: -122.939 flat angles P-C4'-P energy: -68.200 tors. eta vs tors. theta energy: -106.836 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: 5, replica: 1 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1175.157915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.157915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.157915 (E_RNA) where: Base-Base interactions energy: -693.035 where: short stacking energy: -393.587 Base-Backbone interact. energy: -1.848 local terms energy: -480.274027 where: bonds (distance) C4'-P energy: -104.967 bonds (distance) P-C4' energy: -115.692 flat angles C4'-P-C4' energy: -107.601 flat angles P-C4'-P energy: -76.283 tors. eta vs tors. theta energy: -75.730 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: 6, replica: 6 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -977.087422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.087422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.087422 (E_RNA) where: Base-Base interactions energy: -530.562 where: short stacking energy: -317.224 Base-Backbone interact. energy: 1.402 local terms energy: -447.928048 where: bonds (distance) C4'-P energy: -102.013 bonds (distance) P-C4' energy: -118.706 flat angles C4'-P-C4' energy: -107.723 flat angles P-C4'-P energy: -69.018 tors. eta vs tors. theta energy: -50.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -997.821157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.821157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.821157 (E_RNA) where: Base-Base interactions energy: -592.126 where: short stacking energy: -305.840 Base-Backbone interact. energy: -0.567 local terms energy: -405.127877 where: bonds (distance) C4'-P energy: -109.499 bonds (distance) P-C4' energy: -103.769 flat angles C4'-P-C4' energy: -106.540 flat angles P-C4'-P energy: -48.508 tors. eta vs tors. theta energy: -36.811 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: 8, replica: 9 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -977.651852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.651852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.651852 (E_RNA) where: Base-Base interactions energy: -582.960 where: short stacking energy: -316.956 Base-Backbone interact. energy: -0.627 local terms energy: -394.064076 where: bonds (distance) C4'-P energy: -83.460 bonds (distance) P-C4' energy: -92.750 flat angles C4'-P-C4' energy: -102.689 flat angles P-C4'-P energy: -58.920 tors. eta vs tors. theta energy: -56.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -692.940678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.940678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.940678 (E_RNA) where: Base-Base interactions energy: -330.182 where: short stacking energy: -205.322 Base-Backbone interact. energy: 0.112 local terms energy: -362.870682 where: bonds (distance) C4'-P energy: -87.402 bonds (distance) P-C4' energy: -114.568 flat angles C4'-P-C4' energy: -105.129 flat angles P-C4'-P energy: -49.775 tors. eta vs tors. theta energy: -5.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -613.599366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.599366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.599366 (E_RNA) where: Base-Base interactions energy: -285.745 where: short stacking energy: -184.136 Base-Backbone interact. energy: -3.774 local terms energy: -324.080645 where: bonds (distance) C4'-P energy: -93.072 bonds (distance) P-C4' energy: -88.570 flat angles C4'-P-C4' energy: -92.540 flat angles P-C4'-P energy: -56.236 tors. eta vs tors. theta energy: 6.337 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: 3 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1702.846082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.846082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.846082 (E_RNA) where: Base-Base interactions energy: -1096.038 where: short stacking energy: -579.818 Base-Backbone interact. energy: -0.790 local terms energy: -606.018320 where: bonds (distance) C4'-P energy: -115.998 bonds (distance) P-C4' energy: -122.481 flat angles C4'-P-C4' energy: -132.524 flat angles P-C4'-P energy: -79.835 tors. eta vs tors. theta energy: -155.181 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: 7 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1702.563030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.563030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.563030 (E_RNA) where: Base-Base interactions energy: -1083.431 where: short stacking energy: -559.539 Base-Backbone interact. energy: -2.466 local terms energy: -616.666762 where: bonds (distance) C4'-P energy: -117.486 bonds (distance) P-C4' energy: -124.073 flat angles C4'-P-C4' energy: -136.623 flat angles P-C4'-P energy: -90.349 tors. eta vs tors. theta energy: -148.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1411.322385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.322385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.322385 (E_RNA) where: Base-Base interactions energy: -858.633 where: short stacking energy: -444.509 Base-Backbone interact. energy: -0.354 local terms energy: -552.334922 where: bonds (distance) C4'-P energy: -120.375 bonds (distance) P-C4' energy: -128.646 flat angles C4'-P-C4' energy: -120.431 flat angles P-C4'-P energy: -78.143 tors. eta vs tors. theta energy: -104.740 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: 4, replica: 5 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1440.627343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.627343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.627343 (E_RNA) where: Base-Base interactions energy: -888.980 where: short stacking energy: -421.728 Base-Backbone interact. energy: -1.623 local terms energy: -550.023955 where: bonds (distance) C4'-P energy: -133.343 bonds (distance) P-C4' energy: -114.664 flat angles C4'-P-C4' energy: -121.744 flat angles P-C4'-P energy: -77.342 tors. eta vs tors. theta energy: -102.931 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: 5, replica: 1 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1190.063962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.063962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.063962 (E_RNA) where: Base-Base interactions energy: -681.126 where: short stacking energy: -376.147 Base-Backbone interact. energy: -2.308 local terms energy: -506.629302 where: bonds (distance) C4'-P energy: -104.243 bonds (distance) P-C4' energy: -119.721 flat angles C4'-P-C4' energy: -121.362 flat angles P-C4'-P energy: -77.469 tors. eta vs tors. theta energy: -83.834 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: 6, replica: 6 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1048.811608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.811608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.811608 (E_RNA) where: Base-Base interactions energy: -601.606 where: short stacking energy: -308.903 Base-Backbone interact. energy: -2.000 local terms energy: -445.206186 where: bonds (distance) C4'-P energy: -114.059 bonds (distance) P-C4' energy: -108.865 flat angles C4'-P-C4' energy: -104.150 flat angles P-C4'-P energy: -78.816 tors. eta vs tors. theta energy: -39.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1012.291465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.291465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.291465 (E_RNA) where: Base-Base interactions energy: -595.630 where: short stacking energy: -311.282 Base-Backbone interact. energy: -1.126 local terms energy: -415.535234 where: bonds (distance) C4'-P energy: -117.509 bonds (distance) P-C4' energy: -112.019 flat angles C4'-P-C4' energy: -108.773 flat angles P-C4'-P energy: -49.030 tors. eta vs tors. theta energy: -28.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -1054.388785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.388785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.388785 (E_RNA) where: Base-Base interactions energy: -640.520 where: short stacking energy: -305.748 Base-Backbone interact. energy: 1.854 local terms energy: -415.722922 where: bonds (distance) C4'-P energy: -87.811 bonds (distance) P-C4' energy: -94.808 flat angles C4'-P-C4' energy: -106.924 flat angles P-C4'-P energy: -70.927 tors. eta vs tors. theta energy: -55.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -672.008783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.008783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.008783 (E_RNA) where: Base-Base interactions energy: -320.518 where: short stacking energy: -187.260 Base-Backbone interact. energy: -1.162 local terms energy: -350.328892 where: bonds (distance) C4'-P energy: -96.996 bonds (distance) P-C4' energy: -103.580 flat angles C4'-P-C4' energy: -79.946 flat angles P-C4'-P energy: -56.270 tors. eta vs tors. theta energy: -13.537 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: 10, replica: 4 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -606.667389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.667389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.667389 (E_RNA) where: Base-Base interactions energy: -269.695 where: short stacking energy: -164.719 Base-Backbone interact. energy: 1.269 local terms energy: -338.241882 where: bonds (distance) C4'-P energy: -101.652 bonds (distance) P-C4' energy: -94.525 flat angles C4'-P-C4' energy: -87.228 flat angles P-C4'-P energy: -53.817 tors. eta vs tors. theta energy: -1.021 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: 1, replica: 3 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1706.052705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.052705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.052705 (E_RNA) where: Base-Base interactions energy: -1101.406 where: short stacking energy: -582.874 Base-Backbone interact. energy: 0.664 local terms energy: -605.310870 where: bonds (distance) C4'-P energy: -120.855 bonds (distance) P-C4' energy: -131.886 flat angles C4'-P-C4' energy: -131.010 flat angles P-C4'-P energy: -83.067 tors. eta vs tors. theta energy: -138.493 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: 2, replica: 7 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1689.617407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.617407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.617407 (E_RNA) where: Base-Base interactions energy: -1087.241 where: short stacking energy: -561.871 Base-Backbone interact. energy: -3.993 local terms energy: -598.383951 where: bonds (distance) C4'-P energy: -107.878 bonds (distance) P-C4' energy: -120.316 flat angles C4'-P-C4' energy: -124.940 flat angles P-C4'-P energy: -83.829 tors. eta vs tors. theta energy: -161.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1447.221893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.221893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.221893 (E_RNA) where: Base-Base interactions energy: -897.546 where: short stacking energy: -463.885 Base-Backbone interact. energy: -1.932 local terms energy: -547.744412 where: bonds (distance) C4'-P energy: -116.204 bonds (distance) P-C4' energy: -120.222 flat angles C4'-P-C4' energy: -122.317 flat angles P-C4'-P energy: -72.275 tors. eta vs tors. theta energy: -116.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1466.673666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.673666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.673666 (E_RNA) where: Base-Base interactions energy: -953.266 where: short stacking energy: -449.534 Base-Backbone interact. energy: 5.862 local terms energy: -519.269624 where: bonds (distance) C4'-P energy: -121.532 bonds (distance) P-C4' energy: -105.760 flat angles C4'-P-C4' energy: -120.562 flat angles P-C4'-P energy: -82.439 tors. eta vs tors. theta energy: -88.977 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: 1 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1230.031001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.031001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.031001 (E_RNA) where: Base-Base interactions energy: -715.461 where: short stacking energy: -354.558 Base-Backbone interact. energy: -3.171 local terms energy: -511.399514 where: bonds (distance) C4'-P energy: -113.607 bonds (distance) P-C4' energy: -122.551 flat angles C4'-P-C4' energy: -102.543 flat angles P-C4'-P energy: -84.881 tors. eta vs tors. theta energy: -87.818 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: 8 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1171.700735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.700735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.700735 (E_RNA) where: Base-Base interactions energy: -744.844 where: short stacking energy: -357.880 Base-Backbone interact. energy: 4.211 local terms energy: -431.067884 where: bonds (distance) C4'-P energy: -112.038 bonds (distance) P-C4' energy: -93.335 flat angles C4'-P-C4' energy: -102.156 flat angles P-C4'-P energy: -66.952 tors. eta vs tors. theta energy: -56.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1023.168960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.168960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.168960 (E_RNA) where: Base-Base interactions energy: -594.249 where: short stacking energy: -341.100 Base-Backbone interact. energy: -1.226 local terms energy: -427.694096 where: bonds (distance) C4'-P energy: -88.885 bonds (distance) P-C4' energy: -89.878 flat angles C4'-P-C4' energy: -121.537 flat angles P-C4'-P energy: -67.165 tors. eta vs tors. theta energy: -60.230 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: 9 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1042.781580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.781580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.781580 (E_RNA) where: Base-Base interactions energy: -651.997 where: short stacking energy: -322.790 Base-Backbone interact. energy: -0.075 local terms energy: -390.709679 where: bonds (distance) C4'-P energy: -96.871 bonds (distance) P-C4' energy: -86.018 flat angles C4'-P-C4' energy: -82.717 flat angles P-C4'-P energy: -57.434 tors. eta vs tors. theta energy: -67.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -620.524634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.524634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.524634 (E_RNA) where: Base-Base interactions energy: -277.061 where: short stacking energy: -195.897 Base-Backbone interact. energy: 1.551 local terms energy: -345.015075 where: bonds (distance) C4'-P energy: -98.250 bonds (distance) P-C4' energy: -115.913 flat angles C4'-P-C4' energy: -83.261 flat angles P-C4'-P energy: -44.319 tors. eta vs tors. theta energy: -3.272 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: 4 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -565.998844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.998844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.998844 (E_RNA) where: Base-Base interactions energy: -260.137 where: short stacking energy: -165.130 Base-Backbone interact. energy: 4.132 local terms energy: -309.993762 where: bonds (distance) C4'-P energy: -74.767 bonds (distance) P-C4' energy: -114.292 flat angles C4'-P-C4' energy: -76.208 flat angles P-C4'-P energy: -60.604 tors. eta vs tors. theta energy: 15.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1766.266927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.266927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.266927 (E_RNA) where: Base-Base interactions energy: -1160.941 where: short stacking energy: -533.824 Base-Backbone interact. energy: -2.180 local terms energy: -603.146380 where: bonds (distance) C4'-P energy: -118.949 bonds (distance) P-C4' energy: -132.114 flat angles C4'-P-C4' energy: -130.689 flat angles P-C4'-P energy: -84.369 tors. eta vs tors. theta energy: -137.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1600.981637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.981637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.981637 (E_RNA) where: Base-Base interactions energy: -1017.710 where: short stacking energy: -492.752 Base-Backbone interact. energy: -2.970 local terms energy: -580.302099 where: bonds (distance) C4'-P energy: -128.922 bonds (distance) P-C4' energy: -126.725 flat angles C4'-P-C4' energy: -123.428 flat angles P-C4'-P energy: -79.695 tors. eta vs tors. theta energy: -121.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1574.338421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.338421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.338421 (E_RNA) where: Base-Base interactions energy: -1000.953 where: short stacking energy: -496.155 Base-Backbone interact. energy: -0.766 local terms energy: -572.619415 where: bonds (distance) C4'-P energy: -116.336 bonds (distance) P-C4' energy: -122.938 flat angles C4'-P-C4' energy: -124.436 flat angles P-C4'-P energy: -78.122 tors. eta vs tors. theta energy: -130.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1360.675195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.675195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.675195 (E_RNA) where: Base-Base interactions energy: -853.405 where: short stacking energy: -437.192 Base-Backbone interact. energy: 0.622 local terms energy: -507.892165 where: bonds (distance) C4'-P energy: -102.991 bonds (distance) P-C4' energy: -131.608 flat angles C4'-P-C4' energy: -121.119 flat angles P-C4'-P energy: -66.368 tors. eta vs tors. theta energy: -85.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1282.975598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.975598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.975598 (E_RNA) where: Base-Base interactions energy: -791.861 where: short stacking energy: -386.314 Base-Backbone interact. energy: 1.827 local terms energy: -492.941258 where: bonds (distance) C4'-P energy: -118.641 bonds (distance) P-C4' energy: -117.026 flat angles C4'-P-C4' energy: -108.125 flat angles P-C4'-P energy: -66.188 tors. eta vs tors. theta energy: -82.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1132.646937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.646937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.646937 (E_RNA) where: Base-Base interactions energy: -688.528 where: short stacking energy: -346.706 Base-Backbone interact. energy: -2.494 local terms energy: -441.625460 where: bonds (distance) C4'-P energy: -104.452 bonds (distance) P-C4' energy: -105.031 flat angles C4'-P-C4' energy: -110.371 flat angles P-C4'-P energy: -60.060 tors. eta vs tors. theta energy: -61.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1190.168277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.168277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.168277 (E_RNA) where: Base-Base interactions energy: -742.462 where: short stacking energy: -369.055 Base-Backbone interact. energy: 1.087 local terms energy: -448.793667 where: bonds (distance) C4'-P energy: -100.308 bonds (distance) P-C4' energy: -102.922 flat angles C4'-P-C4' energy: -100.817 flat angles P-C4'-P energy: -66.705 tors. eta vs tors. theta energy: -78.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -953.021831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.021831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.021831 (E_RNA) where: Base-Base interactions energy: -577.135 where: short stacking energy: -269.903 Base-Backbone interact. energy: -2.135 local terms energy: -373.751913 where: bonds (distance) C4'-P energy: -91.478 bonds (distance) P-C4' energy: -87.835 flat angles C4'-P-C4' energy: -98.202 flat angles P-C4'-P energy: -60.050 tors. eta vs tors. theta energy: -36.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -717.405000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.405000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.405000 (E_RNA) where: Base-Base interactions energy: -361.723 where: short stacking energy: -183.431 Base-Backbone interact. energy: -0.138 local terms energy: -355.544074 where: bonds (distance) C4'-P energy: -112.905 bonds (distance) P-C4' energy: -89.401 flat angles C4'-P-C4' energy: -80.042 flat angles P-C4'-P energy: -71.837 tors. eta vs tors. theta energy: -1.360 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: 10, replica: 4 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -546.559248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.559248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.559248 (E_RNA) where: Base-Base interactions energy: -251.023 where: short stacking energy: -165.251 Base-Backbone interact. energy: 6.130 local terms energy: -301.665849 where: bonds (distance) C4'-P energy: -102.140 bonds (distance) P-C4' energy: -106.849 flat angles C4'-P-C4' energy: -73.875 flat angles P-C4'-P energy: -45.155 tors. eta vs tors. theta energy: 26.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1786.525649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.525649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.525649 (E_RNA) where: Base-Base interactions energy: -1157.630 where: short stacking energy: -567.524 Base-Backbone interact. energy: -2.383 local terms energy: -626.512981 where: bonds (distance) C4'-P energy: -128.556 bonds (distance) P-C4' energy: -120.688 flat angles C4'-P-C4' energy: -140.244 flat angles P-C4'-P energy: -85.045 tors. eta vs tors. theta energy: -151.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1658.022239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.022239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.022239 (E_RNA) where: Base-Base interactions energy: -1052.248 where: short stacking energy: -525.249 Base-Backbone interact. energy: -2.187 local terms energy: -603.587330 where: bonds (distance) C4'-P energy: -135.994 bonds (distance) P-C4' energy: -124.658 flat angles C4'-P-C4' energy: -127.980 flat angles P-C4'-P energy: -84.872 tors. eta vs tors. theta energy: -130.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1597.556318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.556318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.556318 (E_RNA) where: Base-Base interactions energy: -1061.316 where: short stacking energy: -468.591 Base-Backbone interact. energy: -2.971 local terms energy: -533.269892 where: bonds (distance) C4'-P energy: -114.498 bonds (distance) P-C4' energy: -110.976 flat angles C4'-P-C4' energy: -116.109 flat angles P-C4'-P energy: -75.010 tors. eta vs tors. theta energy: -116.678 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: 2 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1378.224947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.224947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.224947 (E_RNA) where: Base-Base interactions energy: -835.472 where: short stacking energy: -424.558 Base-Backbone interact. energy: -2.108 local terms energy: -540.644846 where: bonds (distance) C4'-P energy: -115.930 bonds (distance) P-C4' energy: -126.238 flat angles C4'-P-C4' energy: -125.761 flat angles P-C4'-P energy: -67.902 tors. eta vs tors. theta energy: -104.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1352.678881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.678881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.678881 (E_RNA) where: Base-Base interactions energy: -851.409 where: short stacking energy: -394.569 Base-Backbone interact. energy: -3.284 local terms energy: -497.985386 where: bonds (distance) C4'-P energy: -111.076 bonds (distance) P-C4' energy: -104.931 flat angles C4'-P-C4' energy: -127.946 flat angles P-C4'-P energy: -74.407 tors. eta vs tors. theta energy: -79.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1209.040190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.040190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.040190 (E_RNA) where: Base-Base interactions energy: -762.432 where: short stacking energy: -375.788 Base-Backbone interact. energy: 0.620 local terms energy: -447.228556 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -101.567 flat angles C4'-P-C4' energy: -115.420 flat angles P-C4'-P energy: -58.335 tors. eta vs tors. theta energy: -74.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1106.612595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.612595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.612595 (E_RNA) where: Base-Base interactions energy: -677.525 where: short stacking energy: -315.176 Base-Backbone interact. energy: 3.374 local terms energy: -432.462104 where: bonds (distance) C4'-P energy: -91.911 bonds (distance) P-C4' energy: -93.539 flat angles C4'-P-C4' energy: -119.370 flat angles P-C4'-P energy: -77.195 tors. eta vs tors. theta energy: -50.448 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: 8, replica: 6 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -819.353155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.353155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.353155 (E_RNA) where: Base-Base interactions energy: -448.365 where: short stacking energy: -235.261 Base-Backbone interact. energy: -0.090 local terms energy: -370.898392 where: bonds (distance) C4'-P energy: -106.957 bonds (distance) P-C4' energy: -105.818 flat angles C4'-P-C4' energy: -80.301 flat angles P-C4'-P energy: -61.054 tors. eta vs tors. theta energy: -16.768 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: 10 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -678.048287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.048287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.048287 (E_RNA) where: Base-Base interactions energy: -327.379 where: short stacking energy: -191.456 Base-Backbone interact. energy: 2.361 local terms energy: -353.031082 where: bonds (distance) C4'-P energy: -84.868 bonds (distance) P-C4' energy: -125.083 flat angles C4'-P-C4' energy: -103.638 flat angles P-C4'-P energy: -38.292 tors. eta vs tors. theta energy: -1.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -582.605436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.605436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.605436 (E_RNA) where: Base-Base interactions energy: -232.571 where: short stacking energy: -147.463 Base-Backbone interact. energy: -2.624 local terms energy: -347.410832 where: bonds (distance) C4'-P energy: -101.978 bonds (distance) P-C4' energy: -127.037 flat angles C4'-P-C4' energy: -64.370 flat angles P-C4'-P energy: -61.940 tors. eta vs tors. theta energy: 7.913 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: 7 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1765.444775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.444775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.444775 (E_RNA) where: Base-Base interactions energy: -1148.851 where: short stacking energy: -545.953 Base-Backbone interact. energy: 1.808 local terms energy: -618.401536 where: bonds (distance) C4'-P energy: -126.364 bonds (distance) P-C4' energy: -123.584 flat angles C4'-P-C4' energy: -131.848 flat angles P-C4'-P energy: -94.015 tors. eta vs tors. theta energy: -142.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1653.838721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.838721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.838721 (E_RNA) where: Base-Base interactions energy: -1085.741 where: short stacking energy: -547.315 Base-Backbone interact. energy: -0.578 local terms energy: -567.520004 where: bonds (distance) C4'-P energy: -123.097 bonds (distance) P-C4' energy: -117.342 flat angles C4'-P-C4' energy: -129.220 flat angles P-C4'-P energy: -69.367 tors. eta vs tors. theta energy: -128.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1629.316743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.316743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.316743 (E_RNA) where: Base-Base interactions energy: -1085.664 where: short stacking energy: -492.713 Base-Backbone interact. energy: -3.469 local terms energy: -540.183990 where: bonds (distance) C4'-P energy: -107.268 bonds (distance) P-C4' energy: -107.789 flat angles C4'-P-C4' energy: -123.381 flat angles P-C4'-P energy: -77.693 tors. eta vs tors. theta energy: -124.053 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: 2 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1374.890867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.890867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.890867 (E_RNA) where: Base-Base interactions energy: -857.554 where: short stacking energy: -436.306 Base-Backbone interact. energy: -1.223 local terms energy: -516.114117 where: bonds (distance) C4'-P energy: -127.457 bonds (distance) P-C4' energy: -107.876 flat angles C4'-P-C4' energy: -105.400 flat angles P-C4'-P energy: -70.895 tors. eta vs tors. theta energy: -104.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1373.483996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.483996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.483996 (E_RNA) where: Base-Base interactions energy: -845.867 where: short stacking energy: -422.700 Base-Backbone interact. energy: -1.056 local terms energy: -526.560304 where: bonds (distance) C4'-P energy: -109.944 bonds (distance) P-C4' energy: -112.456 flat angles C4'-P-C4' energy: -128.189 flat angles P-C4'-P energy: -82.747 tors. eta vs tors. theta energy: -93.224 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: 6, replica: 9 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1241.901486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.901486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.901486 (E_RNA) where: Base-Base interactions energy: -788.273 where: short stacking energy: -401.292 Base-Backbone interact. energy: -1.065 local terms energy: -452.562958 where: bonds (distance) C4'-P energy: -82.839 bonds (distance) P-C4' energy: -114.796 flat angles C4'-P-C4' energy: -102.985 flat angles P-C4'-P energy: -71.349 tors. eta vs tors. theta energy: -80.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1131.517827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.517827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.517827 (E_RNA) where: Base-Base interactions energy: -684.455 where: short stacking energy: -366.276 Base-Backbone interact. energy: -0.500 local terms energy: -446.562622 where: bonds (distance) C4'-P energy: -99.784 bonds (distance) P-C4' energy: -103.915 flat angles C4'-P-C4' energy: -115.287 flat angles P-C4'-P energy: -61.544 tors. eta vs tors. theta energy: -66.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -837.476338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.476338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.476338 (E_RNA) where: Base-Base interactions energy: -454.310 where: short stacking energy: -262.131 Base-Backbone interact. energy: 0.353 local terms energy: -383.518985 where: bonds (distance) C4'-P energy: -115.953 bonds (distance) P-C4' energy: -83.380 flat angles C4'-P-C4' energy: -85.704 flat angles P-C4'-P energy: -56.721 tors. eta vs tors. theta energy: -41.760 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: 9, replica: 10 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -684.902318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.902318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.902318 (E_RNA) where: Base-Base interactions energy: -359.534 where: short stacking energy: -204.999 Base-Backbone interact. energy: 7.706 local terms energy: -333.074860 where: bonds (distance) C4'-P energy: -84.042 bonds (distance) P-C4' energy: -96.020 flat angles C4'-P-C4' energy: -89.981 flat angles P-C4'-P energy: -52.311 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: 10, replica: 4 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -547.300546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.300546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.300546 (E_RNA) where: Base-Base interactions energy: -246.711 where: short stacking energy: -159.343 Base-Backbone interact. energy: -0.248 local terms energy: -300.341288 where: bonds (distance) C4'-P energy: -93.182 bonds (distance) P-C4' energy: -109.423 flat angles C4'-P-C4' energy: -75.816 flat angles P-C4'-P energy: -50.675 tors. eta vs tors. theta energy: 28.755 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: 1, replica: 7 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1774.962858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.962858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.962858 (E_RNA) where: Base-Base interactions energy: -1176.794 where: short stacking energy: -531.996 Base-Backbone interact. energy: -3.789 local terms energy: -594.379117 where: bonds (distance) C4'-P energy: -119.238 bonds (distance) P-C4' energy: -115.607 flat angles C4'-P-C4' energy: -133.059 flat angles P-C4'-P energy: -71.252 tors. eta vs tors. theta energy: -155.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1743.902377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.902377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.902377 (E_RNA) where: Base-Base interactions energy: -1155.048 where: short stacking energy: -495.049 Base-Backbone interact. energy: -5.559 local terms energy: -583.294476 where: bonds (distance) C4'-P energy: -111.114 bonds (distance) P-C4' energy: -129.427 flat angles C4'-P-C4' energy: -141.493 flat angles P-C4'-P energy: -82.942 tors. eta vs tors. theta energy: -118.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1556.862610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.862610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.862610 (E_RNA) where: Base-Base interactions energy: -981.277 where: short stacking energy: -454.207 Base-Backbone interact. energy: 0.213 local terms energy: -575.798975 where: bonds (distance) C4'-P energy: -113.250 bonds (distance) P-C4' energy: -128.196 flat angles C4'-P-C4' energy: -133.664 flat angles P-C4'-P energy: -72.689 tors. eta vs tors. theta energy: -128.000 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: 8 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1508.384970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.384970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.384970 (E_RNA) where: Base-Base interactions energy: -970.167 where: short stacking energy: -445.822 Base-Backbone interact. energy: -1.764 local terms energy: -536.453297 where: bonds (distance) C4'-P energy: -121.154 bonds (distance) P-C4' energy: -112.361 flat angles C4'-P-C4' energy: -137.216 flat angles P-C4'-P energy: -63.794 tors. eta vs tors. theta energy: -101.928 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: 2 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1332.890875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.890875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.890875 (E_RNA) where: Base-Base interactions energy: -851.029 where: short stacking energy: -407.266 Base-Backbone interact. energy: -0.007 local terms energy: -481.854480 where: bonds (distance) C4'-P energy: -105.707 bonds (distance) P-C4' energy: -102.917 flat angles C4'-P-C4' energy: -107.732 flat angles P-C4'-P energy: -67.895 tors. eta vs tors. theta energy: -97.604 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: 9 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1355.372392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.372392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.372392 (E_RNA) where: Base-Base interactions energy: -853.669 where: short stacking energy: -418.162 Base-Backbone interact. energy: 2.109 local terms energy: -503.811783 where: bonds (distance) C4'-P energy: -114.498 bonds (distance) P-C4' energy: -111.427 flat angles C4'-P-C4' energy: -115.569 flat angles P-C4'-P energy: -67.917 tors. eta vs tors. theta energy: -94.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1143.010619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.010619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.010619 (E_RNA) where: Base-Base interactions energy: -706.598 where: short stacking energy: -371.227 Base-Backbone interact. energy: -1.892 local terms energy: -434.520531 where: bonds (distance) C4'-P energy: -89.521 bonds (distance) P-C4' energy: -109.853 flat angles C4'-P-C4' energy: -95.910 flat angles P-C4'-P energy: -72.697 tors. eta vs tors. theta energy: -66.539 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: 6 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -821.876118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.876118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.876118 (E_RNA) where: Base-Base interactions energy: -416.048 where: short stacking energy: -247.816 Base-Backbone interact. energy: -1.237 local terms energy: -404.591503 where: bonds (distance) C4'-P energy: -89.448 bonds (distance) P-C4' energy: -95.718 flat angles C4'-P-C4' energy: -115.686 flat angles P-C4'-P energy: -63.226 tors. eta vs tors. theta energy: -40.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -722.536310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.536310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.536310 (E_RNA) where: Base-Base interactions energy: -363.099 where: short stacking energy: -204.451 Base-Backbone interact. energy: -1.393 local terms energy: -358.044701 where: bonds (distance) C4'-P energy: -90.113 bonds (distance) P-C4' energy: -98.247 flat angles C4'-P-C4' energy: -95.693 flat angles P-C4'-P energy: -55.072 tors. eta vs tors. theta energy: -18.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -611.782304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.782304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.782304 (E_RNA) where: Base-Base interactions energy: -262.184 where: short stacking energy: -170.093 Base-Backbone interact. energy: -0.526 local terms energy: -349.071676 where: bonds (distance) C4'-P energy: -104.349 bonds (distance) P-C4' energy: -108.268 flat angles C4'-P-C4' energy: -84.185 flat angles P-C4'-P energy: -51.982 tors. eta vs tors. theta energy: -0.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1808.032453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.032453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.032453 (E_RNA) where: Base-Base interactions energy: -1182.140 where: short stacking energy: -558.661 Base-Backbone interact. energy: -5.331 local terms energy: -620.561265 where: bonds (distance) C4'-P energy: -120.195 bonds (distance) P-C4' energy: -128.254 flat angles C4'-P-C4' energy: -135.915 flat angles P-C4'-P energy: -82.921 tors. eta vs tors. theta energy: -153.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1733.919980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.919980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.919980 (E_RNA) where: Base-Base interactions energy: -1147.673 where: short stacking energy: -517.943 Base-Backbone interact. energy: -2.669 local terms energy: -583.577506 where: bonds (distance) C4'-P energy: -115.427 bonds (distance) P-C4' energy: -128.336 flat angles C4'-P-C4' energy: -119.684 flat angles P-C4'-P energy: -83.946 tors. eta vs tors. theta energy: -136.185 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: 3 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1602.053244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.053244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.053244 (E_RNA) where: Base-Base interactions energy: -1040.401 where: short stacking energy: -480.272 Base-Backbone interact. energy: -0.914 local terms energy: -560.738485 where: bonds (distance) C4'-P energy: -105.411 bonds (distance) P-C4' energy: -120.547 flat angles C4'-P-C4' energy: -116.799 flat angles P-C4'-P energy: -83.973 tors. eta vs tors. theta energy: -134.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1557.188621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.188621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.188621 (E_RNA) where: Base-Base interactions energy: -1008.905 where: short stacking energy: -476.634 Base-Backbone interact. energy: -3.445 local terms energy: -544.837960 where: bonds (distance) C4'-P energy: -113.763 bonds (distance) P-C4' energy: -128.007 flat angles C4'-P-C4' energy: -122.383 flat angles P-C4'-P energy: -78.068 tors. eta vs tors. theta energy: -102.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1328.410316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.410316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.410316 (E_RNA) where: Base-Base interactions energy: -823.553 where: short stacking energy: -432.367 Base-Backbone interact. energy: -1.200 local terms energy: -503.656970 where: bonds (distance) C4'-P energy: -108.158 bonds (distance) P-C4' energy: -113.101 flat angles C4'-P-C4' energy: -122.024 flat angles P-C4'-P energy: -66.921 tors. eta vs tors. theta energy: -93.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1244.826393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.826393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.826393 (E_RNA) where: Base-Base interactions energy: -770.527 where: short stacking energy: -354.615 Base-Backbone interact. energy: 1.289 local terms energy: -475.588587 where: bonds (distance) C4'-P energy: -114.044 bonds (distance) P-C4' energy: -110.168 flat angles C4'-P-C4' energy: -111.161 flat angles P-C4'-P energy: -73.210 tors. eta vs tors. theta energy: -67.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1151.436457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.436457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.436457 (E_RNA) where: Base-Base interactions energy: -710.060 where: short stacking energy: -350.147 Base-Backbone interact. energy: -6.825 local terms energy: -434.551682 where: bonds (distance) C4'-P energy: -91.496 bonds (distance) P-C4' energy: -108.166 flat angles C4'-P-C4' energy: -114.818 flat angles P-C4'-P energy: -49.225 tors. eta vs tors. theta energy: -70.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -825.676220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.676220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.676220 (E_RNA) where: Base-Base interactions energy: -445.249 where: short stacking energy: -255.142 Base-Backbone interact. energy: 0.002 local terms energy: -380.429005 where: bonds (distance) C4'-P energy: -91.028 bonds (distance) P-C4' energy: -120.953 flat angles C4'-P-C4' energy: -99.376 flat angles P-C4'-P energy: -51.073 tors. eta vs tors. theta energy: -17.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -764.433580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.433580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.433580 (E_RNA) where: Base-Base interactions energy: -400.005 where: short stacking energy: -246.338 Base-Backbone interact. energy: -2.152 local terms energy: -362.275811 where: bonds (distance) C4'-P energy: -91.948 bonds (distance) P-C4' energy: -114.760 flat angles C4'-P-C4' energy: -91.943 flat angles P-C4'-P energy: -53.564 tors. eta vs tors. theta energy: -10.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -599.751505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.751505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.751505 (E_RNA) where: Base-Base interactions energy: -271.072 where: short stacking energy: -178.482 Base-Backbone interact. energy: -0.338 local terms energy: -328.341466 where: bonds (distance) C4'-P energy: -94.864 bonds (distance) P-C4' energy: -101.872 flat angles C4'-P-C4' energy: -75.544 flat angles P-C4'-P energy: -54.352 tors. eta vs tors. theta energy: -1.710 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: 7 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1789.399463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.399463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.399463 (E_RNA) where: Base-Base interactions energy: -1154.077 where: short stacking energy: -533.279 Base-Backbone interact. energy: -2.701 local terms energy: -632.621500 where: bonds (distance) C4'-P energy: -119.706 bonds (distance) P-C4' energy: -137.815 flat angles C4'-P-C4' energy: -138.506 flat angles P-C4'-P energy: -94.343 tors. eta vs tors. theta energy: -142.251 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: 2, replica: 5 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1764.969765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.969765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.969765 (E_RNA) where: Base-Base interactions energy: -1149.111 where: short stacking energy: -507.060 Base-Backbone interact. energy: -2.926 local terms energy: -612.933271 where: bonds (distance) C4'-P energy: -145.894 bonds (distance) P-C4' energy: -125.501 flat angles C4'-P-C4' energy: -138.656 flat angles P-C4'-P energy: -73.909 tors. eta vs tors. theta energy: -128.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1665.449397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.449397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.449397 (E_RNA) where: Base-Base interactions energy: -1086.819 where: short stacking energy: -531.977 Base-Backbone interact. energy: -1.983 local terms energy: -576.646900 where: bonds (distance) C4'-P energy: -121.743 bonds (distance) P-C4' energy: -114.626 flat angles C4'-P-C4' energy: -128.870 flat angles P-C4'-P energy: -74.752 tors. eta vs tors. theta energy: -136.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1616.897073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.897073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.897073 (E_RNA) where: Base-Base interactions energy: -1067.702 where: short stacking energy: -496.137 Base-Backbone interact. energy: -0.718 local terms energy: -548.477168 where: bonds (distance) C4'-P energy: -108.809 bonds (distance) P-C4' energy: -118.613 flat angles C4'-P-C4' energy: -112.328 flat angles P-C4'-P energy: -76.670 tors. eta vs tors. theta energy: -132.058 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: 5, replica: 9 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1388.530930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.530930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.530930 (E_RNA) where: Base-Base interactions energy: -899.002 where: short stacking energy: -425.473 Base-Backbone interact. energy: -2.884 local terms energy: -486.645118 where: bonds (distance) C4'-P energy: -110.461 bonds (distance) P-C4' energy: -89.920 flat angles C4'-P-C4' energy: -104.717 flat angles P-C4'-P energy: -68.037 tors. eta vs tors. theta energy: -113.509 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: 2 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1204.975394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.975394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.975394 (E_RNA) where: Base-Base interactions energy: -747.999 where: short stacking energy: -341.527 Base-Backbone interact. energy: 0.127 local terms energy: -457.103360 where: bonds (distance) C4'-P energy: -106.394 bonds (distance) P-C4' energy: -112.080 flat angles C4'-P-C4' energy: -116.243 flat angles P-C4'-P energy: -63.259 tors. eta vs tors. theta energy: -59.127 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: 1 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1141.768412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.768412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.768412 (E_RNA) where: Base-Base interactions energy: -669.454 where: short stacking energy: -346.529 Base-Backbone interact. energy: -2.618 local terms energy: -469.696309 where: bonds (distance) C4'-P energy: -102.637 bonds (distance) P-C4' energy: -102.050 flat angles C4'-P-C4' energy: -122.221 flat angles P-C4'-P energy: -60.579 tors. eta vs tors. theta energy: -82.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -865.396117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.396117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.396117 (E_RNA) where: Base-Base interactions energy: -472.497 where: short stacking energy: -281.935 Base-Backbone interact. energy: 2.491 local terms energy: -395.390301 where: bonds (distance) C4'-P energy: -95.321 bonds (distance) P-C4' energy: -108.381 flat angles C4'-P-C4' energy: -90.207 flat angles P-C4'-P energy: -60.888 tors. eta vs tors. theta energy: -40.593 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: 10 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -686.006460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.006460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.006460 (E_RNA) where: Base-Base interactions energy: -352.012 where: short stacking energy: -214.880 Base-Backbone interact. energy: 5.043 local terms energy: -339.037311 where: bonds (distance) C4'-P energy: -88.886 bonds (distance) P-C4' energy: -105.237 flat angles C4'-P-C4' energy: -78.667 flat angles P-C4'-P energy: -66.007 tors. eta vs tors. theta energy: -0.240 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: 4 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -587.150086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.150086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.150086 (E_RNA) where: Base-Base interactions energy: -250.661 where: short stacking energy: -172.712 Base-Backbone interact. energy: -0.462 local terms energy: -336.027023 where: bonds (distance) C4'-P energy: -90.408 bonds (distance) P-C4' energy: -111.637 flat angles C4'-P-C4' energy: -107.343 flat angles P-C4'-P energy: -32.023 tors. eta vs tors. theta energy: 5.384 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: 7 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1778.993139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.993139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.993139 (E_RNA) where: Base-Base interactions energy: -1149.818 where: short stacking energy: -562.334 Base-Backbone interact. energy: -3.716 local terms energy: -625.459708 where: bonds (distance) C4'-P energy: -122.527 bonds (distance) P-C4' energy: -119.885 flat angles C4'-P-C4' energy: -140.161 flat angles P-C4'-P energy: -91.658 tors. eta vs tors. theta energy: -151.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1750.849732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.849732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.849732 (E_RNA) where: Base-Base interactions energy: -1170.688 where: short stacking energy: -507.735 Base-Backbone interact. energy: -3.116 local terms energy: -577.046097 where: bonds (distance) C4'-P energy: -109.271 bonds (distance) P-C4' energy: -117.079 flat angles C4'-P-C4' energy: -138.142 flat angles P-C4'-P energy: -71.405 tors. eta vs tors. theta energy: -141.149 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: 26 Temperature: 1.000000 Total energy: -1679.492134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.492134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.492134 (E_RNA) where: Base-Base interactions energy: -1138.355 where: short stacking energy: -542.245 Base-Backbone interact. energy: -2.147 local terms energy: -538.989676 where: bonds (distance) C4'-P energy: -113.722 bonds (distance) P-C4' energy: -98.943 flat angles C4'-P-C4' energy: -129.921 flat angles P-C4'-P energy: -68.780 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: 4, replica: 3 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1553.200952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.200952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.200952 (E_RNA) where: Base-Base interactions energy: -1009.878 where: short stacking energy: -481.035 Base-Backbone interact. energy: -0.259 local terms energy: -543.064628 where: bonds (distance) C4'-P energy: -111.853 bonds (distance) P-C4' energy: -104.686 flat angles C4'-P-C4' energy: -126.531 flat angles P-C4'-P energy: -75.052 tors. eta vs tors. theta energy: -124.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1473.348211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.348211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.348211 (E_RNA) where: Base-Base interactions energy: -944.600 where: short stacking energy: -430.706 Base-Backbone interact. energy: -1.345 local terms energy: -527.403470 where: bonds (distance) C4'-P energy: -107.941 bonds (distance) P-C4' energy: -112.705 flat angles C4'-P-C4' energy: -118.194 flat angles P-C4'-P energy: -73.839 tors. eta vs tors. theta energy: -114.725 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: 6, replica: 2 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1259.904990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.904990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.904990 (E_RNA) where: Base-Base interactions energy: -790.527 where: short stacking energy: -378.529 Base-Backbone interact. energy: -0.722 local terms energy: -468.656849 where: bonds (distance) C4'-P energy: -95.236 bonds (distance) P-C4' energy: -119.832 flat angles C4'-P-C4' energy: -116.279 flat angles P-C4'-P energy: -55.442 tors. eta vs tors. theta energy: -81.868 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: 7, replica: 1 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1154.091307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.091307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.091307 (E_RNA) where: Base-Base interactions energy: -696.238 where: short stacking energy: -369.577 Base-Backbone interact. energy: 5.092 local terms energy: -462.945490 where: bonds (distance) C4'-P energy: -102.370 bonds (distance) P-C4' energy: -106.144 flat angles C4'-P-C4' energy: -113.626 flat angles P-C4'-P energy: -60.870 tors. eta vs tors. theta energy: -79.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -836.057464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.057464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.057464 (E_RNA) where: Base-Base interactions energy: -480.976 where: short stacking energy: -263.317 Base-Backbone interact. energy: 2.915 local terms energy: -357.996477 where: bonds (distance) C4'-P energy: -108.596 bonds (distance) P-C4' energy: -101.608 flat angles C4'-P-C4' energy: -63.883 flat angles P-C4'-P energy: -67.156 tors. eta vs tors. theta energy: -16.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -733.106789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.106789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.106789 (E_RNA) where: Base-Base interactions energy: -407.022 where: short stacking energy: -228.965 Base-Backbone interact. energy: 5.069 local terms energy: -331.153279 where: bonds (distance) C4'-P energy: -100.432 bonds (distance) P-C4' energy: -98.754 flat angles C4'-P-C4' energy: -82.847 flat angles P-C4'-P energy: -46.356 tors. eta vs tors. theta energy: -2.764 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: 4 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -619.916475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.916475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.916475 (E_RNA) where: Base-Base interactions energy: -292.436 where: short stacking energy: -171.792 Base-Backbone interact. energy: -1.268 local terms energy: -326.212747 where: bonds (distance) C4'-P energy: -77.512 bonds (distance) P-C4' energy: -104.816 flat angles C4'-P-C4' energy: -98.807 flat angles P-C4'-P energy: -65.197 tors. eta vs tors. theta energy: 20.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1792.955214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.955214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.955214 (E_RNA) where: Base-Base interactions energy: -1170.048 where: short stacking energy: -538.359 Base-Backbone interact. energy: -2.722 local terms energy: -620.185267 where: bonds (distance) C4'-P energy: -118.305 bonds (distance) P-C4' energy: -134.771 flat angles C4'-P-C4' energy: -136.475 flat angles P-C4'-P energy: -83.808 tors. eta vs tors. theta energy: -146.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1779.497472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.497472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.497472 (E_RNA) where: Base-Base interactions energy: -1196.268 where: short stacking energy: -517.489 Base-Backbone interact. energy: -1.749 local terms energy: -581.480428 where: bonds (distance) C4'-P energy: -113.702 bonds (distance) P-C4' energy: -128.896 flat angles C4'-P-C4' energy: -125.410 flat angles P-C4'-P energy: -64.492 tors. eta vs tors. theta energy: -148.980 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: 8 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1670.748766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.748766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.748766 (E_RNA) where: Base-Base interactions energy: -1112.461 where: short stacking energy: -519.805 Base-Backbone interact. energy: -2.521 local terms energy: -555.767123 where: bonds (distance) C4'-P energy: -109.621 bonds (distance) P-C4' energy: -113.816 flat angles C4'-P-C4' energy: -121.279 flat angles P-C4'-P energy: -80.550 tors. eta vs tors. theta energy: -130.501 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: 27 Temperature: 1.050000 Total energy: -1606.863871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.863871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.863871 (E_RNA) where: Base-Base interactions energy: -1017.738 where: short stacking energy: -499.811 Base-Backbone interact. energy: -1.904 local terms energy: -587.221900 where: bonds (distance) C4'-P energy: -122.245 bonds (distance) P-C4' energy: -121.538 flat angles C4'-P-C4' energy: -116.575 flat angles P-C4'-P energy: -91.134 tors. eta vs tors. theta energy: -135.729 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: 5, replica: 9 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1399.530049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.530049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.530049 (E_RNA) where: Base-Base interactions energy: -900.861 where: short stacking energy: -463.414 Base-Backbone interact. energy: -2.318 local terms energy: -496.350960 where: bonds (distance) C4'-P energy: -91.401 bonds (distance) P-C4' energy: -119.177 flat angles C4'-P-C4' energy: -117.068 flat angles P-C4'-P energy: -57.037 tors. eta vs tors. theta energy: -111.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1285.860786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.860786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.860786 (E_RNA) where: Base-Base interactions energy: -801.624 where: short stacking energy: -394.598 Base-Backbone interact. energy: -1.893 local terms energy: -482.343980 where: bonds (distance) C4'-P energy: -118.714 bonds (distance) P-C4' energy: -101.571 flat angles C4'-P-C4' energy: -101.271 flat angles P-C4'-P energy: -63.174 tors. eta vs tors. theta energy: -97.614 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: 1 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1154.546087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.546087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.546087 (E_RNA) where: Base-Base interactions energy: -706.946 where: short stacking energy: -344.739 Base-Backbone interact. energy: 1.961 local terms energy: -449.561246 where: bonds (distance) C4'-P energy: -98.569 bonds (distance) P-C4' energy: -101.273 flat angles C4'-P-C4' energy: -108.212 flat angles P-C4'-P energy: -59.874 tors. eta vs tors. theta energy: -81.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -959.868034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.868034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.868034 (E_RNA) where: Base-Base interactions energy: -541.759 where: short stacking energy: -279.912 Base-Backbone interact. energy: -1.874 local terms energy: -416.235792 where: bonds (distance) C4'-P energy: -82.395 bonds (distance) P-C4' energy: -99.198 flat angles C4'-P-C4' energy: -127.551 flat angles P-C4'-P energy: -62.536 tors. eta vs tors. theta energy: -44.555 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: 10 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -787.763853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.763853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.763853 (E_RNA) where: Base-Base interactions energy: -436.518 where: short stacking energy: -243.966 Base-Backbone interact. energy: -0.611 local terms energy: -350.634947 where: bonds (distance) C4'-P energy: -83.117 bonds (distance) P-C4' energy: -107.524 flat angles C4'-P-C4' energy: -95.347 flat angles P-C4'-P energy: -43.563 tors. eta vs tors. theta energy: -21.083 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: 10, replica: 4 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -674.492665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.492665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.492665 (E_RNA) where: Base-Base interactions energy: -365.389 where: short stacking energy: -222.986 Base-Backbone interact. energy: -0.989 local terms energy: -308.114840 where: bonds (distance) C4'-P energy: -80.608 bonds (distance) P-C4' energy: -94.518 flat angles C4'-P-C4' energy: -72.112 flat angles P-C4'-P energy: -45.128 tors. eta vs tors. theta energy: -15.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1847.207432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.207432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.207432 (E_RNA) where: Base-Base interactions energy: -1245.836 where: short stacking energy: -538.132 Base-Backbone interact. energy: -4.225 local terms energy: -597.146440 where: bonds (distance) C4'-P energy: -114.183 bonds (distance) P-C4' energy: -133.051 flat angles C4'-P-C4' energy: -130.043 flat angles P-C4'-P energy: -78.619 tors. eta vs tors. theta energy: -141.250 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: 2, replica: 7 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1754.033212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.033212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.033212 (E_RNA) where: Base-Base interactions energy: -1158.026 where: short stacking energy: -550.510 Base-Backbone interact. energy: 0.298 local terms energy: -596.304695 where: bonds (distance) C4'-P energy: -109.211 bonds (distance) P-C4' energy: -129.446 flat angles C4'-P-C4' energy: -135.389 flat angles P-C4'-P energy: -76.163 tors. eta vs tors. theta energy: -146.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1668.207443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.207443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.207443 (E_RNA) where: Base-Base interactions energy: -1112.464 where: short stacking energy: -500.405 Base-Backbone interact. energy: -1.441 local terms energy: -554.302475 where: bonds (distance) C4'-P energy: -116.259 bonds (distance) P-C4' energy: -112.651 flat angles C4'-P-C4' energy: -114.546 flat angles P-C4'-P energy: -93.426 tors. eta vs tors. theta energy: -117.421 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: 3 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1560.680163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.680163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.680163 (E_RNA) where: Base-Base interactions energy: -1011.246 where: short stacking energy: -466.025 Base-Backbone interact. energy: 0.385 local terms energy: -549.818490 where: bonds (distance) C4'-P energy: -115.008 bonds (distance) P-C4' energy: -116.840 flat angles C4'-P-C4' energy: -112.541 flat angles P-C4'-P energy: -83.649 tors. eta vs tors. theta energy: -121.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1383.660691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.660691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.660691 (E_RNA) where: Base-Base interactions energy: -862.771 where: short stacking energy: -427.242 Base-Backbone interact. energy: -1.188 local terms energy: -519.702203 where: bonds (distance) C4'-P energy: -105.323 bonds (distance) P-C4' energy: -107.507 flat angles C4'-P-C4' energy: -116.878 flat angles P-C4'-P energy: -64.702 tors. eta vs tors. theta energy: -125.293 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: 6, replica: 2 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1237.478592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.478592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.478592 (E_RNA) where: Base-Base interactions energy: -792.707 where: short stacking energy: -379.437 Base-Backbone interact. energy: -2.208 local terms energy: -442.564313 where: bonds (distance) C4'-P energy: -93.255 bonds (distance) P-C4' energy: -99.741 flat angles C4'-P-C4' energy: -96.911 flat angles P-C4'-P energy: -75.150 tors. eta vs tors. theta energy: -77.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1136.084129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.084129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.084129 (E_RNA) where: Base-Base interactions energy: -697.435 where: short stacking energy: -350.382 Base-Backbone interact. energy: 0.085 local terms energy: -438.734681 where: bonds (distance) C4'-P energy: -95.517 bonds (distance) P-C4' energy: -114.532 flat angles C4'-P-C4' energy: -94.724 flat angles P-C4'-P energy: -72.410 tors. eta vs tors. theta energy: -61.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1006.520409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.520409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.520409 (E_RNA) where: Base-Base interactions energy: -579.323 where: short stacking energy: -316.839 Base-Backbone interact. energy: -0.599 local terms energy: -426.598170 where: bonds (distance) C4'-P energy: -96.477 bonds (distance) P-C4' energy: -105.805 flat angles C4'-P-C4' energy: -106.813 flat angles P-C4'-P energy: -56.940 tors. eta vs tors. theta energy: -60.563 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: 10 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -853.070216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.070216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.070216 (E_RNA) where: Base-Base interactions energy: -472.085 where: short stacking energy: -242.039 Base-Backbone interact. energy: -2.045 local terms energy: -378.940577 where: bonds (distance) C4'-P energy: -111.819 bonds (distance) P-C4' energy: -85.364 flat angles C4'-P-C4' energy: -96.893 flat angles P-C4'-P energy: -57.314 tors. eta vs tors. theta energy: -27.550 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: 4 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -655.107653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.107653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.107653 (E_RNA) where: Base-Base interactions energy: -322.117 where: short stacking energy: -193.136 Base-Backbone interact. energy: -0.395 local terms energy: -332.595850 where: bonds (distance) C4'-P energy: -103.635 bonds (distance) P-C4' energy: -89.572 flat angles C4'-P-C4' energy: -98.280 flat angles P-C4'-P energy: -29.255 tors. eta vs tors. theta energy: -11.854 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) out arg RESULTS//1/Insulina-7a5d68a4_01 ================================== temp. level: 1, replica: 5 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1896.383228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.383228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.383228 (E_RNA) where: Base-Base interactions energy: -1256.663 where: short stacking energy: -576.665 Base-Backbone interact. energy: -6.021 local terms energy: -633.698685 where: bonds (distance) C4'-P energy: -126.232 bonds (distance) P-C4' energy: -135.779 flat angles C4'-P-C4' energy: -130.660 flat angles P-C4'-P energy: -89.565 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: 2, replica: 7 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1770.424635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.424635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.424635 (E_RNA) where: Base-Base interactions energy: -1167.954 where: short stacking energy: -556.685 Base-Backbone interact. energy: -3.227 local terms energy: -599.243551 where: bonds (distance) C4'-P energy: -123.492 bonds (distance) P-C4' energy: -116.004 flat angles C4'-P-C4' energy: -139.626 flat angles P-C4'-P energy: -76.238 tors. eta vs tors. theta energy: -143.884 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: 8 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1667.762463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.762463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.762463 (E_RNA) where: Base-Base interactions energy: -1097.774 where: short stacking energy: -500.217 Base-Backbone interact. energy: 0.090 local terms energy: -570.078312 where: bonds (distance) C4'-P energy: -116.416 bonds (distance) P-C4' energy: -127.640 flat angles C4'-P-C4' energy: -131.693 flat angles P-C4'-P energy: -80.194 tors. eta vs tors. theta energy: -114.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1624.470642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.470642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.470642 (E_RNA) where: Base-Base interactions energy: -1058.944 where: short stacking energy: -503.377 Base-Backbone interact. energy: 1.842 local terms energy: -567.368957 where: bonds (distance) C4'-P energy: -120.311 bonds (distance) P-C4' energy: -126.648 flat angles C4'-P-C4' energy: -125.355 flat angles P-C4'-P energy: -69.380 tors. eta vs tors. theta energy: -125.675 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: 9 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1451.960949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.960949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.960949 (E_RNA) where: Base-Base interactions energy: -953.889 where: short stacking energy: -471.728 Base-Backbone interact. energy: -0.493 local terms energy: -497.579029 where: bonds (distance) C4'-P energy: -106.467 bonds (distance) P-C4' energy: -97.835 flat angles C4'-P-C4' energy: -108.601 flat angles P-C4'-P energy: -67.430 tors. eta vs tors. theta energy: -117.246 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: 6, replica: 1 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1241.094316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.094316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.094316 (E_RNA) where: Base-Base interactions energy: -753.779 where: short stacking energy: -380.971 Base-Backbone interact. energy: -0.694 local terms energy: -486.620597 where: bonds (distance) C4'-P energy: -111.705 bonds (distance) P-C4' energy: -103.141 flat angles C4'-P-C4' energy: -106.711 flat angles P-C4'-P energy: -68.181 tors. eta vs tors. theta energy: -96.883 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: 2 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1165.151247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.151247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.151247 (E_RNA) where: Base-Base interactions energy: -709.885 where: short stacking energy: -338.602 Base-Backbone interact. energy: -0.402 local terms energy: -454.864198 where: bonds (distance) C4'-P energy: -104.278 bonds (distance) P-C4' energy: -104.614 flat angles C4'-P-C4' energy: -96.446 flat angles P-C4'-P energy: -63.837 tors. eta vs tors. theta energy: -85.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -960.514803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.514803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.514803 (E_RNA) where: Base-Base interactions energy: -572.493 where: short stacking energy: -271.544 Base-Backbone interact. energy: 2.564 local terms energy: -390.586357 where: bonds (distance) C4'-P energy: -100.483 bonds (distance) P-C4' energy: -94.105 flat angles C4'-P-C4' energy: -99.463 flat angles P-C4'-P energy: -57.665 tors. eta vs tors. theta energy: -38.871 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: 9, replica: 10 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -836.149199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.149199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.149199 (E_RNA) where: Base-Base interactions energy: -463.985 where: short stacking energy: -243.817 Base-Backbone interact. energy: 3.566 local terms energy: -375.730451 where: bonds (distance) C4'-P energy: -114.205 bonds (distance) P-C4' energy: -101.760 flat angles C4'-P-C4' energy: -91.865 flat angles P-C4'-P energy: -62.271 tors. eta vs tors. theta energy: -5.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -588.711358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.711358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.711358 (E_RNA) where: Base-Base interactions energy: -231.537 where: short stacking energy: -124.188 Base-Backbone interact. energy: 2.230 local terms energy: -359.404151 where: bonds (distance) C4'-P energy: -98.285 bonds (distance) P-C4' energy: -116.754 flat angles C4'-P-C4' energy: -91.238 flat angles P-C4'-P energy: -62.547 tors. eta vs tors. theta energy: 9.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1886.866200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.866200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.866200 (E_RNA) where: Base-Base interactions energy: -1285.158 where: short stacking energy: -556.748 Base-Backbone interact. energy: -5.248 local terms energy: -596.460560 where: bonds (distance) C4'-P energy: -115.178 bonds (distance) P-C4' energy: -129.695 flat angles C4'-P-C4' energy: -129.069 flat angles P-C4'-P energy: -80.803 tors. eta vs tors. theta energy: -141.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1789.561441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.561441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.561441 (E_RNA) where: Base-Base interactions energy: -1183.326 where: short stacking energy: -567.723 Base-Backbone interact. energy: -2.712 local terms energy: -603.523239 where: bonds (distance) C4'-P energy: -121.818 bonds (distance) P-C4' energy: -115.511 flat angles C4'-P-C4' energy: -124.631 flat angles P-C4'-P energy: -92.214 tors. eta vs tors. theta energy: -149.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1673.713308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.713308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.713308 (E_RNA) where: Base-Base interactions energy: -1106.303 where: short stacking energy: -485.162 Base-Backbone interact. energy: -1.960 local terms energy: -565.449925 where: bonds (distance) C4'-P energy: -117.491 bonds (distance) P-C4' energy: -116.988 flat angles C4'-P-C4' energy: -126.086 flat angles P-C4'-P energy: -84.330 tors. eta vs tors. theta energy: -120.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1604.223272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.223272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.223272 (E_RNA) where: Base-Base interactions energy: -1032.359 where: short stacking energy: -486.987 Base-Backbone interact. energy: 1.650 local terms energy: -573.514616 where: bonds (distance) C4'-P energy: -119.762 bonds (distance) P-C4' energy: -111.734 flat angles C4'-P-C4' energy: -124.364 flat angles P-C4'-P energy: -88.672 tors. eta vs tors. theta energy: -128.983 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: 5, replica: 9 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1461.083624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.083624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.083624 (E_RNA) where: Base-Base interactions energy: -924.633 where: short stacking energy: -448.498 Base-Backbone interact. energy: -0.808 local terms energy: -535.642275 where: bonds (distance) C4'-P energy: -108.286 bonds (distance) P-C4' energy: -109.628 flat angles C4'-P-C4' energy: -124.506 flat angles P-C4'-P energy: -86.356 tors. eta vs tors. theta energy: -106.867 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: 6, replica: 1 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1298.359474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.359474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.359474 (E_RNA) where: Base-Base interactions energy: -810.390 where: short stacking energy: -427.290 Base-Backbone interact. energy: 0.966 local terms energy: -488.934594 where: bonds (distance) C4'-P energy: -88.683 bonds (distance) P-C4' energy: -112.073 flat angles C4'-P-C4' energy: -131.332 flat angles P-C4'-P energy: -55.733 tors. eta vs tors. theta energy: -101.113 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: 2 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1102.000219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.000219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.000219 (E_RNA) where: Base-Base interactions energy: -657.231 where: short stacking energy: -337.663 Base-Backbone interact. energy: -3.328 local terms energy: -441.441392 where: bonds (distance) C4'-P energy: -105.271 bonds (distance) P-C4' energy: -102.955 flat angles C4'-P-C4' energy: -100.939 flat angles P-C4'-P energy: -62.530 tors. eta vs tors. theta energy: -69.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -953.503058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.503058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.503058 (E_RNA) where: Base-Base interactions energy: -536.663 where: short stacking energy: -283.485 Base-Backbone interact. energy: -1.543 local terms energy: -415.297478 where: bonds (distance) C4'-P energy: -103.564 bonds (distance) P-C4' energy: -114.276 flat angles C4'-P-C4' energy: -101.120 flat angles P-C4'-P energy: -60.380 tors. eta vs tors. theta energy: -35.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -728.069522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.069522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.069522 (E_RNA) where: Base-Base interactions energy: -366.657 where: short stacking energy: -199.620 Base-Backbone interact. energy: -0.194 local terms energy: -361.218267 where: bonds (distance) C4'-P energy: -105.438 bonds (distance) P-C4' energy: -101.732 flat angles C4'-P-C4' energy: -106.367 flat angles P-C4'-P energy: -44.675 tors. eta vs tors. theta energy: -3.006 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: 4 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -589.665048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.665048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.665048 (E_RNA) where: Base-Base interactions energy: -264.533 where: short stacking energy: -173.262 Base-Backbone interact. energy: 1.954 local terms energy: -327.085604 where: bonds (distance) C4'-P energy: -101.518 bonds (distance) P-C4' energy: -110.210 flat angles C4'-P-C4' energy: -76.579 flat angles P-C4'-P energy: -41.476 tors. eta vs tors. theta energy: 2.697 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: 5 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1936.120205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.120205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.120205 (E_RNA) where: Base-Base interactions energy: -1318.820 where: short stacking energy: -569.241 Base-Backbone interact. energy: -4.068 local terms energy: -613.232793 where: bonds (distance) C4'-P energy: -123.047 bonds (distance) P-C4' energy: -131.544 flat angles C4'-P-C4' energy: -130.172 flat angles P-C4'-P energy: -77.119 tors. eta vs tors. theta energy: -151.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1800.938421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.938421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.938421 (E_RNA) where: Base-Base interactions energy: -1175.420 where: short stacking energy: -532.937 Base-Backbone interact. energy: -4.146 local terms energy: -621.372980 where: bonds (distance) C4'-P energy: -117.038 bonds (distance) P-C4' energy: -125.736 flat angles C4'-P-C4' energy: -124.001 flat angles P-C4'-P energy: -101.749 tors. eta vs tors. theta energy: -152.848 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: 8 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1681.583940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.583940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.583940 (E_RNA) where: Base-Base interactions energy: -1107.405 where: short stacking energy: -547.688 Base-Backbone interact. energy: 3.213 local terms energy: -577.392073 where: bonds (distance) C4'-P energy: -124.646 bonds (distance) P-C4' energy: -107.808 flat angles C4'-P-C4' energy: -134.112 flat angles P-C4'-P energy: -75.966 tors. eta vs tors. theta energy: -134.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1646.141146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.141146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.141146 (E_RNA) where: Base-Base interactions energy: -1105.282 where: short stacking energy: -503.554 Base-Backbone interact. energy: 0.192 local terms energy: -541.051337 where: bonds (distance) C4'-P energy: -114.665 bonds (distance) P-C4' energy: -111.994 flat angles C4'-P-C4' energy: -123.227 flat angles P-C4'-P energy: -67.423 tors. eta vs tors. theta energy: -123.742 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: 5, replica: 9 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1436.176201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.176201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.176201 (E_RNA) where: Base-Base interactions energy: -930.374 where: short stacking energy: -431.724 Base-Backbone interact. energy: 5.803 local terms energy: -511.605537 where: bonds (distance) C4'-P energy: -110.958 bonds (distance) P-C4' energy: -105.280 flat angles C4'-P-C4' energy: -119.850 flat angles P-C4'-P energy: -69.504 tors. eta vs tors. theta energy: -106.014 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: 1 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1344.979749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.979749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.979749 (E_RNA) where: Base-Base interactions energy: -829.269 where: short stacking energy: -417.584 Base-Backbone interact. energy: -1.517 local terms energy: -514.192980 where: bonds (distance) C4'-P energy: -113.727 bonds (distance) P-C4' energy: -101.224 flat angles C4'-P-C4' energy: -120.287 flat angles P-C4'-P energy: -76.644 tors. eta vs tors. theta energy: -102.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1021.022092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.022092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.022092 (E_RNA) where: Base-Base interactions energy: -619.212 where: short stacking energy: -291.401 Base-Backbone interact. energy: 2.076 local terms energy: -403.886157 where: bonds (distance) C4'-P energy: -107.600 bonds (distance) P-C4' energy: -115.058 flat angles C4'-P-C4' energy: -100.825 flat angles P-C4'-P energy: -57.319 tors. eta vs tors. theta energy: -23.085 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: 8, replica: 6 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -999.139260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.139260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.139260 (E_RNA) where: Base-Base interactions energy: -572.252 where: short stacking energy: -314.680 Base-Backbone interact. energy: -1.593 local terms energy: -425.294867 where: bonds (distance) C4'-P energy: -88.416 bonds (distance) P-C4' energy: -104.920 flat angles C4'-P-C4' energy: -98.783 flat angles P-C4'-P energy: -65.621 tors. eta vs tors. theta energy: -67.555 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: 10 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -774.032977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.032977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.032977 (E_RNA) where: Base-Base interactions energy: -414.237 where: short stacking energy: -213.691 Base-Backbone interact. energy: 2.799 local terms energy: -362.595027 where: bonds (distance) C4'-P energy: -102.889 bonds (distance) P-C4' energy: -97.753 flat angles C4'-P-C4' energy: -104.082 flat angles P-C4'-P energy: -51.125 tors. eta vs tors. theta energy: -6.746 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: 10, replica: 4 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -677.749087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.749087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.749087 (E_RNA) where: Base-Base interactions energy: -306.472 where: short stacking energy: -190.686 Base-Backbone interact. energy: 4.605 local terms energy: -375.882057 where: bonds (distance) C4'-P energy: -103.375 bonds (distance) P-C4' energy: -103.252 flat angles C4'-P-C4' energy: -86.582 flat angles P-C4'-P energy: -75.649 tors. eta vs tors. theta energy: -7.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1935.302808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.302808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.302808 (E_RNA) where: Base-Base interactions energy: -1303.216 where: short stacking energy: -570.716 Base-Backbone interact. energy: -4.104 local terms energy: -627.983326 where: bonds (distance) C4'-P energy: -136.812 bonds (distance) P-C4' energy: -127.434 flat angles C4'-P-C4' energy: -133.194 flat angles P-C4'-P energy: -86.149 tors. eta vs tors. theta energy: -144.393 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: 2, replica: 7 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1804.712991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.712991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.712991 (E_RNA) where: Base-Base interactions energy: -1214.507 where: short stacking energy: -551.191 Base-Backbone interact. energy: -0.741 local terms energy: -589.465031 where: bonds (distance) C4'-P energy: -106.759 bonds (distance) P-C4' energy: -113.941 flat angles C4'-P-C4' energy: -144.434 flat angles P-C4'-P energy: -91.356 tors. eta vs tors. theta energy: -132.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1637.148247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.148247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.148247 (E_RNA) where: Base-Base interactions energy: -1069.898 where: short stacking energy: -528.133 Base-Backbone interact. energy: -1.866 local terms energy: -565.383894 where: bonds (distance) C4'-P energy: -119.246 bonds (distance) P-C4' energy: -121.600 flat angles C4'-P-C4' energy: -115.775 flat angles P-C4'-P energy: -80.721 tors. eta vs tors. theta energy: -128.041 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: 3 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1710.202378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.202378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.202378 (E_RNA) where: Base-Base interactions energy: -1158.529 where: short stacking energy: -532.610 Base-Backbone interact. energy: -4.923 local terms energy: -546.750904 where: bonds (distance) C4'-P energy: -109.639 bonds (distance) P-C4' energy: -91.019 flat angles C4'-P-C4' energy: -129.627 flat angles P-C4'-P energy: -76.499 tors. eta vs tors. theta energy: -139.966 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: 9 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1423.649250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.649250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.649250 (E_RNA) where: Base-Base interactions energy: -911.630 where: short stacking energy: -444.125 Base-Backbone interact. energy: -2.597 local terms energy: -509.423155 where: bonds (distance) C4'-P energy: -93.146 bonds (distance) P-C4' energy: -103.961 flat angles C4'-P-C4' energy: -119.897 flat angles P-C4'-P energy: -84.624 tors. eta vs tors. theta energy: -107.796 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: 6, replica: 1 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1290.074733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.074733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.074733 (E_RNA) where: Base-Base interactions energy: -810.067 where: short stacking energy: -404.548 Base-Backbone interact. energy: 1.554 local terms energy: -481.561244 where: bonds (distance) C4'-P energy: -102.040 bonds (distance) P-C4' energy: -95.572 flat angles C4'-P-C4' energy: -104.770 flat angles P-C4'-P energy: -87.266 tors. eta vs tors. theta energy: -91.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1050.258287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.258287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.258287 (E_RNA) where: Base-Base interactions energy: -633.442 where: short stacking energy: -329.099 Base-Backbone interact. energy: 3.322 local terms energy: -420.138446 where: bonds (distance) C4'-P energy: -91.590 bonds (distance) P-C4' energy: -118.141 flat angles C4'-P-C4' energy: -93.938 flat angles P-C4'-P energy: -77.371 tors. eta vs tors. theta energy: -39.098 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: 6 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -934.066890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.066890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.066890 (E_RNA) where: Base-Base interactions energy: -548.913 where: short stacking energy: -278.591 Base-Backbone interact. energy: 0.424 local terms energy: -385.577533 where: bonds (distance) C4'-P energy: -84.734 bonds (distance) P-C4' energy: -111.059 flat angles C4'-P-C4' energy: -92.265 flat angles P-C4'-P energy: -54.461 tors. eta vs tors. theta energy: -43.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -783.110590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.110590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.110590 (E_RNA) where: Base-Base interactions energy: -405.087 where: short stacking energy: -237.313 Base-Backbone interact. energy: 2.265 local terms energy: -380.288914 where: bonds (distance) C4'-P energy: -89.789 bonds (distance) P-C4' energy: -99.781 flat angles C4'-P-C4' energy: -98.164 flat angles P-C4'-P energy: -68.529 tors. eta vs tors. theta energy: -24.026 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: 10, replica: 4 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -625.455779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.455779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.455779 (E_RNA) where: Base-Base interactions energy: -304.945 where: short stacking energy: -167.820 Base-Backbone interact. energy: -2.241 local terms energy: -318.269853 where: bonds (distance) C4'-P energy: -102.008 bonds (distance) P-C4' energy: -92.330 flat angles C4'-P-C4' energy: -88.377 flat angles P-C4'-P energy: -52.714 tors. eta vs tors. theta energy: 17.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1942.904224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.904224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.904224 (E_RNA) where: Base-Base interactions energy: -1359.113 where: short stacking energy: -556.080 Base-Backbone interact. energy: 1.224 local terms energy: -585.014539 where: bonds (distance) C4'-P energy: -120.904 bonds (distance) P-C4' energy: -110.731 flat angles C4'-P-C4' energy: -142.525 flat angles P-C4'-P energy: -66.625 tors. eta vs tors. theta energy: -144.229 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: 7 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1888.474517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.474517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.474517 (E_RNA) where: Base-Base interactions energy: -1282.023 where: short stacking energy: -566.704 Base-Backbone interact. energy: -6.328 local terms energy: -600.123320 where: bonds (distance) C4'-P energy: -119.700 bonds (distance) P-C4' energy: -109.893 flat angles C4'-P-C4' energy: -135.051 flat angles P-C4'-P energy: -85.922 tors. eta vs tors. theta energy: -149.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1675.448454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.448454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.448454 (E_RNA) where: Base-Base interactions energy: -1121.633 where: short stacking energy: -505.939 Base-Backbone interact. energy: -0.285 local terms energy: -553.530959 where: bonds (distance) C4'-P energy: -112.005 bonds (distance) P-C4' energy: -110.681 flat angles C4'-P-C4' energy: -116.111 flat angles P-C4'-P energy: -87.747 tors. eta vs tors. theta energy: -126.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1719.284010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.284010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.284010 (E_RNA) where: Base-Base interactions energy: -1145.075 where: short stacking energy: -493.929 Base-Backbone interact. energy: 0.525 local terms energy: -574.734079 where: bonds (distance) C4'-P energy: -118.447 bonds (distance) P-C4' energy: -117.548 flat angles C4'-P-C4' energy: -131.653 flat angles P-C4'-P energy: -64.576 tors. eta vs tors. theta energy: -142.510 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: 9 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1537.081328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.081328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.081328 (E_RNA) where: Base-Base interactions energy: -985.655 where: short stacking energy: -489.829 Base-Backbone interact. energy: -0.630 local terms energy: -550.796279 where: bonds (distance) C4'-P energy: -114.995 bonds (distance) P-C4' energy: -108.289 flat angles C4'-P-C4' energy: -120.048 flat angles P-C4'-P energy: -78.067 tors. eta vs tors. theta energy: -129.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1301.276826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.276826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.276826 (E_RNA) where: Base-Base interactions energy: -814.329 where: short stacking energy: -387.740 Base-Backbone interact. energy: 0.684 local terms energy: -487.631515 where: bonds (distance) C4'-P energy: -107.173 bonds (distance) P-C4' energy: -123.202 flat angles C4'-P-C4' energy: -98.024 flat angles P-C4'-P energy: -77.089 tors. eta vs tors. theta energy: -82.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1094.857232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.857232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.857232 (E_RNA) where: Base-Base interactions energy: -665.320 where: short stacking energy: -360.569 Base-Backbone interact. energy: 3.455 local terms energy: -432.992022 where: bonds (distance) C4'-P energy: -104.789 bonds (distance) P-C4' energy: -96.254 flat angles C4'-P-C4' energy: -118.351 flat angles P-C4'-P energy: -59.098 tors. eta vs tors. theta energy: -54.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -908.896214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.896214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.896214 (E_RNA) where: Base-Base interactions energy: -506.132 where: short stacking energy: -264.426 Base-Backbone interact. energy: 1.361 local terms energy: -404.125756 where: bonds (distance) C4'-P energy: -87.605 bonds (distance) P-C4' energy: -114.351 flat angles C4'-P-C4' energy: -96.621 flat angles P-C4'-P energy: -65.596 tors. eta vs tors. theta energy: -39.953 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: 10 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -857.322900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.322900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.322900 (E_RNA) where: Base-Base interactions energy: -460.759 where: short stacking energy: -221.908 Base-Backbone interact. energy: -2.486 local terms energy: -394.078226 where: bonds (distance) C4'-P energy: -100.150 bonds (distance) P-C4' energy: -110.585 flat angles C4'-P-C4' energy: -100.225 flat angles P-C4'-P energy: -54.879 tors. eta vs tors. theta energy: -28.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -566.390129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.390129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.390129 (E_RNA) where: Base-Base interactions energy: -241.030 where: short stacking energy: -166.197 Base-Backbone interact. energy: 0.757 local terms energy: -326.117689 where: bonds (distance) C4'-P energy: -89.102 bonds (distance) P-C4' energy: -96.862 flat angles C4'-P-C4' energy: -98.424 flat angles P-C4'-P energy: -57.829 tors. eta vs tors. theta energy: 16.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1917.565205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.565205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.565205 (E_RNA) where: Base-Base interactions energy: -1313.189 where: short stacking energy: -558.810 Base-Backbone interact. energy: -0.717 local terms energy: -603.659794 where: bonds (distance) C4'-P energy: -116.794 bonds (distance) P-C4' energy: -134.467 flat angles C4'-P-C4' energy: -132.426 flat angles P-C4'-P energy: -77.649 tors. eta vs tors. theta energy: -142.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1865.627836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.627836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.627836 (E_RNA) where: Base-Base interactions energy: -1262.509 where: short stacking energy: -551.309 Base-Backbone interact. energy: 0.461 local terms energy: -603.580087 where: bonds (distance) C4'-P energy: -129.864 bonds (distance) P-C4' energy: -115.082 flat angles C4'-P-C4' energy: -135.849 flat angles P-C4'-P energy: -87.940 tors. eta vs tors. theta energy: -134.845 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: 3, replica: 3 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1806.979177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.979177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.979177 (E_RNA) where: Base-Base interactions energy: -1229.180 where: short stacking energy: -528.517 Base-Backbone interact. energy: -3.220 local terms energy: -574.578377 where: bonds (distance) C4'-P energy: -113.353 bonds (distance) P-C4' energy: -130.471 flat angles C4'-P-C4' energy: -130.932 flat angles P-C4'-P energy: -62.493 tors. eta vs tors. theta energy: -137.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1632.257470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.257470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.257470 (E_RNA) where: Base-Base interactions energy: -1068.081 where: short stacking energy: -484.129 Base-Backbone interact. energy: -1.868 local terms energy: -562.308194 where: bonds (distance) C4'-P energy: -111.936 bonds (distance) P-C4' energy: -102.328 flat angles C4'-P-C4' energy: -128.345 flat angles P-C4'-P energy: -83.234 tors. eta vs tors. theta energy: -136.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1571.729032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.729032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.729032 (E_RNA) where: Base-Base interactions energy: -1011.234 where: short stacking energy: -495.716 Base-Backbone interact. energy: 1.163 local terms energy: -561.658000 where: bonds (distance) C4'-P energy: -106.117 bonds (distance) P-C4' energy: -111.474 flat angles C4'-P-C4' energy: -122.788 flat angles P-C4'-P energy: -81.530 tors. eta vs tors. theta energy: -139.749 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: 34 Temperature: 1.150000 Total energy: -1339.659004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.659004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.659004 (E_RNA) where: Base-Base interactions energy: -822.040 where: short stacking energy: -414.608 Base-Backbone interact. energy: -0.529 local terms energy: -517.089579 where: bonds (distance) C4'-P energy: -110.135 bonds (distance) P-C4' energy: -102.764 flat angles C4'-P-C4' energy: -121.295 flat angles P-C4'-P energy: -69.226 tors. eta vs tors. theta energy: -113.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1140.950974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.950974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.950974 (E_RNA) where: Base-Base interactions energy: -699.062 where: short stacking energy: -336.198 Base-Backbone interact. energy: 6.242 local terms energy: -448.130490 where: bonds (distance) C4'-P energy: -100.104 bonds (distance) P-C4' energy: -112.027 flat angles C4'-P-C4' energy: -102.541 flat angles P-C4'-P energy: -79.301 tors. eta vs tors. theta energy: -54.157 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: 34 Temperature: 1.250000 Total energy: -918.258782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.258782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.258782 (E_RNA) where: Base-Base interactions energy: -508.639 where: short stacking energy: -247.996 Base-Backbone interact. energy: -1.770 local terms energy: -407.850240 where: bonds (distance) C4'-P energy: -94.438 bonds (distance) P-C4' energy: -120.095 flat angles C4'-P-C4' energy: -90.085 flat angles P-C4'-P energy: -62.617 tors. eta vs tors. theta energy: -40.616 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: 9, replica: 10 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -920.397933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.397933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.397933 (E_RNA) where: Base-Base interactions energy: -540.159 where: short stacking energy: -276.529 Base-Backbone interact. energy: 0.784 local terms energy: -381.022691 where: bonds (distance) C4'-P energy: -97.038 bonds (distance) P-C4' energy: -98.089 flat angles C4'-P-C4' energy: -105.597 flat angles P-C4'-P energy: -51.531 tors. eta vs tors. theta energy: -28.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -618.873778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.873778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.873778 (E_RNA) where: Base-Base interactions energy: -262.301 where: short stacking energy: -162.932 Base-Backbone interact. energy: -0.875 local terms energy: -355.698482 where: bonds (distance) C4'-P energy: -94.822 bonds (distance) P-C4' energy: -114.653 flat angles C4'-P-C4' energy: -85.647 flat angles P-C4'-P energy: -56.662 tors. eta vs tors. theta energy: -3.915 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: 1, replica: 5 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1940.079821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.079821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.079821 (E_RNA) where: Base-Base interactions energy: -1331.175 where: short stacking energy: -561.517 Base-Backbone interact. energy: -4.275 local terms energy: -604.629945 where: bonds (distance) C4'-P energy: -128.698 bonds (distance) P-C4' energy: -122.519 flat angles C4'-P-C4' energy: -131.882 flat angles P-C4'-P energy: -81.449 tors. eta vs tors. theta energy: -140.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1892.276083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.276083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.276083 (E_RNA) where: Base-Base interactions energy: -1276.346 where: short stacking energy: -589.614 Base-Backbone interact. energy: -1.369 local terms energy: -614.560987 where: bonds (distance) C4'-P energy: -109.284 bonds (distance) P-C4' energy: -134.832 flat angles C4'-P-C4' energy: -128.317 flat angles P-C4'-P energy: -75.861 tors. eta vs tors. theta energy: -166.267 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: 7 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1831.939474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.939474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.939474 (E_RNA) where: Base-Base interactions energy: -1248.745 where: short stacking energy: -577.496 Base-Backbone interact. energy: 0.932 local terms energy: -584.126116 where: bonds (distance) C4'-P energy: -112.053 bonds (distance) P-C4' energy: -119.250 flat angles C4'-P-C4' energy: -134.923 flat angles P-C4'-P energy: -70.434 tors. eta vs tors. theta energy: -147.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1661.080258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.080258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.080258 (E_RNA) where: Base-Base interactions energy: -1135.061 where: short stacking energy: -501.282 Base-Backbone interact. energy: 6.412 local terms energy: -532.431224 where: bonds (distance) C4'-P energy: -105.143 bonds (distance) P-C4' energy: -105.440 flat angles C4'-P-C4' energy: -122.471 flat angles P-C4'-P energy: -84.486 tors. eta vs tors. theta energy: -114.890 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: 5, replica: 9 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1557.027841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.027841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.027841 (E_RNA) where: Base-Base interactions energy: -1009.987 where: short stacking energy: -475.541 Base-Backbone interact. energy: -3.286 local terms energy: -543.754628 where: bonds (distance) C4'-P energy: -106.964 bonds (distance) P-C4' energy: -113.595 flat angles C4'-P-C4' energy: -123.783 flat angles P-C4'-P energy: -74.896 tors. eta vs tors. theta energy: -124.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1373.326194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.326194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.326194 (E_RNA) where: Base-Base interactions energy: -863.649 where: short stacking energy: -427.899 Base-Backbone interact. energy: -1.514 local terms energy: -508.163128 where: bonds (distance) C4'-P energy: -95.241 bonds (distance) P-C4' energy: -110.580 flat angles C4'-P-C4' energy: -121.567 flat angles P-C4'-P energy: -75.800 tors. eta vs tors. theta energy: -104.976 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: 2 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1094.581981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.581981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.581981 (E_RNA) where: Base-Base interactions energy: -652.581 where: short stacking energy: -345.593 Base-Backbone interact. energy: 0.667 local terms energy: -442.667928 where: bonds (distance) C4'-P energy: -104.867 bonds (distance) P-C4' energy: -107.049 flat angles C4'-P-C4' energy: -110.680 flat angles P-C4'-P energy: -60.433 tors. eta vs tors. theta energy: -59.639 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: 10 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -934.909548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.909548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.909548 (E_RNA) where: Base-Base interactions energy: -526.477 where: short stacking energy: -306.200 Base-Backbone interact. energy: 2.457 local terms energy: -410.889795 where: bonds (distance) C4'-P energy: -89.788 bonds (distance) P-C4' energy: -92.470 flat angles C4'-P-C4' energy: -115.655 flat angles P-C4'-P energy: -75.085 tors. eta vs tors. theta energy: -37.891 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: 9, replica: 6 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -853.961730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.961730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.961730 (E_RNA) where: Base-Base interactions energy: -497.773 where: short stacking energy: -246.724 Base-Backbone interact. energy: 5.522 local terms energy: -361.710321 where: bonds (distance) C4'-P energy: -95.314 bonds (distance) P-C4' energy: -109.135 flat angles C4'-P-C4' energy: -86.881 flat angles P-C4'-P energy: -54.619 tors. eta vs tors. theta energy: -15.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -574.216623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.216623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.216623 (E_RNA) where: Base-Base interactions energy: -275.381 where: short stacking energy: -172.119 Base-Backbone interact. energy: 0.227 local terms energy: -299.063160 where: bonds (distance) C4'-P energy: -106.846 bonds (distance) P-C4' energy: -80.402 flat angles C4'-P-C4' energy: -75.322 flat angles P-C4'-P energy: -35.553 tors. eta vs tors. theta energy: -0.940 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: 3 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1955.459039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.459039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.459039 (E_RNA) where: Base-Base interactions energy: -1308.037 where: short stacking energy: -583.278 Base-Backbone interact. energy: -3.937 local terms energy: -643.484870 where: bonds (distance) C4'-P energy: -123.101 bonds (distance) P-C4' energy: -126.198 flat angles C4'-P-C4' energy: -145.560 flat angles P-C4'-P energy: -81.544 tors. eta vs tors. theta energy: -167.082 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: 2, replica: 5 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1898.068813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.068813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.068813 (E_RNA) where: Base-Base interactions energy: -1294.280 where: short stacking energy: -543.466 Base-Backbone interact. energy: -2.917 local terms energy: -600.872101 where: bonds (distance) C4'-P energy: -125.981 bonds (distance) P-C4' energy: -118.519 flat angles C4'-P-C4' energy: -137.120 flat angles P-C4'-P energy: -78.131 tors. eta vs tors. theta energy: -141.121 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: 3, replica: 7 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1808.448065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.448065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.448065 (E_RNA) where: Base-Base interactions energy: -1220.856 where: short stacking energy: -538.932 Base-Backbone interact. energy: 0.607 local terms energy: -588.199468 where: bonds (distance) C4'-P energy: -128.821 bonds (distance) P-C4' energy: -119.659 flat angles C4'-P-C4' energy: -127.395 flat angles P-C4'-P energy: -76.113 tors. eta vs tors. theta energy: -136.210 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: 8 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1652.173928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.173928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.173928 (E_RNA) where: Base-Base interactions energy: -1104.826 where: short stacking energy: -525.855 Base-Backbone interact. energy: -0.417 local terms energy: -546.931342 where: bonds (distance) C4'-P energy: -106.982 bonds (distance) P-C4' energy: -101.549 flat angles C4'-P-C4' energy: -120.880 flat angles P-C4'-P energy: -86.099 tors. eta vs tors. theta energy: -131.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1588.584001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.584001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.584001 (E_RNA) where: Base-Base interactions energy: -1035.034 where: short stacking energy: -479.083 Base-Backbone interact. energy: -2.508 local terms energy: -551.042886 where: bonds (distance) C4'-P energy: -97.296 bonds (distance) P-C4' energy: -111.600 flat angles C4'-P-C4' energy: -128.379 flat angles P-C4'-P energy: -81.440 tors. eta vs tors. theta energy: -132.327 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: 6, replica: 1 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1360.087831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.087831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.087831 (E_RNA) where: Base-Base interactions energy: -833.967 where: short stacking energy: -422.282 Base-Backbone interact. energy: 4.402 local terms energy: -530.522878 where: bonds (distance) C4'-P energy: -115.205 bonds (distance) P-C4' energy: -122.271 flat angles C4'-P-C4' energy: -112.962 flat angles P-C4'-P energy: -78.505 tors. eta vs tors. theta energy: -101.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1114.946855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.946855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.946855 (E_RNA) where: Base-Base interactions energy: -696.556 where: short stacking energy: -325.389 Base-Backbone interact. energy: 4.876 local terms energy: -423.266153 where: bonds (distance) C4'-P energy: -105.261 bonds (distance) P-C4' energy: -116.166 flat angles C4'-P-C4' energy: -88.755 flat angles P-C4'-P energy: -61.540 tors. eta vs tors. theta energy: -51.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -999.236652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.236652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.236652 (E_RNA) where: Base-Base interactions energy: -575.218 where: short stacking energy: -297.499 Base-Backbone interact. energy: -1.275 local terms energy: -422.743767 where: bonds (distance) C4'-P energy: -87.989 bonds (distance) P-C4' energy: -101.701 flat angles C4'-P-C4' energy: -106.942 flat angles P-C4'-P energy: -69.648 tors. eta vs tors. theta energy: -56.464 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: 6 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -886.411603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.411603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.411603 (E_RNA) where: Base-Base interactions energy: -495.553 where: short stacking energy: -270.349 Base-Backbone interact. energy: 3.286 local terms energy: -394.144906 where: bonds (distance) C4'-P energy: -74.479 bonds (distance) P-C4' energy: -100.268 flat angles C4'-P-C4' energy: -103.548 flat angles P-C4'-P energy: -72.002 tors. eta vs tors. theta energy: -43.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -626.412035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.412035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.412035 (E_RNA) where: Base-Base interactions energy: -302.995 where: short stacking energy: -176.483 Base-Backbone interact. energy: 2.216 local terms energy: -325.632348 where: bonds (distance) C4'-P energy: -110.166 bonds (distance) P-C4' energy: -96.543 flat angles C4'-P-C4' energy: -71.369 flat angles P-C4'-P energy: -55.321 tors. eta vs tors. theta energy: 7.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1939.933669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.933669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.933669 (E_RNA) where: Base-Base interactions energy: -1306.197 where: short stacking energy: -592.740 Base-Backbone interact. energy: -1.036 local terms energy: -632.700381 where: bonds (distance) C4'-P energy: -133.102 bonds (distance) P-C4' energy: -130.036 flat angles C4'-P-C4' energy: -133.846 flat angles P-C4'-P energy: -76.866 tors. eta vs tors. theta energy: -158.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1885.072107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.072107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.072107 (E_RNA) where: Base-Base interactions energy: -1300.212 where: short stacking energy: -553.612 Base-Backbone interact. energy: -1.699 local terms energy: -583.161935 where: bonds (distance) C4'-P energy: -104.576 bonds (distance) P-C4' energy: -125.594 flat angles C4'-P-C4' energy: -128.612 flat angles P-C4'-P energy: -82.877 tors. eta vs tors. theta energy: -141.503 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: 3, replica: 7 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1784.055025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.055025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.055025 (E_RNA) where: Base-Base interactions energy: -1222.371 where: short stacking energy: -548.594 Base-Backbone interact. energy: -2.941 local terms energy: -558.743668 where: bonds (distance) C4'-P energy: -109.486 bonds (distance) P-C4' energy: -115.159 flat angles C4'-P-C4' energy: -121.188 flat angles P-C4'-P energy: -86.906 tors. eta vs tors. theta energy: -126.004 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: 8 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1706.849829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.849829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.849829 (E_RNA) where: Base-Base interactions energy: -1110.996 where: short stacking energy: -518.433 Base-Backbone interact. energy: -0.689 local terms energy: -595.165404 where: bonds (distance) C4'-P energy: -115.092 bonds (distance) P-C4' energy: -120.981 flat angles C4'-P-C4' energy: -136.417 flat angles P-C4'-P energy: -76.782 tors. eta vs tors. theta energy: -145.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1638.183031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.183031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.183031 (E_RNA) where: Base-Base interactions energy: -1089.593 where: short stacking energy: -499.174 Base-Backbone interact. energy: -1.668 local terms energy: -546.921839 where: bonds (distance) C4'-P energy: -99.914 bonds (distance) P-C4' energy: -110.060 flat angles C4'-P-C4' energy: -117.119 flat angles P-C4'-P energy: -90.475 tors. eta vs tors. theta energy: -129.353 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: 6, replica: 1 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1375.079509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.079509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.079509 (E_RNA) where: Base-Base interactions energy: -864.536 where: short stacking energy: -421.253 Base-Backbone interact. energy: -1.866 local terms energy: -508.677424 where: bonds (distance) C4'-P energy: -83.636 bonds (distance) P-C4' energy: -131.306 flat angles C4'-P-C4' energy: -107.816 flat angles P-C4'-P energy: -87.185 tors. eta vs tors. theta energy: -98.735 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: 7, replica: 2 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1187.671321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.671321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.671321 (E_RNA) where: Base-Base interactions energy: -720.497 where: short stacking energy: -361.555 Base-Backbone interact. energy: 2.711 local terms energy: -469.885875 where: bonds (distance) C4'-P energy: -113.822 bonds (distance) P-C4' energy: -99.876 flat angles C4'-P-C4' energy: -118.745 flat angles P-C4'-P energy: -73.804 tors. eta vs tors. theta energy: -63.638 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: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -995.852369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.852369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.852369 (E_RNA) where: Base-Base interactions energy: -577.186 where: short stacking energy: -313.365 Base-Backbone interact. energy: 1.016 local terms energy: -419.682901 where: bonds (distance) C4'-P energy: -100.002 bonds (distance) P-C4' energy: -101.747 flat angles C4'-P-C4' energy: -96.261 flat angles P-C4'-P energy: -52.136 tors. eta vs tors. theta energy: -69.537 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: 9, replica: 6 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -808.257689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.257689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.257689 (E_RNA) where: Base-Base interactions energy: -430.645 where: short stacking energy: -233.926 Base-Backbone interact. energy: -0.833 local terms energy: -376.779831 where: bonds (distance) C4'-P energy: -102.535 bonds (distance) P-C4' energy: -96.557 flat angles C4'-P-C4' energy: -93.423 flat angles P-C4'-P energy: -41.254 tors. eta vs tors. theta energy: -43.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -670.873221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.873221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.873221 (E_RNA) where: Base-Base interactions energy: -331.729 where: short stacking energy: -198.696 Base-Backbone interact. energy: 4.600 local terms energy: -343.744793 where: bonds (distance) C4'-P energy: -87.026 bonds (distance) P-C4' energy: -101.266 flat angles C4'-P-C4' energy: -94.984 flat angles P-C4'-P energy: -61.659 tors. eta vs tors. theta energy: 1.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1966.495583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.495583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.495583 (E_RNA) where: Base-Base interactions energy: -1333.507 where: short stacking energy: -594.575 Base-Backbone interact. energy: -0.353 local terms energy: -632.636145 where: bonds (distance) C4'-P energy: -123.788 bonds (distance) P-C4' energy: -125.306 flat angles C4'-P-C4' energy: -139.684 flat angles P-C4'-P energy: -84.203 tors. eta vs tors. theta energy: -159.654 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: 5 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1917.621547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.621547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.621547 (E_RNA) where: Base-Base interactions energy: -1323.835 where: short stacking energy: -570.973 Base-Backbone interact. energy: -5.080 local terms energy: -588.706946 where: bonds (distance) C4'-P energy: -110.959 bonds (distance) P-C4' energy: -125.408 flat angles C4'-P-C4' energy: -124.063 flat angles P-C4'-P energy: -73.823 tors. eta vs tors. theta energy: -154.454 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: 3, replica: 7 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1831.550665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.550665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.550665 (E_RNA) where: Base-Base interactions energy: -1267.331 where: short stacking energy: -544.009 Base-Backbone interact. energy: -3.987 local terms energy: -560.233006 where: bonds (distance) C4'-P energy: -102.666 bonds (distance) P-C4' energy: -111.987 flat angles C4'-P-C4' energy: -128.375 flat angles P-C4'-P energy: -87.440 tors. eta vs tors. theta energy: -129.764 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: 38 Temperature: 1.050000 Total energy: -1606.333639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.333639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.333639 (E_RNA) where: Base-Base interactions energy: -1076.430 where: short stacking energy: -477.705 Base-Backbone interact. energy: -2.782 local terms energy: -527.121162 where: bonds (distance) C4'-P energy: -125.669 bonds (distance) P-C4' energy: -103.980 flat angles C4'-P-C4' energy: -118.908 flat angles P-C4'-P energy: -61.398 tors. eta vs tors. theta energy: -117.166 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: 9 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1699.154418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.154418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.154418 (E_RNA) where: Base-Base interactions energy: -1149.502 where: short stacking energy: -534.001 Base-Backbone interact. energy: -0.439 local terms energy: -549.213137 where: bonds (distance) C4'-P energy: -88.958 bonds (distance) P-C4' energy: -99.257 flat angles C4'-P-C4' energy: -116.567 flat angles P-C4'-P energy: -84.226 tors. eta vs tors. theta energy: -160.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1417.270450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.270450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.270450 (E_RNA) where: Base-Base interactions energy: -914.107 where: short stacking energy: -449.365 Base-Backbone interact. energy: -2.411 local terms energy: -500.753075 where: bonds (distance) C4'-P energy: -115.400 bonds (distance) P-C4' energy: -103.815 flat angles C4'-P-C4' energy: -103.100 flat angles P-C4'-P energy: -81.757 tors. eta vs tors. theta energy: -96.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1179.804840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.804840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.804840 (E_RNA) where: Base-Base interactions energy: -712.190 where: short stacking energy: -343.233 Base-Backbone interact. energy: -2.120 local terms energy: -465.494944 where: bonds (distance) C4'-P energy: -99.369 bonds (distance) P-C4' energy: -118.229 flat angles C4'-P-C4' energy: -107.873 flat angles P-C4'-P energy: -69.243 tors. eta vs tors. theta energy: -70.781 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: 10 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -989.013264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.013264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.013264 (E_RNA) where: Base-Base interactions energy: -562.533 where: short stacking energy: -299.217 Base-Backbone interact. energy: 0.032 local terms energy: -426.511286 where: bonds (distance) C4'-P energy: -107.384 bonds (distance) P-C4' energy: -96.370 flat angles C4'-P-C4' energy: -103.836 flat angles P-C4'-P energy: -61.944 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: 6 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -793.566111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.566111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.566111 (E_RNA) where: Base-Base interactions energy: -433.874 where: short stacking energy: -210.832 Base-Backbone interact. energy: 0.253 local terms energy: -359.944870 where: bonds (distance) C4'-P energy: -99.465 bonds (distance) P-C4' energy: -108.990 flat angles C4'-P-C4' energy: -96.834 flat angles P-C4'-P energy: -37.266 tors. eta vs tors. theta energy: -17.390 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: 4 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -632.664567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.664567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.664567 (E_RNA) where: Base-Base interactions energy: -335.496 where: short stacking energy: -184.610 Base-Backbone interact. energy: 1.205 local terms energy: -298.373877 where: bonds (distance) C4'-P energy: -88.123 bonds (distance) P-C4' energy: -94.072 flat angles C4'-P-C4' energy: -80.411 flat angles P-C4'-P energy: -34.507 tors. eta vs tors. theta energy: -1.261 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: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1964.105823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.105823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.105823 (E_RNA) where: Base-Base interactions energy: -1346.187 where: short stacking energy: -582.416 Base-Backbone interact. energy: -3.609 local terms energy: -614.310374 where: bonds (distance) C4'-P energy: -120.588 bonds (distance) P-C4' energy: -122.788 flat angles C4'-P-C4' energy: -134.798 flat angles P-C4'-P energy: -85.628 tors. eta vs tors. theta energy: -150.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1890.459619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.459619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.459619 (E_RNA) where: Base-Base interactions energy: -1284.630 where: short stacking energy: -552.317 Base-Backbone interact. energy: -3.677 local terms energy: -602.152048 where: bonds (distance) C4'-P energy: -120.151 bonds (distance) P-C4' energy: -128.266 flat angles C4'-P-C4' energy: -134.598 flat angles P-C4'-P energy: -68.537 tors. eta vs tors. theta energy: -150.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1818.290961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.290961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.290961 (E_RNA) where: Base-Base interactions energy: -1238.400 where: short stacking energy: -538.108 Base-Backbone interact. energy: -3.486 local terms energy: -576.404674 where: bonds (distance) C4'-P energy: -114.506 bonds (distance) P-C4' energy: -114.181 flat angles C4'-P-C4' energy: -134.505 flat angles P-C4'-P energy: -73.593 tors. eta vs tors. theta energy: -139.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1738.605186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.605186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.605186 (E_RNA) where: Base-Base interactions energy: -1172.038 where: short stacking energy: -558.532 Base-Backbone interact. energy: -0.409 local terms energy: -566.157343 where: bonds (distance) C4'-P energy: -97.137 bonds (distance) P-C4' energy: -110.155 flat angles C4'-P-C4' energy: -127.128 flat angles P-C4'-P energy: -76.136 tors. eta vs tors. theta energy: -155.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1513.990757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.990757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.990757 (E_RNA) where: Base-Base interactions energy: -1018.176 where: short stacking energy: -452.769 Base-Backbone interact. energy: -4.805 local terms energy: -491.009917 where: bonds (distance) C4'-P energy: -96.654 bonds (distance) P-C4' energy: -111.476 flat angles C4'-P-C4' energy: -121.102 flat angles P-C4'-P energy: -71.251 tors. eta vs tors. theta energy: -90.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1331.142538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.142538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.142538 (E_RNA) where: Base-Base interactions energy: -831.581 where: short stacking energy: -400.370 Base-Backbone interact. energy: -3.393 local terms energy: -496.168124 where: bonds (distance) C4'-P energy: -104.737 bonds (distance) P-C4' energy: -101.556 flat angles C4'-P-C4' energy: -121.273 flat angles P-C4'-P energy: -75.611 tors. eta vs tors. theta energy: -92.991 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: 2 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1174.894300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.894300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.894300 (E_RNA) where: Base-Base interactions energy: -711.843 where: short stacking energy: -350.311 Base-Backbone interact. energy: -0.087 local terms energy: -462.964405 where: bonds (distance) C4'-P energy: -110.689 bonds (distance) P-C4' energy: -101.316 flat angles C4'-P-C4' energy: -113.994 flat angles P-C4'-P energy: -66.156 tors. eta vs tors. theta energy: -70.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -974.836414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.836414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.836414 (E_RNA) where: Base-Base interactions energy: -559.653 where: short stacking energy: -291.921 Base-Backbone interact. energy: 0.446 local terms energy: -415.629174 where: bonds (distance) C4'-P energy: -110.738 bonds (distance) P-C4' energy: -98.523 flat angles C4'-P-C4' energy: -93.948 flat angles P-C4'-P energy: -56.907 tors. eta vs tors. theta energy: -55.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -768.028931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.028931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.028931 (E_RNA) where: Base-Base interactions energy: -395.496 where: short stacking energy: -201.396 Base-Backbone interact. energy: -0.784 local terms energy: -371.748952 where: bonds (distance) C4'-P energy: -94.374 bonds (distance) P-C4' energy: -112.129 flat angles C4'-P-C4' energy: -87.159 flat angles P-C4'-P energy: -70.063 tors. eta vs tors. theta energy: -8.024 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: 10, replica: 4 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -654.265210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.265210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.265210 (E_RNA) where: Base-Base interactions energy: -312.879 where: short stacking energy: -197.133 Base-Backbone interact. energy: 7.698 local terms energy: -349.083393 where: bonds (distance) C4'-P energy: -105.901 bonds (distance) P-C4' energy: -108.428 flat angles C4'-P-C4' energy: -94.866 flat angles P-C4'-P energy: -45.902 tors. eta vs tors. theta energy: 6.014 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: 3 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1961.659267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.659267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.659267 (E_RNA) where: Base-Base interactions energy: -1313.393 where: short stacking energy: -591.156 Base-Backbone interact. energy: -1.257 local terms energy: -647.008911 where: bonds (distance) C4'-P energy: -127.151 bonds (distance) P-C4' energy: -138.255 flat angles C4'-P-C4' energy: -136.962 flat angles P-C4'-P energy: -85.547 tors. eta vs tors. theta energy: -159.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1913.332291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.332291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.332291 (E_RNA) where: Base-Base interactions energy: -1311.141 where: short stacking energy: -557.253 Base-Backbone interact. energy: -1.069 local terms energy: -601.121954 where: bonds (distance) C4'-P energy: -122.132 bonds (distance) P-C4' energy: -117.672 flat angles C4'-P-C4' energy: -134.925 flat angles P-C4'-P energy: -78.844 tors. eta vs tors. theta energy: -147.549 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: 7 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1818.738067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.738067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.738067 (E_RNA) where: Base-Base interactions energy: -1233.196 where: short stacking energy: -530.264 Base-Backbone interact. energy: -2.737 local terms energy: -582.805286 where: bonds (distance) C4'-P energy: -109.779 bonds (distance) P-C4' energy: -126.424 flat angles C4'-P-C4' energy: -130.695 flat angles P-C4'-P energy: -83.250 tors. eta vs tors. theta energy: -132.657 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: 4, replica: 9 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1755.249377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.249377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.249377 (E_RNA) where: Base-Base interactions energy: -1179.565 where: short stacking energy: -559.077 Base-Backbone interact. energy: -3.623 local terms energy: -572.061334 where: bonds (distance) C4'-P energy: -102.373 bonds (distance) P-C4' energy: -100.880 flat angles C4'-P-C4' energy: -131.713 flat angles P-C4'-P energy: -91.556 tors. eta vs tors. theta energy: -145.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1517.362249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.362249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.362249 (E_RNA) where: Base-Base interactions energy: -998.716 where: short stacking energy: -474.614 Base-Backbone interact. energy: -1.950 local terms energy: -516.697030 where: bonds (distance) C4'-P energy: -100.529 bonds (distance) P-C4' energy: -125.295 flat angles C4'-P-C4' energy: -115.916 flat angles P-C4'-P energy: -68.780 tors. eta vs tors. theta energy: -106.177 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: 1 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1309.807670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.807670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.807670 (E_RNA) where: Base-Base interactions energy: -816.862 where: short stacking energy: -400.914 Base-Backbone interact. energy: 0.500 local terms energy: -493.446282 where: bonds (distance) C4'-P energy: -102.702 bonds (distance) P-C4' energy: -117.572 flat angles C4'-P-C4' energy: -110.199 flat angles P-C4'-P energy: -65.946 tors. eta vs tors. theta energy: -97.028 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: 7, replica: 2 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1136.933446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.933446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.933446 (E_RNA) where: Base-Base interactions energy: -681.133 where: short stacking energy: -351.761 Base-Backbone interact. energy: 0.029 local terms energy: -455.829661 where: bonds (distance) C4'-P energy: -97.235 bonds (distance) P-C4' energy: -111.286 flat angles C4'-P-C4' energy: -111.986 flat angles P-C4'-P energy: -65.740 tors. eta vs tors. theta energy: -69.583 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: 10 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1021.010373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.010373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.010373 (E_RNA) where: Base-Base interactions energy: -622.180 where: short stacking energy: -317.088 Base-Backbone interact. energy: -0.668 local terms energy: -398.162321 where: bonds (distance) C4'-P energy: -80.975 bonds (distance) P-C4' energy: -108.604 flat angles C4'-P-C4' energy: -96.052 flat angles P-C4'-P energy: -55.007 tors. eta vs tors. theta energy: -57.524 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: 9, replica: 6 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -737.711109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.711109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.711109 (E_RNA) where: Base-Base interactions energy: -374.660 where: short stacking energy: -193.796 Base-Backbone interact. energy: -1.185 local terms energy: -361.865974 where: bonds (distance) C4'-P energy: -89.179 bonds (distance) P-C4' energy: -108.617 flat angles C4'-P-C4' energy: -87.010 flat angles P-C4'-P energy: -73.968 tors. eta vs tors. theta energy: -3.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -639.609684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.609684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.609684 (E_RNA) where: Base-Base interactions energy: -287.790 where: short stacking energy: -196.384 Base-Backbone interact. energy: -2.590 local terms energy: -349.229099 where: bonds (distance) C4'-P energy: -59.430 bonds (distance) P-C4' energy: -108.640 flat angles C4'-P-C4' energy: -90.133 flat angles P-C4'-P energy: -69.231 tors. eta vs tors. theta energy: -21.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1980.951375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.951375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.951375 (E_RNA) where: Base-Base interactions energy: -1331.425 where: short stacking energy: -596.108 Base-Backbone interact. energy: 0.143 local terms energy: -649.669079 where: bonds (distance) C4'-P energy: -126.800 bonds (distance) P-C4' energy: -129.481 flat angles C4'-P-C4' energy: -135.640 flat angles P-C4'-P energy: -79.510 tors. eta vs tors. theta energy: -178.238 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: 2, replica: 5 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1946.490639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.490639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.490639 (E_RNA) where: Base-Base interactions energy: -1344.536 where: short stacking energy: -573.167 Base-Backbone interact. energy: -0.815 local terms energy: -601.139128 where: bonds (distance) C4'-P energy: -119.518 bonds (distance) P-C4' energy: -122.067 flat angles C4'-P-C4' energy: -126.064 flat angles P-C4'-P energy: -87.622 tors. eta vs tors. theta energy: -145.867 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: 7 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1806.519064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.519064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.519064 (E_RNA) where: Base-Base interactions energy: -1202.515 where: short stacking energy: -524.480 Base-Backbone interact. energy: -3.375 local terms energy: -600.629441 where: bonds (distance) C4'-P energy: -133.221 bonds (distance) P-C4' energy: -120.747 flat angles C4'-P-C4' energy: -122.990 flat angles P-C4'-P energy: -86.467 tors. eta vs tors. theta energy: -137.204 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: 4, replica: 9 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1712.296805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.296805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.296805 (E_RNA) where: Base-Base interactions energy: -1157.406 where: short stacking energy: -523.928 Base-Backbone interact. energy: 0.887 local terms energy: -555.777163 where: bonds (distance) C4'-P energy: -102.427 bonds (distance) P-C4' energy: -109.276 flat angles C4'-P-C4' energy: -124.367 flat angles P-C4'-P energy: -73.107 tors. eta vs tors. theta energy: -146.600 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: 8 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1516.133587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.133587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.133587 (E_RNA) where: Base-Base interactions energy: -991.684 where: short stacking energy: -457.130 Base-Backbone interact. energy: -2.174 local terms energy: -522.275125 where: bonds (distance) C4'-P energy: -120.303 bonds (distance) P-C4' energy: -117.187 flat angles C4'-P-C4' energy: -111.548 flat angles P-C4'-P energy: -72.446 tors. eta vs tors. theta energy: -100.791 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: 6, replica: 1 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1363.166087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.166087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.166087 (E_RNA) where: Base-Base interactions energy: -900.293 where: short stacking energy: -390.785 Base-Backbone interact. energy: -0.825 local terms energy: -462.048609 where: bonds (distance) C4'-P energy: -99.837 bonds (distance) P-C4' energy: -101.922 flat angles C4'-P-C4' energy: -110.141 flat angles P-C4'-P energy: -67.509 tors. eta vs tors. theta energy: -82.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1126.352473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.352473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.352473 (E_RNA) where: Base-Base interactions energy: -696.337 where: short stacking energy: -334.420 Base-Backbone interact. energy: 4.979 local terms energy: -434.994471 where: bonds (distance) C4'-P energy: -97.196 bonds (distance) P-C4' energy: -106.465 flat angles C4'-P-C4' energy: -106.668 flat angles P-C4'-P energy: -56.020 tors. eta vs tors. theta energy: -68.645 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: 10 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1012.656879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.656879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.656879 (E_RNA) where: Base-Base interactions energy: -604.385 where: short stacking energy: -309.191 Base-Backbone interact. energy: -1.363 local terms energy: -406.908880 where: bonds (distance) C4'-P energy: -97.124 bonds (distance) P-C4' energy: -103.427 flat angles C4'-P-C4' energy: -101.563 flat angles P-C4'-P energy: -58.809 tors. eta vs tors. theta energy: -45.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -827.923760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.923760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.923760 (E_RNA) where: Base-Base interactions energy: -439.357 where: short stacking energy: -225.784 Base-Backbone interact. energy: -4.515 local terms energy: -384.052133 where: bonds (distance) C4'-P energy: -103.592 bonds (distance) P-C4' energy: -95.170 flat angles C4'-P-C4' energy: -110.290 flat angles P-C4'-P energy: -61.448 tors. eta vs tors. theta energy: -13.553 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: 4 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -625.815702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.815702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.815702 (E_RNA) where: Base-Base interactions energy: -320.526 where: short stacking energy: -196.543 Base-Backbone interact. energy: 8.047 local terms energy: -313.336799 where: bonds (distance) C4'-P energy: -86.134 bonds (distance) P-C4' energy: -105.733 flat angles C4'-P-C4' energy: -77.648 flat angles P-C4'-P energy: -52.064 tors. eta vs tors. theta energy: 8.242 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: 3 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2007.666102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.666102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.666102 (E_RNA) where: Base-Base interactions energy: -1364.611 where: short stacking energy: -588.539 Base-Backbone interact. energy: -2.657 local terms energy: -640.397649 where: bonds (distance) C4'-P energy: -126.126 bonds (distance) P-C4' energy: -120.492 flat angles C4'-P-C4' energy: -143.902 flat angles P-C4'-P energy: -86.068 tors. eta vs tors. theta energy: -163.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1926.986759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.986759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.986759 (E_RNA) where: Base-Base interactions energy: -1321.150 where: short stacking energy: -563.000 Base-Backbone interact. energy: -1.129 local terms energy: -604.707595 where: bonds (distance) C4'-P energy: -117.383 bonds (distance) P-C4' energy: -132.301 flat angles C4'-P-C4' energy: -126.744 flat angles P-C4'-P energy: -83.606 tors. eta vs tors. theta energy: -144.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1835.562930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.562930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.562930 (E_RNA) where: Base-Base interactions energy: -1247.513 where: short stacking energy: -562.948 Base-Backbone interact. energy: -7.030 local terms energy: -581.020307 where: bonds (distance) C4'-P energy: -112.596 bonds (distance) P-C4' energy: -125.795 flat angles C4'-P-C4' energy: -120.541 flat angles P-C4'-P energy: -78.628 tors. eta vs tors. theta energy: -143.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1750.638472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.638472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.638472 (E_RNA) where: Base-Base interactions energy: -1207.721 where: short stacking energy: -539.964 Base-Backbone interact. energy: -3.073 local terms energy: -539.844355 where: bonds (distance) C4'-P energy: -115.406 bonds (distance) P-C4' energy: -102.231 flat angles C4'-P-C4' energy: -116.921 flat angles P-C4'-P energy: -72.178 tors. eta vs tors. theta energy: -133.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1563.976790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.976790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.976790 (E_RNA) where: Base-Base interactions energy: -1054.346 where: short stacking energy: -465.789 Base-Backbone interact. energy: -1.162 local terms energy: -508.469128 where: bonds (distance) C4'-P energy: -92.520 bonds (distance) P-C4' energy: -102.975 flat angles C4'-P-C4' energy: -128.988 flat angles P-C4'-P energy: -71.970 tors. eta vs tors. theta energy: -112.016 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: 1 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1407.287683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.287683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.287683 (E_RNA) where: Base-Base interactions energy: -891.634 where: short stacking energy: -424.567 Base-Backbone interact. energy: -0.887 local terms energy: -514.766854 where: bonds (distance) C4'-P energy: -102.035 bonds (distance) P-C4' energy: -121.775 flat angles C4'-P-C4' energy: -108.754 flat angles P-C4'-P energy: -73.671 tors. eta vs tors. theta energy: -108.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1120.853711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.853711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.853711 (E_RNA) where: Base-Base interactions energy: -678.237 where: short stacking energy: -356.104 Base-Backbone interact. energy: 5.078 local terms energy: -447.694560 where: bonds (distance) C4'-P energy: -98.862 bonds (distance) P-C4' energy: -114.522 flat angles C4'-P-C4' energy: -97.894 flat angles P-C4'-P energy: -64.468 tors. eta vs tors. theta energy: -71.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -997.380931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.380931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.380931 (E_RNA) where: Base-Base interactions energy: -590.080 where: short stacking energy: -296.843 Base-Backbone interact. energy: 0.736 local terms energy: -408.037423 where: bonds (distance) C4'-P energy: -91.585 bonds (distance) P-C4' energy: -103.551 flat angles C4'-P-C4' energy: -91.703 flat angles P-C4'-P energy: -75.719 tors. eta vs tors. theta energy: -45.480 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: 6 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -814.927923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.927923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.927923 (E_RNA) where: Base-Base interactions energy: -445.541 where: short stacking energy: -240.645 Base-Backbone interact. energy: -0.006 local terms energy: -369.380972 where: bonds (distance) C4'-P energy: -94.664 bonds (distance) P-C4' energy: -118.232 flat angles C4'-P-C4' energy: -84.582 flat angles P-C4'-P energy: -54.314 tors. eta vs tors. theta energy: -17.589 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: 4 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -589.141156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.141156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.141156 (E_RNA) where: Base-Base interactions energy: -291.798 where: short stacking energy: -174.569 Base-Backbone interact. energy: -4.245 local terms energy: -293.098947 where: bonds (distance) C4'-P energy: -76.214 bonds (distance) P-C4' energy: -103.487 flat angles C4'-P-C4' energy: -73.112 flat angles P-C4'-P energy: -62.461 tors. eta vs tors. theta energy: 22.176 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: 3 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2010.950862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.950862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.950862 (E_RNA) where: Base-Base interactions energy: -1389.051 where: short stacking energy: -611.685 Base-Backbone interact. energy: -2.121 local terms energy: -619.778650 where: bonds (distance) C4'-P energy: -117.269 bonds (distance) P-C4' energy: -130.011 flat angles C4'-P-C4' energy: -127.648 flat angles P-C4'-P energy: -85.933 tors. eta vs tors. theta energy: -158.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1874.809669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.809669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.809669 (E_RNA) where: Base-Base interactions energy: -1290.095 where: short stacking energy: -543.565 Base-Backbone interact. energy: -1.957 local terms energy: -582.758351 where: bonds (distance) C4'-P energy: -110.489 bonds (distance) P-C4' energy: -119.252 flat angles C4'-P-C4' energy: -116.134 flat angles P-C4'-P energy: -95.035 tors. eta vs tors. theta energy: -141.848 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: 7 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1839.723620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.723620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.723620 (E_RNA) where: Base-Base interactions energy: -1251.783 where: short stacking energy: -558.020 Base-Backbone interact. energy: -3.900 local terms energy: -584.040820 where: bonds (distance) C4'-P energy: -102.915 bonds (distance) P-C4' energy: -123.792 flat angles C4'-P-C4' energy: -120.672 flat angles P-C4'-P energy: -87.339 tors. eta vs tors. theta energy: -149.323 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: 4, replica: 9 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1703.969580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.969580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.969580 (E_RNA) where: Base-Base interactions energy: -1145.725 where: short stacking energy: -522.980 Base-Backbone interact. energy: -2.765 local terms energy: -555.479844 where: bonds (distance) C4'-P energy: -100.614 bonds (distance) P-C4' energy: -106.804 flat angles C4'-P-C4' energy: -120.236 flat angles P-C4'-P energy: -96.514 tors. eta vs tors. theta energy: -131.312 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: 8 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1580.254176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.254176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.254176 (E_RNA) where: Base-Base interactions energy: -1025.963 where: short stacking energy: -458.482 Base-Backbone interact. energy: -6.349 local terms energy: -547.942404 where: bonds (distance) C4'-P energy: -96.655 bonds (distance) P-C4' energy: -126.632 flat angles C4'-P-C4' energy: -118.514 flat angles P-C4'-P energy: -76.333 tors. eta vs tors. theta energy: -129.809 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: 1 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1395.884518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.884518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.884518 (E_RNA) where: Base-Base interactions energy: -872.146 where: short stacking energy: -430.786 Base-Backbone interact. energy: -2.265 local terms energy: -521.473065 where: bonds (distance) C4'-P energy: -106.205 bonds (distance) P-C4' energy: -115.203 flat angles C4'-P-C4' energy: -122.665 flat angles P-C4'-P energy: -77.579 tors. eta vs tors. theta energy: -99.821 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: 2 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1116.358728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.358728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.358728 (E_RNA) where: Base-Base interactions energy: -661.664 where: short stacking energy: -327.124 Base-Backbone interact. energy: -1.882 local terms energy: -452.812286 where: bonds (distance) C4'-P energy: -95.485 bonds (distance) P-C4' energy: -129.804 flat angles C4'-P-C4' energy: -115.592 flat angles P-C4'-P energy: -55.536 tors. eta vs tors. theta energy: -56.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1001.929161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.929161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.929161 (E_RNA) where: Base-Base interactions energy: -604.592 where: short stacking energy: -323.604 Base-Backbone interact. energy: -1.458 local terms energy: -395.879255 where: bonds (distance) C4'-P energy: -81.974 bonds (distance) P-C4' energy: -115.600 flat angles C4'-P-C4' energy: -91.036 flat angles P-C4'-P energy: -50.718 tors. eta vs tors. theta energy: -56.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -781.157647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.157647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.157647 (E_RNA) where: Base-Base interactions energy: -397.883 where: short stacking energy: -209.098 Base-Backbone interact. energy: 1.408 local terms energy: -384.682211 where: bonds (distance) C4'-P energy: -98.051 bonds (distance) P-C4' energy: -109.845 flat angles C4'-P-C4' energy: -81.479 flat angles P-C4'-P energy: -78.728 tors. eta vs tors. theta energy: -16.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -577.965739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.965739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.965739 (E_RNA) where: Base-Base interactions energy: -251.128 where: short stacking energy: -175.026 Base-Backbone interact. energy: 0.250 local terms energy: -327.087837 where: bonds (distance) C4'-P energy: -80.320 bonds (distance) P-C4' energy: -90.516 flat angles C4'-P-C4' energy: -91.084 flat angles P-C4'-P energy: -60.479 tors. eta vs tors. theta energy: -4.689 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: 3 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2005.067806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.067806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.067806 (E_RNA) where: Base-Base interactions energy: -1374.724 where: short stacking energy: -608.348 Base-Backbone interact. energy: -3.214 local terms energy: -627.129853 where: bonds (distance) C4'-P energy: -124.354 bonds (distance) P-C4' energy: -120.339 flat angles C4'-P-C4' energy: -139.221 flat angles P-C4'-P energy: -77.539 tors. eta vs tors. theta energy: -165.676 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: 5 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1902.917165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.917165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.917165 (E_RNA) where: Base-Base interactions energy: -1287.773 where: short stacking energy: -562.394 Base-Backbone interact. energy: -4.604 local terms energy: -610.540326 where: bonds (distance) C4'-P energy: -131.892 bonds (distance) P-C4' energy: -120.171 flat angles C4'-P-C4' energy: -127.518 flat angles P-C4'-P energy: -76.550 tors. eta vs tors. theta energy: -154.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1880.142889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.142889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.142889 (E_RNA) where: Base-Base interactions energy: -1282.330 where: short stacking energy: -537.839 Base-Backbone interact. energy: -4.308 local terms energy: -593.505599 where: bonds (distance) C4'-P energy: -118.051 bonds (distance) P-C4' energy: -117.213 flat angles C4'-P-C4' energy: -130.302 flat angles P-C4'-P energy: -79.684 tors. eta vs tors. theta energy: -148.256 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: 4, replica: 9 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1679.719599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.719599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.719599 (E_RNA) where: Base-Base interactions energy: -1133.540 where: short stacking energy: -511.779 Base-Backbone interact. energy: -1.344 local terms energy: -544.835701 where: bonds (distance) C4'-P energy: -102.409 bonds (distance) P-C4' energy: -109.451 flat angles C4'-P-C4' energy: -125.747 flat angles P-C4'-P energy: -75.487 tors. eta vs tors. theta energy: -131.742 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: 5, replica: 8 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1534.957919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.957919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.957919 (E_RNA) where: Base-Base interactions energy: -1039.576 where: short stacking energy: -453.174 Base-Backbone interact. energy: 7.592 local terms energy: -502.974439 where: bonds (distance) C4'-P energy: -115.229 bonds (distance) P-C4' energy: -101.953 flat angles C4'-P-C4' energy: -112.372 flat angles P-C4'-P energy: -68.292 tors. eta vs tors. theta energy: -105.128 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: 1 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1387.677018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.677018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.677018 (E_RNA) where: Base-Base interactions energy: -885.636 where: short stacking energy: -420.687 Base-Backbone interact. energy: -1.974 local terms energy: -500.066887 where: bonds (distance) C4'-P energy: -113.626 bonds (distance) P-C4' energy: -91.503 flat angles C4'-P-C4' energy: -121.070 flat angles P-C4'-P energy: -74.492 tors. eta vs tors. theta energy: -99.376 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: 7, replica: 2 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1121.919158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.919158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.919158 (E_RNA) where: Base-Base interactions energy: -671.584 where: short stacking energy: -330.221 Base-Backbone interact. energy: 0.485 local terms energy: -450.819924 where: bonds (distance) C4'-P energy: -105.119 bonds (distance) P-C4' energy: -125.049 flat angles C4'-P-C4' energy: -106.873 flat angles P-C4'-P energy: -57.618 tors. eta vs tors. theta energy: -56.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -993.738286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.738286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.738286 (E_RNA) where: Base-Base interactions energy: -609.901 where: short stacking energy: -315.066 Base-Backbone interact. energy: -1.192 local terms energy: -382.645387 where: bonds (distance) C4'-P energy: -94.860 bonds (distance) P-C4' energy: -99.718 flat angles C4'-P-C4' energy: -91.130 flat angles P-C4'-P energy: -49.386 tors. eta vs tors. theta energy: -47.552 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: 9, replica: 6 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -797.479550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.479550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.479550 (E_RNA) where: Base-Base interactions energy: -437.717 where: short stacking energy: -233.320 Base-Backbone interact. energy: 0.794 local terms energy: -360.556359 where: bonds (distance) C4'-P energy: -75.516 bonds (distance) P-C4' energy: -109.673 flat angles C4'-P-C4' energy: -96.323 flat angles P-C4'-P energy: -53.915 tors. eta vs tors. theta energy: -25.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -561.033302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.033302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.033302 (E_RNA) where: Base-Base interactions energy: -243.765 where: short stacking energy: -159.134 Base-Backbone interact. energy: 3.798 local terms energy: -321.066727 where: bonds (distance) C4'-P energy: -87.808 bonds (distance) P-C4' energy: -103.310 flat angles C4'-P-C4' energy: -92.064 flat angles P-C4'-P energy: -52.993 tors. eta vs tors. theta energy: 15.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2029.849688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.849688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.849688 (E_RNA) where: Base-Base interactions energy: -1396.981 where: short stacking energy: -625.209 Base-Backbone interact. energy: 0.755 local terms energy: -633.623774 where: bonds (distance) C4'-P energy: -113.078 bonds (distance) P-C4' energy: -124.515 flat angles C4'-P-C4' energy: -138.602 flat angles P-C4'-P energy: -89.150 tors. eta vs tors. theta energy: -168.279 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: 5 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1920.605437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.605437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.605437 (E_RNA) where: Base-Base interactions energy: -1315.615 where: short stacking energy: -558.544 Base-Backbone interact. energy: 1.318 local terms energy: -606.308095 where: bonds (distance) C4'-P energy: -113.637 bonds (distance) P-C4' energy: -125.053 flat angles C4'-P-C4' energy: -134.392 flat angles P-C4'-P energy: -82.041 tors. eta vs tors. theta energy: -151.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1870.998256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.998256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.998256 (E_RNA) where: Base-Base interactions energy: -1273.565 where: short stacking energy: -548.984 Base-Backbone interact. energy: -0.253 local terms energy: -597.179915 where: bonds (distance) C4'-P energy: -107.022 bonds (distance) P-C4' energy: -125.952 flat angles C4'-P-C4' energy: -133.606 flat angles P-C4'-P energy: -91.478 tors. eta vs tors. theta energy: -139.122 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: 4, replica: 9 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1693.277928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.277928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.277928 (E_RNA) where: Base-Base interactions energy: -1120.270 where: short stacking energy: -532.918 Base-Backbone interact. energy: -3.410 local terms energy: -569.598139 where: bonds (distance) C4'-P energy: -105.011 bonds (distance) P-C4' energy: -119.366 flat angles C4'-P-C4' energy: -118.506 flat angles P-C4'-P energy: -85.382 tors. eta vs tors. theta energy: -141.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1517.043447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.043447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.043447 (E_RNA) where: Base-Base interactions energy: -995.699 where: short stacking energy: -450.211 Base-Backbone interact. energy: 1.006 local terms energy: -522.350128 where: bonds (distance) C4'-P energy: -113.991 bonds (distance) P-C4' energy: -110.704 flat angles C4'-P-C4' energy: -109.594 flat angles P-C4'-P energy: -83.641 tors. eta vs tors. theta energy: -104.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1408.439788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.439788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.439788 (E_RNA) where: Base-Base interactions energy: -904.866 where: short stacking energy: -408.216 Base-Backbone interact. energy: 0.581 local terms energy: -504.155372 where: bonds (distance) C4'-P energy: -101.296 bonds (distance) P-C4' energy: -121.723 flat angles C4'-P-C4' energy: -116.229 flat angles P-C4'-P energy: -73.197 tors. eta vs tors. theta energy: -91.712 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: 2 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -983.926697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.926697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.926697 (E_RNA) where: Base-Base interactions energy: -566.427 where: short stacking energy: -305.411 Base-Backbone interact. energy: -0.110 local terms energy: -417.389670 where: bonds (distance) C4'-P energy: -104.326 bonds (distance) P-C4' energy: -101.687 flat angles C4'-P-C4' energy: -95.607 flat angles P-C4'-P energy: -73.845 tors. eta vs tors. theta energy: -41.925 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: 10 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -978.435662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.435662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.435662 (E_RNA) where: Base-Base interactions energy: -566.736 where: short stacking energy: -316.540 Base-Backbone interact. energy: 2.628 local terms energy: -414.327380 where: bonds (distance) C4'-P energy: -104.292 bonds (distance) P-C4' energy: -100.875 flat angles C4'-P-C4' energy: -108.836 flat angles P-C4'-P energy: -50.145 tors. eta vs tors. theta energy: -50.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -849.594300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.594300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.594300 (E_RNA) where: Base-Base interactions energy: -481.514 where: short stacking energy: -260.515 Base-Backbone interact. energy: -3.204 local terms energy: -364.876498 where: bonds (distance) C4'-P energy: -103.454 bonds (distance) P-C4' energy: -91.738 flat angles C4'-P-C4' energy: -95.631 flat angles P-C4'-P energy: -51.682 tors. eta vs tors. theta energy: -22.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -579.867890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.867890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.867890 (E_RNA) where: Base-Base interactions energy: -268.239 where: short stacking energy: -166.785 Base-Backbone interact. energy: -1.521 local terms energy: -310.108098 where: bonds (distance) C4'-P energy: -104.352 bonds (distance) P-C4' energy: -109.590 flat angles C4'-P-C4' energy: -73.875 flat angles P-C4'-P energy: -32.372 tors. eta vs tors. theta energy: 10.081 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: 3 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2061.952754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.952754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.952754 (E_RNA) where: Base-Base interactions energy: -1420.694 where: short stacking energy: -632.491 Base-Backbone interact. energy: -1.143 local terms energy: -640.115469 where: bonds (distance) C4'-P energy: -126.422 bonds (distance) P-C4' energy: -126.252 flat angles C4'-P-C4' energy: -136.324 flat angles P-C4'-P energy: -81.121 tors. eta vs tors. theta energy: -169.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1891.468869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.468869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.468869 (E_RNA) where: Base-Base interactions energy: -1289.642 where: short stacking energy: -572.712 Base-Backbone interact. energy: 2.160 local terms energy: -603.987206 where: bonds (distance) C4'-P energy: -116.229 bonds (distance) P-C4' energy: -127.784 flat angles C4'-P-C4' energy: -131.643 flat angles P-C4'-P energy: -73.867 tors. eta vs tors. theta energy: -154.464 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: 7 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1875.126689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.126689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.126689 (E_RNA) where: Base-Base interactions energy: -1303.317 where: short stacking energy: -555.184 Base-Backbone interact. energy: -2.647 local terms energy: -569.163387 where: bonds (distance) C4'-P energy: -88.395 bonds (distance) P-C4' energy: -120.117 flat angles C4'-P-C4' energy: -129.297 flat angles P-C4'-P energy: -86.653 tors. eta vs tors. theta energy: -144.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1729.896377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.896377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.896377 (E_RNA) where: Base-Base interactions energy: -1144.624 where: short stacking energy: -509.165 Base-Backbone interact. energy: -0.247 local terms energy: -585.025634 where: bonds (distance) C4'-P energy: -116.301 bonds (distance) P-C4' energy: -119.815 flat angles C4'-P-C4' energy: -121.364 flat angles P-C4'-P energy: -78.170 tors. eta vs tors. theta energy: -149.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1647.501302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.501302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.501302 (E_RNA) where: Base-Base interactions energy: -1100.318 where: short stacking energy: -506.959 Base-Backbone interact. energy: 0.219 local terms energy: -547.402905 where: bonds (distance) C4'-P energy: -121.854 bonds (distance) P-C4' energy: -116.553 flat angles C4'-P-C4' energy: -122.919 flat angles P-C4'-P energy: -68.558 tors. eta vs tors. theta energy: -117.519 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: 1 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1413.048743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.048743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.048743 (E_RNA) where: Base-Base interactions energy: -884.947 where: short stacking energy: -417.370 Base-Backbone interact. energy: -0.772 local terms energy: -527.330397 where: bonds (distance) C4'-P energy: -104.597 bonds (distance) P-C4' energy: -121.717 flat angles C4'-P-C4' energy: -109.753 flat angles P-C4'-P energy: -79.857 tors. eta vs tors. theta energy: -111.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1011.311341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.311341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.311341 (E_RNA) where: Base-Base interactions energy: -566.904 where: short stacking energy: -300.016 Base-Backbone interact. energy: 5.208 local terms energy: -449.615672 where: bonds (distance) C4'-P energy: -91.044 bonds (distance) P-C4' energy: -112.605 flat angles C4'-P-C4' energy: -107.304 flat angles P-C4'-P energy: -79.021 tors. eta vs tors. theta energy: -59.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -897.052699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.052699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.052699 (E_RNA) where: Base-Base interactions energy: -452.736 where: short stacking energy: -265.839 Base-Backbone interact. energy: -2.323 local terms energy: -441.994341 where: bonds (distance) C4'-P energy: -104.420 bonds (distance) P-C4' energy: -123.272 flat angles C4'-P-C4' energy: -107.892 flat angles P-C4'-P energy: -71.506 tors. eta vs tors. theta energy: -34.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -827.302106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.302106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.302106 (E_RNA) where: Base-Base interactions energy: -478.962 where: short stacking energy: -252.707 Base-Backbone interact. energy: 7.310 local terms energy: -355.650462 where: bonds (distance) C4'-P energy: -106.882 bonds (distance) P-C4' energy: -82.193 flat angles C4'-P-C4' energy: -87.899 flat angles P-C4'-P energy: -54.957 tors. eta vs tors. theta energy: -23.719 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: 10, replica: 4 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -589.911765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.911765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.911765 (E_RNA) where: Base-Base interactions energy: -280.090 where: short stacking energy: -170.350 Base-Backbone interact. energy: 2.099 local terms energy: -311.920178 where: bonds (distance) C4'-P energy: -100.052 bonds (distance) P-C4' energy: -89.472 flat angles C4'-P-C4' energy: -94.656 flat angles P-C4'-P energy: -54.376 tors. eta vs tors. theta energy: 26.636 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: 3 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2029.628488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.628488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.628488 (E_RNA) where: Base-Base interactions energy: -1392.493 where: short stacking energy: -594.300 Base-Backbone interact. energy: -3.345 local terms energy: -633.790507 where: bonds (distance) C4'-P energy: -121.337 bonds (distance) P-C4' energy: -128.257 flat angles C4'-P-C4' energy: -137.393 flat angles P-C4'-P energy: -81.925 tors. eta vs tors. theta energy: -164.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1949.962851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.962851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.962851 (E_RNA) where: Base-Base interactions energy: -1340.373 where: short stacking energy: -572.011 Base-Backbone interact. energy: 2.484 local terms energy: -612.073962 where: bonds (distance) C4'-P energy: -109.359 bonds (distance) P-C4' energy: -119.467 flat angles C4'-P-C4' energy: -136.830 flat angles P-C4'-P energy: -94.051 tors. eta vs tors. theta energy: -152.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1872.276904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.276904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.276904 (E_RNA) where: Base-Base interactions energy: -1277.210 where: short stacking energy: -568.893 Base-Backbone interact. energy: -2.605 local terms energy: -592.462291 where: bonds (distance) C4'-P energy: -105.008 bonds (distance) P-C4' energy: -126.583 flat angles C4'-P-C4' energy: -129.227 flat angles P-C4'-P energy: -86.406 tors. eta vs tors. theta energy: -145.238 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: 4, replica: 9 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1711.728959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.728959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.728959 (E_RNA) where: Base-Base interactions energy: -1150.668 where: short stacking energy: -531.595 Base-Backbone interact. energy: 0.032 local terms energy: -561.092834 where: bonds (distance) C4'-P energy: -115.363 bonds (distance) P-C4' energy: -110.047 flat angles C4'-P-C4' energy: -129.447 flat angles P-C4'-P energy: -70.368 tors. eta vs tors. theta energy: -135.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1570.414514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.414514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.414514 (E_RNA) where: Base-Base interactions energy: -1046.373 where: short stacking energy: -463.683 Base-Backbone interact. energy: 0.076 local terms energy: -524.116783 where: bonds (distance) C4'-P energy: -105.358 bonds (distance) P-C4' energy: -114.387 flat angles C4'-P-C4' energy: -129.222 flat angles P-C4'-P energy: -68.081 tors. eta vs tors. theta energy: -107.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1419.628659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.628659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.628659 (E_RNA) where: Base-Base interactions energy: -918.805 where: short stacking energy: -437.298 Base-Backbone interact. energy: -2.210 local terms energy: -498.614285 where: bonds (distance) C4'-P energy: -103.642 bonds (distance) P-C4' energy: -99.083 flat angles C4'-P-C4' energy: -120.452 flat angles P-C4'-P energy: -72.201 tors. eta vs tors. theta energy: -103.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1016.447720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.447720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.447720 (E_RNA) where: Base-Base interactions energy: -605.330 where: short stacking energy: -319.981 Base-Backbone interact. energy: -0.498 local terms energy: -410.619889 where: bonds (distance) C4'-P energy: -74.818 bonds (distance) P-C4' energy: -108.528 flat angles C4'-P-C4' energy: -109.086 flat angles P-C4'-P energy: -57.824 tors. eta vs tors. theta energy: -60.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -904.802916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.802916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.802916 (E_RNA) where: Base-Base interactions energy: -505.466 where: short stacking energy: -254.843 Base-Backbone interact. energy: -1.106 local terms energy: -398.231206 where: bonds (distance) C4'-P energy: -99.848 bonds (distance) P-C4' energy: -94.091 flat angles C4'-P-C4' energy: -104.730 flat angles P-C4'-P energy: -63.683 tors. eta vs tors. theta energy: -35.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -807.981590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.981590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.981590 (E_RNA) where: Base-Base interactions energy: -449.793 where: short stacking energy: -225.876 Base-Backbone interact. energy: 5.849 local terms energy: -364.038085 where: bonds (distance) C4'-P energy: -106.579 bonds (distance) P-C4' energy: -96.088 flat angles C4'-P-C4' energy: -98.468 flat angles P-C4'-P energy: -45.411 tors. eta vs tors. theta energy: -17.492 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: 4 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -564.764122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.764122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.764122 (E_RNA) where: Base-Base interactions energy: -228.118 where: short stacking energy: -169.083 Base-Backbone interact. energy: 5.257 local terms energy: -341.902309 where: bonds (distance) C4'-P energy: -104.023 bonds (distance) P-C4' energy: -115.304 flat angles C4'-P-C4' energy: -87.231 flat angles P-C4'-P energy: -32.295 tors. eta vs tors. theta energy: -3.050 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: 3 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2021.240431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.240431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.240431 (E_RNA) where: Base-Base interactions energy: -1388.938 where: short stacking energy: -588.315 Base-Backbone interact. energy: -1.701 local terms energy: -630.601345 where: bonds (distance) C4'-P energy: -111.760 bonds (distance) P-C4' energy: -125.039 flat angles C4'-P-C4' energy: -137.564 flat angles P-C4'-P energy: -90.649 tors. eta vs tors. theta energy: -165.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1940.433905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.433905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.433905 (E_RNA) where: Base-Base interactions energy: -1348.218 where: short stacking energy: -572.391 Base-Backbone interact. energy: -4.364 local terms energy: -587.851428 where: bonds (distance) C4'-P energy: -92.274 bonds (distance) P-C4' energy: -125.235 flat angles C4'-P-C4' energy: -134.006 flat angles P-C4'-P energy: -90.663 tors. eta vs tors. theta energy: -145.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1837.081399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.081399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.081399 (E_RNA) where: Base-Base interactions energy: -1280.735 where: short stacking energy: -511.699 Base-Backbone interact. energy: -4.256 local terms energy: -552.089610 where: bonds (distance) C4'-P energy: -110.211 bonds (distance) P-C4' energy: -115.272 flat angles C4'-P-C4' energy: -109.312 flat angles P-C4'-P energy: -79.025 tors. eta vs tors. theta energy: -138.269 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: 9 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1798.555418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.555418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.555418 (E_RNA) where: Base-Base interactions energy: -1194.019 where: short stacking energy: -552.123 Base-Backbone interact. energy: -2.033 local terms energy: -602.504007 where: bonds (distance) C4'-P energy: -113.152 bonds (distance) P-C4' energy: -119.741 flat angles C4'-P-C4' energy: -131.570 flat angles P-C4'-P energy: -85.199 tors. eta vs tors. theta energy: -152.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1551.795896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.795896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.795896 (E_RNA) where: Base-Base interactions energy: -1031.990 where: short stacking energy: -488.279 Base-Backbone interact. energy: 2.891 local terms energy: -522.696328 where: bonds (distance) C4'-P energy: -114.456 bonds (distance) P-C4' energy: -105.707 flat angles C4'-P-C4' energy: -123.919 flat angles P-C4'-P energy: -60.913 tors. eta vs tors. theta energy: -117.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1432.034699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.034699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.034699 (E_RNA) where: Base-Base interactions energy: -924.895 where: short stacking energy: -433.248 Base-Backbone interact. energy: -2.500 local terms energy: -504.639471 where: bonds (distance) C4'-P energy: -106.499 bonds (distance) P-C4' energy: -106.508 flat angles C4'-P-C4' energy: -121.976 flat angles P-C4'-P energy: -71.394 tors. eta vs tors. theta energy: -98.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -992.403623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.403623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.403623 (E_RNA) where: Base-Base interactions energy: -595.319 where: short stacking energy: -323.846 Base-Backbone interact. energy: -2.183 local terms energy: -394.901840 where: bonds (distance) C4'-P energy: -93.065 bonds (distance) P-C4' energy: -113.376 flat angles C4'-P-C4' energy: -103.108 flat angles P-C4'-P energy: -48.171 tors. eta vs tors. theta energy: -37.181 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: 10 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -954.080228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.080228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.080228 (E_RNA) where: Base-Base interactions energy: -563.501 where: short stacking energy: -291.240 Base-Backbone interact. energy: -2.458 local terms energy: -388.121476 where: bonds (distance) C4'-P energy: -102.191 bonds (distance) P-C4' energy: -102.105 flat angles C4'-P-C4' energy: -96.354 flat angles P-C4'-P energy: -44.245 tors. eta vs tors. theta energy: -43.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -755.939496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.939496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.939496 (E_RNA) where: Base-Base interactions energy: -390.860 where: short stacking energy: -225.731 Base-Backbone interact. energy: -1.072 local terms energy: -364.007989 where: bonds (distance) C4'-P energy: -98.223 bonds (distance) P-C4' energy: -93.234 flat angles C4'-P-C4' energy: -94.561 flat angles P-C4'-P energy: -56.062 tors. eta vs tors. theta energy: -21.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -531.322814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.322814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.322814 (E_RNA) where: Base-Base interactions energy: -245.267 where: short stacking energy: -138.086 Base-Backbone interact. energy: 3.915 local terms energy: -289.971083 where: bonds (distance) C4'-P energy: -103.832 bonds (distance) P-C4' energy: -90.697 flat angles C4'-P-C4' energy: -79.082 flat angles P-C4'-P energy: -47.342 tors. eta vs tors. theta energy: 30.982 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: 3 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2050.242257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.242257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.242257 (E_RNA) where: Base-Base interactions energy: -1411.611 where: short stacking energy: -621.826 Base-Backbone interact. energy: -2.616 local terms energy: -636.015148 where: bonds (distance) C4'-P energy: -105.626 bonds (distance) P-C4' energy: -132.791 flat angles C4'-P-C4' energy: -132.065 flat angles P-C4'-P energy: -93.671 tors. eta vs tors. theta energy: -171.862 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: 5 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1915.381158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.381158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.381158 (E_RNA) where: Base-Base interactions energy: -1308.956 where: short stacking energy: -547.355 Base-Backbone interact. energy: -0.018 local terms energy: -606.407217 where: bonds (distance) C4'-P energy: -129.337 bonds (distance) P-C4' energy: -116.674 flat angles C4'-P-C4' energy: -134.626 flat angles P-C4'-P energy: -89.773 tors. eta vs tors. theta energy: -135.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1911.273307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.273307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.273307 (E_RNA) where: Base-Base interactions energy: -1330.824 where: short stacking energy: -554.416 Base-Backbone interact. energy: -3.085 local terms energy: -577.363758 where: bonds (distance) C4'-P energy: -106.739 bonds (distance) P-C4' energy: -110.946 flat angles C4'-P-C4' energy: -131.847 flat angles P-C4'-P energy: -80.463 tors. eta vs tors. theta energy: -147.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1812.940146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.940146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.940146 (E_RNA) where: Base-Base interactions energy: -1213.012 where: short stacking energy: -554.701 Base-Backbone interact. energy: -1.868 local terms energy: -598.060187 where: bonds (distance) C4'-P energy: -109.218 bonds (distance) P-C4' energy: -108.315 flat angles C4'-P-C4' energy: -137.915 flat angles P-C4'-P energy: -88.520 tors. eta vs tors. theta energy: -154.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1569.327981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.327981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.327981 (E_RNA) where: Base-Base interactions energy: -1025.109 where: short stacking energy: -464.888 Base-Backbone interact. energy: -6.026 local terms energy: -538.193205 where: bonds (distance) C4'-P energy: -120.964 bonds (distance) P-C4' energy: -123.467 flat angles C4'-P-C4' energy: -124.386 flat angles P-C4'-P energy: -70.374 tors. eta vs tors. theta energy: -99.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1470.856997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.856997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.856997 (E_RNA) where: Base-Base interactions energy: -940.898 where: short stacking energy: -446.270 Base-Backbone interact. energy: 1.754 local terms energy: -531.713473 where: bonds (distance) C4'-P energy: -97.705 bonds (distance) P-C4' energy: -112.926 flat angles C4'-P-C4' energy: -128.247 flat angles P-C4'-P energy: -75.960 tors. eta vs tors. theta energy: -116.876 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: 7, replica: 2 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1019.557388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.557388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.557388 (E_RNA) where: Base-Base interactions energy: -582.305 where: short stacking energy: -338.378 Base-Backbone interact. energy: -2.729 local terms energy: -434.523470 where: bonds (distance) C4'-P energy: -110.101 bonds (distance) P-C4' energy: -101.171 flat angles C4'-P-C4' energy: -117.846 flat angles P-C4'-P energy: -55.742 tors. eta vs tors. theta energy: -49.662 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: 10 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -954.139674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.139674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.139674 (E_RNA) where: Base-Base interactions energy: -542.706 where: short stacking energy: -280.737 Base-Backbone interact. energy: -1.194 local terms energy: -410.239650 where: bonds (distance) C4'-P energy: -96.998 bonds (distance) P-C4' energy: -114.987 flat angles C4'-P-C4' energy: -84.010 flat angles P-C4'-P energy: -65.460 tors. eta vs tors. theta energy: -48.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -785.805657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.805657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.805657 (E_RNA) where: Base-Base interactions energy: -374.602 where: short stacking energy: -230.025 Base-Backbone interact. energy: 1.924 local terms energy: -413.126897 where: bonds (distance) C4'-P energy: -114.013 bonds (distance) P-C4' energy: -111.747 flat angles C4'-P-C4' energy: -92.963 flat angles P-C4'-P energy: -65.395 tors. eta vs tors. theta energy: -29.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -602.748446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.748446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.748446 (E_RNA) where: Base-Base interactions energy: -270.720 where: short stacking energy: -165.249 Base-Backbone interact. energy: 6.691 local terms energy: -338.719823 where: bonds (distance) C4'-P energy: -89.957 bonds (distance) P-C4' energy: -110.998 flat angles C4'-P-C4' energy: -85.900 flat angles P-C4'-P energy: -56.706 tors. eta vs tors. theta energy: 4.841 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: 3 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2023.870133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.870133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.870133 (E_RNA) where: Base-Base interactions energy: -1383.304 where: short stacking energy: -611.042 Base-Backbone interact. energy: -1.112 local terms energy: -639.453227 where: bonds (distance) C4'-P energy: -114.953 bonds (distance) P-C4' energy: -123.830 flat angles C4'-P-C4' energy: -140.107 flat angles P-C4'-P energy: -93.940 tors. eta vs tors. theta energy: -166.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1911.087395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.087395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.087395 (E_RNA) where: Base-Base interactions energy: -1310.947 where: short stacking energy: -574.327 Base-Backbone interact. energy: -1.397 local terms energy: -598.743201 where: bonds (distance) C4'-P energy: -117.424 bonds (distance) P-C4' energy: -119.692 flat angles C4'-P-C4' energy: -132.548 flat angles P-C4'-P energy: -83.188 tors. eta vs tors. theta energy: -145.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1912.269707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.269707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.269707 (E_RNA) where: Base-Base interactions energy: -1297.386 where: short stacking energy: -539.137 Base-Backbone interact. energy: -1.258 local terms energy: -613.626001 where: bonds (distance) C4'-P energy: -122.240 bonds (distance) P-C4' energy: -121.435 flat angles C4'-P-C4' energy: -135.566 flat angles P-C4'-P energy: -89.091 tors. eta vs tors. theta energy: -145.294 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: 4, replica: 9 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1812.401960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.401960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.401960 (E_RNA) where: Base-Base interactions energy: -1230.729 where: short stacking energy: -555.872 Base-Backbone interact. energy: -4.186 local terms energy: -577.487344 where: bonds (distance) C4'-P energy: -104.675 bonds (distance) P-C4' energy: -108.371 flat angles C4'-P-C4' energy: -132.507 flat angles P-C4'-P energy: -76.636 tors. eta vs tors. theta energy: -155.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1595.090951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.090951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.090951 (E_RNA) where: Base-Base interactions energy: -1055.207 where: short stacking energy: -473.569 Base-Backbone interact. energy: -3.536 local terms energy: -536.348434 where: bonds (distance) C4'-P energy: -110.420 bonds (distance) P-C4' energy: -114.925 flat angles C4'-P-C4' energy: -119.272 flat angles P-C4'-P energy: -83.168 tors. eta vs tors. theta energy: -108.564 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: 1 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1466.963280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.963280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.963280 (E_RNA) where: Base-Base interactions energy: -952.336 where: short stacking energy: -436.254 Base-Backbone interact. energy: -0.269 local terms energy: -514.358219 where: bonds (distance) C4'-P energy: -99.356 bonds (distance) P-C4' energy: -120.946 flat angles C4'-P-C4' energy: -127.499 flat angles P-C4'-P energy: -64.262 tors. eta vs tors. theta energy: -102.295 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: 50 Temperature: 1.200000 Total energy: -1027.859669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.859669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.859669 (E_RNA) where: Base-Base interactions energy: -562.247 where: short stacking energy: -308.432 Base-Backbone interact. energy: -3.234 local terms energy: -462.378518 where: bonds (distance) C4'-P energy: -104.194 bonds (distance) P-C4' energy: -112.869 flat angles C4'-P-C4' energy: -112.901 flat angles P-C4'-P energy: -73.902 tors. eta vs tors. theta energy: -58.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -861.858426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.858426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.858426 (E_RNA) where: Base-Base interactions energy: -497.753 where: short stacking energy: -303.907 Base-Backbone interact. energy: -2.371 local terms energy: -361.734328 where: bonds (distance) C4'-P energy: -97.487 bonds (distance) P-C4' energy: -87.776 flat angles C4'-P-C4' energy: -86.273 flat angles P-C4'-P energy: -52.974 tors. eta vs tors. theta energy: -37.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -745.074131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.074131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.074131 (E_RNA) where: Base-Base interactions energy: -404.170 where: short stacking energy: -203.506 Base-Backbone interact. energy: -0.756 local terms energy: -340.148681 where: bonds (distance) C4'-P energy: -85.472 bonds (distance) P-C4' energy: -94.651 flat angles C4'-P-C4' energy: -87.312 flat angles P-C4'-P energy: -62.884 tors. eta vs tors. theta energy: -9.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -557.463862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.463862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.463862 (E_RNA) where: Base-Base interactions energy: -234.732 where: short stacking energy: -187.821 Base-Backbone interact. energy: 4.359 local terms energy: -327.090533 where: bonds (distance) C4'-P energy: -84.652 bonds (distance) P-C4' energy: -113.168 flat angles C4'-P-C4' energy: -84.696 flat angles P-C4'-P energy: -49.178 tors. eta vs tors. theta energy: 4.603 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: 1, replica: 3 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2029.121674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.121674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.121674 (E_RNA) where: Base-Base interactions energy: -1379.850 where: short stacking energy: -601.030 Base-Backbone interact. energy: -1.262 local terms energy: -648.009575 where: bonds (distance) C4'-P energy: -111.957 bonds (distance) P-C4' energy: -119.688 flat angles C4'-P-C4' energy: -139.089 flat angles P-C4'-P energy: -102.773 tors. eta vs tors. theta energy: -174.503 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: 5 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1926.506131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.506131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.506131 (E_RNA) where: Base-Base interactions energy: -1314.501 where: short stacking energy: -590.880 Base-Backbone interact. energy: -3.392 local terms energy: -608.613938 where: bonds (distance) C4'-P energy: -111.309 bonds (distance) P-C4' energy: -122.894 flat angles C4'-P-C4' energy: -130.600 flat angles P-C4'-P energy: -81.767 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: 3, replica: 7 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1907.984871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.984871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.984871 (E_RNA) where: Base-Base interactions energy: -1291.192 where: short stacking energy: -559.038 Base-Backbone interact. energy: 1.389 local terms energy: -618.181843 where: bonds (distance) C4'-P energy: -125.823 bonds (distance) P-C4' energy: -124.386 flat angles C4'-P-C4' energy: -133.442 flat angles P-C4'-P energy: -93.380 tors. eta vs tors. theta energy: -141.150 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: 4, replica: 9 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1799.195419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.195419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.195419 (E_RNA) where: Base-Base interactions energy: -1220.928 where: short stacking energy: -555.638 Base-Backbone interact. energy: 1.379 local terms energy: -579.646931 where: bonds (distance) C4'-P energy: -111.671 bonds (distance) P-C4' energy: -108.337 flat angles C4'-P-C4' energy: -121.104 flat angles P-C4'-P energy: -83.714 tors. eta vs tors. theta energy: -154.821 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: 8 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1678.491390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.491390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.491390 (E_RNA) where: Base-Base interactions energy: -1129.068 where: short stacking energy: -482.022 Base-Backbone interact. energy: -2.620 local terms energy: -546.804003 where: bonds (distance) C4'-P energy: -113.583 bonds (distance) P-C4' energy: -112.955 flat angles C4'-P-C4' energy: -128.856 flat angles P-C4'-P energy: -78.224 tors. eta vs tors. theta energy: -113.186 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: 1 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1515.598785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.598785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.598785 (E_RNA) where: Base-Base interactions energy: -962.718 where: short stacking energy: -446.154 Base-Backbone interact. energy: -0.659 local terms energy: -552.222204 where: bonds (distance) C4'-P energy: -110.366 bonds (distance) P-C4' energy: -120.038 flat angles C4'-P-C4' energy: -130.288 flat angles P-C4'-P energy: -74.088 tors. eta vs tors. theta energy: -117.443 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: 10 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -985.380258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.380258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.380258 (E_RNA) where: Base-Base interactions energy: -554.139 where: short stacking energy: -292.916 Base-Backbone interact. energy: -0.128 local terms energy: -431.113988 where: bonds (distance) C4'-P energy: -114.594 bonds (distance) P-C4' energy: -103.206 flat angles C4'-P-C4' energy: -99.250 flat angles P-C4'-P energy: -74.821 tors. eta vs tors. theta energy: -39.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -956.465589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.465589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.465589 (E_RNA) where: Base-Base interactions energy: -571.792 where: short stacking energy: -296.455 Base-Backbone interact. energy: 2.910 local terms energy: -387.583853 where: bonds (distance) C4'-P energy: -66.479 bonds (distance) P-C4' energy: -101.222 flat angles C4'-P-C4' energy: -113.526 flat angles P-C4'-P energy: -65.437 tors. eta vs tors. theta energy: -40.919 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: 9, replica: 6 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -717.716796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.716796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.716796 (E_RNA) where: Base-Base interactions energy: -407.193 where: short stacking energy: -230.730 Base-Backbone interact. energy: 0.094 local terms energy: -310.617780 where: bonds (distance) C4'-P energy: -91.166 bonds (distance) P-C4' energy: -101.250 flat angles C4'-P-C4' energy: -62.360 flat angles P-C4'-P energy: -51.997 tors. eta vs tors. theta energy: -3.845 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: 4 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -536.215653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.215653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.215653 (E_RNA) where: Base-Base interactions energy: -232.041 where: short stacking energy: -166.445 Base-Backbone interact. energy: -2.471 local terms energy: -301.703383 where: bonds (distance) C4'-P energy: -91.242 bonds (distance) P-C4' energy: -89.902 flat angles C4'-P-C4' energy: -70.109 flat angles P-C4'-P energy: -54.699 tors. eta vs tors. theta energy: 4.249 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: 3 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2036.137117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.137117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.137117 (E_RNA) where: Base-Base interactions energy: -1389.607 where: short stacking energy: -618.867 Base-Backbone interact. energy: -2.121 local terms energy: -644.408647 where: bonds (distance) C4'-P energy: -122.235 bonds (distance) P-C4' energy: -121.241 flat angles C4'-P-C4' energy: -139.394 flat angles P-C4'-P energy: -82.623 tors. eta vs tors. theta energy: -178.916 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: 2, replica: 5 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1964.004333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.004333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.004333 (E_RNA) where: Base-Base interactions energy: -1352.580 where: short stacking energy: -584.673 Base-Backbone interact. energy: -3.273 local terms energy: -608.151256 where: bonds (distance) C4'-P energy: -130.261 bonds (distance) P-C4' energy: -116.208 flat angles C4'-P-C4' energy: -136.807 flat angles P-C4'-P energy: -77.655 tors. eta vs tors. theta energy: -147.220 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: 7 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1901.602509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.602509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.602509 (E_RNA) where: Base-Base interactions energy: -1299.350 where: short stacking energy: -535.320 Base-Backbone interact. energy: -3.497 local terms energy: -598.755413 where: bonds (distance) C4'-P energy: -113.429 bonds (distance) P-C4' energy: -120.027 flat angles C4'-P-C4' energy: -131.997 flat angles P-C4'-P energy: -85.820 tors. eta vs tors. theta energy: -147.482 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: 9 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1767.213132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.213132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.213132 (E_RNA) where: Base-Base interactions energy: -1157.130 where: short stacking energy: -540.754 Base-Backbone interact. energy: -2.804 local terms energy: -607.278816 where: bonds (distance) C4'-P energy: -108.153 bonds (distance) P-C4' energy: -123.516 flat angles C4'-P-C4' energy: -132.781 flat angles P-C4'-P energy: -81.563 tors. eta vs tors. theta energy: -161.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1605.008214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.008214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.008214 (E_RNA) where: Base-Base interactions energy: -1114.053 where: short stacking energy: -504.063 Base-Backbone interact. energy: -1.244 local terms energy: -489.711184 where: bonds (distance) C4'-P energy: -108.816 bonds (distance) P-C4' energy: -96.410 flat angles C4'-P-C4' energy: -105.703 flat angles P-C4'-P energy: -69.039 tors. eta vs tors. theta energy: -109.743 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: 1 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1554.643325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.643325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.643325 (E_RNA) where: Base-Base interactions energy: -1058.687 where: short stacking energy: -464.397 Base-Backbone interact. energy: 5.337 local terms energy: -501.294135 where: bonds (distance) C4'-P energy: -93.304 bonds (distance) P-C4' energy: -114.133 flat angles C4'-P-C4' energy: -128.475 flat angles P-C4'-P energy: -57.048 tors. eta vs tors. theta energy: -108.335 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: 52 Temperature: 1.200000 Total energy: -1037.407832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.407832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.407832 (E_RNA) where: Base-Base interactions energy: -588.314 where: short stacking energy: -323.704 Base-Backbone interact. energy: -1.490 local terms energy: -447.603583 where: bonds (distance) C4'-P energy: -110.423 bonds (distance) P-C4' energy: -119.271 flat angles C4'-P-C4' energy: -102.649 flat angles P-C4'-P energy: -57.124 tors. eta vs tors. theta energy: -58.137 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: 2 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -974.987067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.987067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.987067 (E_RNA) where: Base-Base interactions energy: -563.528 where: short stacking energy: -301.868 Base-Backbone interact. energy: 2.088 local terms energy: -413.546342 where: bonds (distance) C4'-P energy: -85.345 bonds (distance) P-C4' energy: -114.760 flat angles C4'-P-C4' energy: -103.981 flat angles P-C4'-P energy: -60.518 tors. eta vs tors. theta energy: -48.943 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: 6 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -760.919897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.919897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.919897 (E_RNA) where: Base-Base interactions energy: -428.863 where: short stacking energy: -238.714 Base-Backbone interact. energy: 0.250 local terms energy: -332.307510 where: bonds (distance) C4'-P energy: -100.452 bonds (distance) P-C4' energy: -96.947 flat angles C4'-P-C4' energy: -78.634 flat angles P-C4'-P energy: -43.126 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: 4 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -564.659410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.659410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.659410 (E_RNA) where: Base-Base interactions energy: -238.247 where: short stacking energy: -161.372 Base-Backbone interact. energy: -0.778 local terms energy: -325.634280 where: bonds (distance) C4'-P energy: -104.862 bonds (distance) P-C4' energy: -102.465 flat angles C4'-P-C4' energy: -82.023 flat angles P-C4'-P energy: -54.393 tors. eta vs tors. theta energy: 18.109 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: 1, replica: 3 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2043.592756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.592756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.592756 (E_RNA) where: Base-Base interactions energy: -1386.342 where: short stacking energy: -626.169 Base-Backbone interact. energy: -1.532 local terms energy: -655.718584 where: bonds (distance) C4'-P energy: -113.936 bonds (distance) P-C4' energy: -134.725 flat angles C4'-P-C4' energy: -141.517 flat angles P-C4'-P energy: -83.253 tors. eta vs tors. theta energy: -182.287 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: 5 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1922.380182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.380182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.380182 (E_RNA) where: Base-Base interactions energy: -1321.401 where: short stacking energy: -570.391 Base-Backbone interact. energy: -0.375 local terms energy: -600.603930 where: bonds (distance) C4'-P energy: -118.121 bonds (distance) P-C4' energy: -116.515 flat angles C4'-P-C4' energy: -144.350 flat angles P-C4'-P energy: -83.015 tors. eta vs tors. theta energy: -138.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1863.999157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.999157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.999157 (E_RNA) where: Base-Base interactions energy: -1278.374 where: short stacking energy: -569.876 Base-Backbone interact. energy: -2.070 local terms energy: -583.554903 where: bonds (distance) C4'-P energy: -114.989 bonds (distance) P-C4' energy: -111.754 flat angles C4'-P-C4' energy: -134.928 flat angles P-C4'-P energy: -89.521 tors. eta vs tors. theta energy: -132.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1783.794102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.794102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.794102 (E_RNA) where: Base-Base interactions energy: -1227.573 where: short stacking energy: -541.661 Base-Backbone interact. energy: -4.260 local terms energy: -551.961399 where: bonds (distance) C4'-P energy: -118.767 bonds (distance) P-C4' energy: -104.130 flat angles C4'-P-C4' energy: -111.000 flat angles P-C4'-P energy: -60.684 tors. eta vs tors. theta energy: -157.380 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: 53 Temperature: 1.100000 Total energy: -1620.167357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.167357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.167357 (E_RNA) where: Base-Base interactions energy: -1083.719 where: short stacking energy: -472.391 Base-Backbone interact. energy: -5.161 local terms energy: -531.287308 where: bonds (distance) C4'-P energy: -109.475 bonds (distance) P-C4' energy: -99.831 flat angles C4'-P-C4' energy: -119.245 flat angles P-C4'-P energy: -86.728 tors. eta vs tors. theta energy: -116.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1612.917816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.917816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.917816 (E_RNA) where: Base-Base interactions energy: -1041.770 where: short stacking energy: -470.299 Base-Backbone interact. energy: 0.824 local terms energy: -571.971710 where: bonds (distance) C4'-P energy: -124.882 bonds (distance) P-C4' energy: -112.870 flat angles C4'-P-C4' energy: -127.055 flat angles P-C4'-P energy: -74.647 tors. eta vs tors. theta energy: -132.518 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: 10 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1020.952890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.952890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.952890 (E_RNA) where: Base-Base interactions energy: -625.531 where: short stacking energy: -314.680 Base-Backbone interact. energy: 0.087 local terms energy: -395.508379 where: bonds (distance) C4'-P energy: -90.017 bonds (distance) P-C4' energy: -98.482 flat angles C4'-P-C4' energy: -110.614 flat angles P-C4'-P energy: -57.638 tors. eta vs tors. theta energy: -38.757 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: 2 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -958.962822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.962822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.962822 (E_RNA) where: Base-Base interactions energy: -541.992 where: short stacking energy: -294.833 Base-Backbone interact. energy: 0.333 local terms energy: -417.303873 where: bonds (distance) C4'-P energy: -99.775 bonds (distance) P-C4' energy: -115.988 flat angles C4'-P-C4' energy: -105.720 flat angles P-C4'-P energy: -51.857 tors. eta vs tors. theta energy: -43.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -707.015386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.015386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.015386 (E_RNA) where: Base-Base interactions energy: -365.060 where: short stacking energy: -221.295 Base-Backbone interact. energy: 5.209 local terms energy: -347.164396 where: bonds (distance) C4'-P energy: -99.801 bonds (distance) P-C4' energy: -89.331 flat angles C4'-P-C4' energy: -75.604 flat angles P-C4'-P energy: -66.886 tors. eta vs tors. theta energy: -15.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -632.239387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.239387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.239387 (E_RNA) where: Base-Base interactions energy: -280.486 where: short stacking energy: -151.293 Base-Backbone interact. energy: 0.064 local terms energy: -351.818154 where: bonds (distance) C4'-P energy: -106.571 bonds (distance) P-C4' energy: -98.973 flat angles C4'-P-C4' energy: -107.187 flat angles P-C4'-P energy: -49.354 tors. eta vs tors. theta energy: 10.267 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: 3 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2054.338437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.338437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.338437 (E_RNA) where: Base-Base interactions energy: -1398.559 where: short stacking energy: -617.106 Base-Backbone interact. energy: -2.549 local terms energy: -653.231004 where: bonds (distance) C4'-P energy: -127.733 bonds (distance) P-C4' energy: -121.892 flat angles C4'-P-C4' energy: -143.929 flat angles P-C4'-P energy: -82.080 tors. eta vs tors. theta energy: -177.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1939.395372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.395372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.395372 (E_RNA) where: Base-Base interactions energy: -1338.561 where: short stacking energy: -568.728 Base-Backbone interact. energy: 11.107 local terms energy: -611.941474 where: bonds (distance) C4'-P energy: -128.108 bonds (distance) P-C4' energy: -122.115 flat angles C4'-P-C4' energy: -123.168 flat angles P-C4'-P energy: -89.592 tors. eta vs tors. theta energy: -148.958 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: 3, replica: 7 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1899.764213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.764213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.764213 (E_RNA) where: Base-Base interactions energy: -1298.349 where: short stacking energy: -566.190 Base-Backbone interact. energy: -0.859 local terms energy: -600.556400 where: bonds (distance) C4'-P energy: -114.873 bonds (distance) P-C4' energy: -130.979 flat angles C4'-P-C4' energy: -128.541 flat angles P-C4'-P energy: -82.118 tors. eta vs tors. theta energy: -144.046 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: 9 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1805.757177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.757177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.757177 (E_RNA) where: Base-Base interactions energy: -1198.293 where: short stacking energy: -540.724 Base-Backbone interact. energy: -2.571 local terms energy: -604.893954 where: bonds (distance) C4'-P energy: -115.017 bonds (distance) P-C4' energy: -125.375 flat angles C4'-P-C4' energy: -137.919 flat angles P-C4'-P energy: -67.968 tors. eta vs tors. theta energy: -158.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1678.423444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.423444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.423444 (E_RNA) where: Base-Base interactions energy: -1137.708 where: short stacking energy: -510.101 Base-Backbone interact. energy: -2.866 local terms energy: -537.849888 where: bonds (distance) C4'-P energy: -115.609 bonds (distance) P-C4' energy: -113.591 flat angles C4'-P-C4' energy: -119.765 flat angles P-C4'-P energy: -68.858 tors. eta vs tors. theta energy: -120.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1583.426779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.426779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.426779 (E_RNA) where: Base-Base interactions energy: -1060.868 where: short stacking energy: -459.899 Base-Backbone interact. energy: -3.496 local terms energy: -519.062769 where: bonds (distance) C4'-P energy: -114.779 bonds (distance) P-C4' energy: -96.474 flat angles C4'-P-C4' energy: -110.581 flat angles P-C4'-P energy: -67.690 tors. eta vs tors. theta energy: -129.539 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: 7, replica: 10 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1035.063466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.063466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.063466 (E_RNA) where: Base-Base interactions energy: -616.019 where: short stacking energy: -339.780 Base-Backbone interact. energy: 1.598 local terms energy: -420.641977 where: bonds (distance) C4'-P energy: -105.347 bonds (distance) P-C4' energy: -92.790 flat angles C4'-P-C4' energy: -95.591 flat angles P-C4'-P energy: -76.389 tors. eta vs tors. theta energy: -50.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -998.242594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.242594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.242594 (E_RNA) where: Base-Base interactions energy: -574.263 where: short stacking energy: -322.860 Base-Backbone interact. energy: 2.030 local terms energy: -426.010428 where: bonds (distance) C4'-P energy: -103.079 bonds (distance) P-C4' energy: -97.351 flat angles C4'-P-C4' energy: -114.560 flat angles P-C4'-P energy: -57.261 tors. eta vs tors. theta energy: -53.760 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: 9, replica: 6 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -703.912807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.912807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.912807 (E_RNA) where: Base-Base interactions energy: -355.925 where: short stacking energy: -208.835 Base-Backbone interact. energy: -1.724 local terms energy: -346.263671 where: bonds (distance) C4'-P energy: -97.576 bonds (distance) P-C4' energy: -106.227 flat angles C4'-P-C4' energy: -94.755 flat angles P-C4'-P energy: -39.628 tors. eta vs tors. theta energy: -8.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -587.150037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.150037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.150037 (E_RNA) where: Base-Base interactions energy: -251.675 where: short stacking energy: -181.760 Base-Backbone interact. energy: -2.794 local terms energy: -332.680372 where: bonds (distance) C4'-P energy: -89.950 bonds (distance) P-C4' energy: -108.938 flat angles C4'-P-C4' energy: -88.441 flat angles P-C4'-P energy: -39.020 tors. eta vs tors. theta energy: -6.331 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: 3 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2060.919246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.919246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.919246 (E_RNA) where: Base-Base interactions energy: -1394.580 where: short stacking energy: -616.708 Base-Backbone interact. energy: -1.463 local terms energy: -664.876295 where: bonds (distance) C4'-P energy: -127.317 bonds (distance) P-C4' energy: -128.010 flat angles C4'-P-C4' energy: -146.988 flat angles P-C4'-P energy: -85.358 tors. eta vs tors. theta energy: -177.203 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: 2, replica: 5 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1905.950485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.950485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.950485 (E_RNA) where: Base-Base interactions energy: -1325.505 where: short stacking energy: -563.671 Base-Backbone interact. energy: -3.373 local terms energy: -577.072735 where: bonds (distance) C4'-P energy: -116.809 bonds (distance) P-C4' energy: -103.121 flat angles C4'-P-C4' energy: -128.386 flat angles P-C4'-P energy: -84.149 tors. eta vs tors. theta energy: -144.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1873.730815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.730815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.730815 (E_RNA) where: Base-Base interactions energy: -1283.117 where: short stacking energy: -561.023 Base-Backbone interact. energy: -3.933 local terms energy: -586.681666 where: bonds (distance) C4'-P energy: -120.772 bonds (distance) P-C4' energy: -120.237 flat angles C4'-P-C4' energy: -121.047 flat angles P-C4'-P energy: -89.035 tors. eta vs tors. theta energy: -135.591 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: 9 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1804.570519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.570519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.570519 (E_RNA) where: Base-Base interactions energy: -1201.087 where: short stacking energy: -530.630 Base-Backbone interact. energy: -0.680 local terms energy: -602.803295 where: bonds (distance) C4'-P energy: -117.384 bonds (distance) P-C4' energy: -106.992 flat angles C4'-P-C4' energy: -138.892 flat angles P-C4'-P energy: -83.882 tors. eta vs tors. theta energy: -155.654 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: 5, replica: 8 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1646.794271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.794271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.794271 (E_RNA) where: Base-Base interactions energy: -1117.287 where: short stacking energy: -498.752 Base-Backbone interact. energy: -2.001 local terms energy: -527.505684 where: bonds (distance) C4'-P energy: -94.625 bonds (distance) P-C4' energy: -98.775 flat angles C4'-P-C4' energy: -122.203 flat angles P-C4'-P energy: -87.877 tors. eta vs tors. theta energy: -124.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1516.927750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.927750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.927750 (E_RNA) where: Base-Base interactions energy: -1008.739 where: short stacking energy: -446.437 Base-Backbone interact. energy: -0.238 local terms energy: -507.950806 where: bonds (distance) C4'-P energy: -102.680 bonds (distance) P-C4' energy: -100.622 flat angles C4'-P-C4' energy: -108.924 flat angles P-C4'-P energy: -73.958 tors. eta vs tors. theta energy: -121.767 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: 7, replica: 10 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1050.065893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.065893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.065893 (E_RNA) where: Base-Base interactions energy: -635.711 where: short stacking energy: -312.969 Base-Backbone interact. energy: -0.343 local terms energy: -414.012200 where: bonds (distance) C4'-P energy: -87.091 bonds (distance) P-C4' energy: -122.538 flat angles C4'-P-C4' energy: -89.995 flat angles P-C4'-P energy: -70.597 tors. eta vs tors. theta energy: -43.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1002.750144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.750144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.750144 (E_RNA) where: Base-Base interactions energy: -589.466 where: short stacking energy: -302.264 Base-Backbone interact. energy: -3.240 local terms energy: -410.043447 where: bonds (distance) C4'-P energy: -101.732 bonds (distance) P-C4' energy: -84.668 flat angles C4'-P-C4' energy: -114.518 flat angles P-C4'-P energy: -59.518 tors. eta vs tors. theta energy: -49.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -677.500702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.500702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.500702 (E_RNA) where: Base-Base interactions energy: -320.381 where: short stacking energy: -200.802 Base-Backbone interact. energy: 2.144 local terms energy: -359.264322 where: bonds (distance) C4'-P energy: -96.196 bonds (distance) P-C4' energy: -96.375 flat angles C4'-P-C4' energy: -96.937 flat angles P-C4'-P energy: -54.288 tors. eta vs tors. theta energy: -15.468 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: 4 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -596.659311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.659311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.659311 (E_RNA) where: Base-Base interactions energy: -271.325 where: short stacking energy: -161.742 Base-Backbone interact. energy: 4.588 local terms energy: -329.923130 where: bonds (distance) C4'-P energy: -99.876 bonds (distance) P-C4' energy: -95.660 flat angles C4'-P-C4' energy: -92.225 flat angles P-C4'-P energy: -58.937 tors. eta vs tors. theta energy: 16.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2026.218274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.218274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.218274 (E_RNA) where: Base-Base interactions energy: -1376.001 where: short stacking energy: -626.255 Base-Backbone interact. energy: -3.550 local terms energy: -646.666924 where: bonds (distance) C4'-P energy: -124.531 bonds (distance) P-C4' energy: -125.564 flat angles C4'-P-C4' energy: -141.842 flat angles P-C4'-P energy: -83.098 tors. eta vs tors. theta energy: -171.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1966.819035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.819035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.819035 (E_RNA) where: Base-Base interactions energy: -1364.356 where: short stacking energy: -593.815 Base-Backbone interact. energy: -3.928 local terms energy: -598.535615 where: bonds (distance) C4'-P energy: -108.171 bonds (distance) P-C4' energy: -118.125 flat angles C4'-P-C4' energy: -140.149 flat angles P-C4'-P energy: -84.760 tors. eta vs tors. theta energy: -147.331 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: 7 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1906.271782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.271782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.271782 (E_RNA) where: Base-Base interactions energy: -1320.278 where: short stacking energy: -557.185 Base-Backbone interact. energy: -3.294 local terms energy: -582.699757 where: bonds (distance) C4'-P energy: -122.649 bonds (distance) P-C4' energy: -113.178 flat angles C4'-P-C4' energy: -133.532 flat angles P-C4'-P energy: -81.752 tors. eta vs tors. theta energy: -131.590 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: 9 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1779.549510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.549510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.549510 (E_RNA) where: Base-Base interactions energy: -1206.893 where: short stacking energy: -557.396 Base-Backbone interact. energy: 1.303 local terms energy: -573.960003 where: bonds (distance) C4'-P energy: -107.566 bonds (distance) P-C4' energy: -113.979 flat angles C4'-P-C4' energy: -113.709 flat angles P-C4'-P energy: -87.386 tors. eta vs tors. theta energy: -151.320 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: 8 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1615.145410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.145410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.145410 (E_RNA) where: Base-Base interactions energy: -1062.967 where: short stacking energy: -455.702 Base-Backbone interact. energy: -0.816 local terms energy: -551.362600 where: bonds (distance) C4'-P energy: -117.051 bonds (distance) P-C4' energy: -122.083 flat angles C4'-P-C4' energy: -116.255 flat angles P-C4'-P energy: -83.125 tors. eta vs tors. theta energy: -112.850 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: 1 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1512.325822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.325822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.325822 (E_RNA) where: Base-Base interactions energy: -1011.196 where: short stacking energy: -446.420 Base-Backbone interact. energy: 2.730 local terms energy: -503.859950 where: bonds (distance) C4'-P energy: -88.743 bonds (distance) P-C4' energy: -108.729 flat angles C4'-P-C4' energy: -130.239 flat angles P-C4'-P energy: -72.389 tors. eta vs tors. theta energy: -103.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1127.590190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.590190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.590190 (E_RNA) where: Base-Base interactions energy: -678.132 where: short stacking energy: -357.751 Base-Backbone interact. energy: 0.539 local terms energy: -449.996979 where: bonds (distance) C4'-P energy: -88.438 bonds (distance) P-C4' energy: -108.576 flat angles C4'-P-C4' energy: -104.167 flat angles P-C4'-P energy: -61.001 tors. eta vs tors. theta energy: -87.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -974.927025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.927025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.927025 (E_RNA) where: Base-Base interactions energy: -556.465 where: short stacking energy: -300.438 Base-Backbone interact. energy: -1.649 local terms energy: -416.813140 where: bonds (distance) C4'-P energy: -99.298 bonds (distance) P-C4' energy: -103.101 flat angles C4'-P-C4' energy: -120.038 flat angles P-C4'-P energy: -48.944 tors. eta vs tors. theta energy: -45.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -734.136746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.136746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.136746 (E_RNA) where: Base-Base interactions energy: -408.611 where: short stacking energy: -214.455 Base-Backbone interact. energy: 0.995 local terms energy: -326.521348 where: bonds (distance) C4'-P energy: -99.456 bonds (distance) P-C4' energy: -86.228 flat angles C4'-P-C4' energy: -79.141 flat angles P-C4'-P energy: -57.647 tors. eta vs tors. theta energy: -4.049 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: 10, replica: 4 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -671.423804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.423804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.423804 (E_RNA) where: Base-Base interactions energy: -337.796 where: short stacking energy: -199.869 Base-Backbone interact. energy: 5.633 local terms energy: -339.260820 where: bonds (distance) C4'-P energy: -110.200 bonds (distance) P-C4' energy: -95.589 flat angles C4'-P-C4' energy: -78.272 flat angles P-C4'-P energy: -46.994 tors. eta vs tors. theta energy: -8.206 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: 3 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2043.808468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.808468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.808468 (E_RNA) where: Base-Base interactions energy: -1399.364 where: short stacking energy: -615.130 Base-Backbone interact. energy: -3.484 local terms energy: -640.961303 where: bonds (distance) C4'-P energy: -121.848 bonds (distance) P-C4' energy: -116.811 flat angles C4'-P-C4' energy: -143.832 flat angles P-C4'-P energy: -79.136 tors. eta vs tors. theta energy: -179.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1903.380316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.380316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.380316 (E_RNA) where: Base-Base interactions energy: -1326.356 where: short stacking energy: -575.527 Base-Backbone interact. energy: -0.056 local terms energy: -576.968421 where: bonds (distance) C4'-P energy: -116.577 bonds (distance) P-C4' energy: -113.518 flat angles C4'-P-C4' energy: -122.020 flat angles P-C4'-P energy: -88.045 tors. eta vs tors. theta energy: -136.809 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: 5 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1880.780405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.780405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.780405 (E_RNA) where: Base-Base interactions energy: -1303.653 where: short stacking energy: -550.619 Base-Backbone interact. energy: -4.210 local terms energy: -572.917792 where: bonds (distance) C4'-P energy: -118.438 bonds (distance) P-C4' energy: -113.463 flat angles C4'-P-C4' energy: -124.915 flat angles P-C4'-P energy: -80.901 tors. eta vs tors. theta energy: -135.201 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: 9 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1764.940391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.940391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.940391 (E_RNA) where: Base-Base interactions energy: -1181.697 where: short stacking energy: -526.667 Base-Backbone interact. energy: 4.446 local terms energy: -587.689966 where: bonds (distance) C4'-P energy: -109.486 bonds (distance) P-C4' energy: -120.734 flat angles C4'-P-C4' energy: -132.760 flat angles P-C4'-P energy: -73.731 tors. eta vs tors. theta energy: -150.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1620.880115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.880115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.880115 (E_RNA) where: Base-Base interactions energy: -1074.297 where: short stacking energy: -495.041 Base-Backbone interact. energy: -0.867 local terms energy: -545.715999 where: bonds (distance) C4'-P energy: -97.246 bonds (distance) P-C4' energy: -125.997 flat angles C4'-P-C4' energy: -120.965 flat angles P-C4'-P energy: -86.399 tors. eta vs tors. theta energy: -115.109 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: 1 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1539.835973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.835973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.835973 (E_RNA) where: Base-Base interactions energy: -1005.855 where: short stacking energy: -469.190 Base-Backbone interact. energy: 1.579 local terms energy: -535.560676 where: bonds (distance) C4'-P energy: -107.961 bonds (distance) P-C4' energy: -98.679 flat angles C4'-P-C4' energy: -133.959 flat angles P-C4'-P energy: -87.756 tors. eta vs tors. theta energy: -107.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1119.962481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.962481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.962481 (E_RNA) where: Base-Base interactions energy: -652.844 where: short stacking energy: -328.967 Base-Backbone interact. energy: -0.822 local terms energy: -466.296485 where: bonds (distance) C4'-P energy: -104.748 bonds (distance) P-C4' energy: -116.515 flat angles C4'-P-C4' energy: -106.316 flat angles P-C4'-P energy: -76.796 tors. eta vs tors. theta energy: -61.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -947.009344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.009344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.009344 (E_RNA) where: Base-Base interactions energy: -544.545 where: short stacking energy: -284.534 Base-Backbone interact. energy: 0.731 local terms energy: -403.195026 where: bonds (distance) C4'-P energy: -96.975 bonds (distance) P-C4' energy: -113.846 flat angles C4'-P-C4' energy: -102.495 flat angles P-C4'-P energy: -61.305 tors. eta vs tors. theta energy: -28.574 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: 6 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -709.306760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.306760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.306760 (E_RNA) where: Base-Base interactions energy: -405.062 where: short stacking energy: -211.868 Base-Backbone interact. energy: 2.259 local terms energy: -306.503192 where: bonds (distance) C4'-P energy: -86.559 bonds (distance) P-C4' energy: -101.951 flat angles C4'-P-C4' energy: -83.134 flat angles P-C4'-P energy: -39.370 tors. eta vs tors. theta energy: 4.511 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: 10, replica: 4 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -667.820773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.820773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.820773 (E_RNA) where: Base-Base interactions energy: -318.920 where: short stacking energy: -179.200 Base-Backbone interact. energy: -1.605 local terms energy: -347.295474 where: bonds (distance) C4'-P energy: -71.686 bonds (distance) P-C4' energy: -122.643 flat angles C4'-P-C4' energy: -106.001 flat angles P-C4'-P energy: -47.015 tors. eta vs tors. theta energy: 0.050 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: 3 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2053.504442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.504442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.504442 (E_RNA) where: Base-Base interactions energy: -1384.857 where: short stacking energy: -616.853 Base-Backbone interact. energy: 1.966 local terms energy: -670.614279 where: bonds (distance) C4'-P energy: -131.799 bonds (distance) P-C4' energy: -125.778 flat angles C4'-P-C4' energy: -142.011 flat angles P-C4'-P energy: -90.293 tors. eta vs tors. theta energy: -180.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1939.524830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.524830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.524830 (E_RNA) where: Base-Base interactions energy: -1312.111 where: short stacking energy: -567.906 Base-Backbone interact. energy: -4.669 local terms energy: -622.744046 where: bonds (distance) C4'-P energy: -120.178 bonds (distance) P-C4' energy: -129.889 flat angles C4'-P-C4' energy: -135.978 flat angles P-C4'-P energy: -87.318 tors. eta vs tors. theta energy: -149.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1848.805647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.805647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.805647 (E_RNA) where: Base-Base interactions energy: -1272.814 where: short stacking energy: -542.837 Base-Backbone interact. energy: -1.460 local terms energy: -574.532203 where: bonds (distance) C4'-P energy: -112.035 bonds (distance) P-C4' energy: -112.623 flat angles C4'-P-C4' energy: -120.026 flat angles P-C4'-P energy: -84.304 tors. eta vs tors. theta energy: -145.545 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: 9 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1789.080996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.080996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.080996 (E_RNA) where: Base-Base interactions energy: -1236.568 where: short stacking energy: -570.229 Base-Backbone interact. energy: -0.762 local terms energy: -551.750262 where: bonds (distance) C4'-P energy: -99.043 bonds (distance) P-C4' energy: -109.139 flat angles C4'-P-C4' energy: -125.578 flat angles P-C4'-P energy: -60.419 tors. eta vs tors. theta energy: -157.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1621.149636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.149636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.149636 (E_RNA) where: Base-Base interactions energy: -1086.282 where: short stacking energy: -492.385 Base-Backbone interact. energy: -2.682 local terms energy: -532.185256 where: bonds (distance) C4'-P energy: -94.036 bonds (distance) P-C4' energy: -112.612 flat angles C4'-P-C4' energy: -128.440 flat angles P-C4'-P energy: -76.167 tors. eta vs tors. theta energy: -120.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1511.736888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.736888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.736888 (E_RNA) where: Base-Base interactions energy: -991.318 where: short stacking energy: -435.203 Base-Backbone interact. energy: -1.595 local terms energy: -518.823821 where: bonds (distance) C4'-P energy: -108.376 bonds (distance) P-C4' energy: -111.249 flat angles C4'-P-C4' energy: -123.035 flat angles P-C4'-P energy: -78.387 tors. eta vs tors. theta energy: -97.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1108.069442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.069442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.069442 (E_RNA) where: Base-Base interactions energy: -670.322 where: short stacking energy: -319.573 Base-Backbone interact. energy: 4.843 local terms energy: -442.590718 where: bonds (distance) C4'-P energy: -102.635 bonds (distance) P-C4' energy: -105.241 flat angles C4'-P-C4' energy: -110.547 flat angles P-C4'-P energy: -68.295 tors. eta vs tors. theta energy: -55.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -998.578833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.578833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.578833 (E_RNA) where: Base-Base interactions energy: -572.975 where: short stacking energy: -273.042 Base-Backbone interact. energy: -2.183 local terms energy: -423.420318 where: bonds (distance) C4'-P energy: -100.247 bonds (distance) P-C4' energy: -104.189 flat angles C4'-P-C4' energy: -103.028 flat angles P-C4'-P energy: -67.189 tors. eta vs tors. theta energy: -48.767 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: 4 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -650.957725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.957725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.957725 (E_RNA) where: Base-Base interactions energy: -321.568 where: short stacking energy: -195.355 Base-Backbone interact. energy: -1.283 local terms energy: -328.106045 where: bonds (distance) C4'-P energy: -87.725 bonds (distance) P-C4' energy: -103.353 flat angles C4'-P-C4' energy: -83.930 flat angles P-C4'-P energy: -63.641 tors. eta vs tors. theta energy: 10.544 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: 6 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -638.690563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.690563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.690563 (E_RNA) where: Base-Base interactions energy: -312.933 where: short stacking energy: -207.298 Base-Backbone interact. energy: -2.573 local terms energy: -323.184999 where: bonds (distance) C4'-P energy: -75.676 bonds (distance) P-C4' energy: -101.574 flat angles C4'-P-C4' energy: -92.329 flat angles P-C4'-P energy: -49.277 tors. eta vs tors. theta energy: -4.329 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: 1, replica: 3 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2074.121043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.121043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.121043 (E_RNA) where: Base-Base interactions energy: -1414.602 where: short stacking energy: -625.858 Base-Backbone interact. energy: -4.605 local terms energy: -654.913868 where: bonds (distance) C4'-P energy: -126.397 bonds (distance) P-C4' energy: -130.257 flat angles C4'-P-C4' energy: -138.318 flat angles P-C4'-P energy: -81.733 tors. eta vs tors. theta energy: -178.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1915.168622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.168622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.168622 (E_RNA) where: Base-Base interactions energy: -1314.733 where: short stacking energy: -551.713 Base-Backbone interact. energy: -3.124 local terms energy: -597.311434 where: bonds (distance) C4'-P energy: -117.865 bonds (distance) P-C4' energy: -134.407 flat angles C4'-P-C4' energy: -122.631 flat angles P-C4'-P energy: -79.986 tors. eta vs tors. theta energy: -142.423 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: 3, replica: 5 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1882.803207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.803207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.803207 (E_RNA) where: Base-Base interactions energy: -1315.107 where: short stacking energy: -554.625 Base-Backbone interact. energy: -3.797 local terms energy: -563.899624 where: bonds (distance) C4'-P energy: -122.746 bonds (distance) P-C4' energy: -98.198 flat angles C4'-P-C4' energy: -115.209 flat angles P-C4'-P energy: -84.179 tors. eta vs tors. theta energy: -143.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1741.807346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.807346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.807346 (E_RNA) where: Base-Base interactions energy: -1195.935 where: short stacking energy: -526.686 Base-Backbone interact. energy: -2.891 local terms energy: -542.981071 where: bonds (distance) C4'-P energy: -79.587 bonds (distance) P-C4' energy: -127.737 flat angles C4'-P-C4' energy: -112.179 flat angles P-C4'-P energy: -82.826 tors. eta vs tors. theta energy: -140.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1594.138056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.138056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.138056 (E_RNA) where: Base-Base interactions energy: -1086.443 where: short stacking energy: -452.467 Base-Backbone interact. energy: -4.047 local terms energy: -503.647732 where: bonds (distance) C4'-P energy: -94.414 bonds (distance) P-C4' energy: -101.699 flat angles C4'-P-C4' energy: -119.621 flat angles P-C4'-P energy: -79.926 tors. eta vs tors. theta energy: -107.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1543.752390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.752390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.752390 (E_RNA) where: Base-Base interactions energy: -1021.427 where: short stacking energy: -472.543 Base-Backbone interact. energy: 3.218 local terms energy: -525.544244 where: bonds (distance) C4'-P energy: -105.184 bonds (distance) P-C4' energy: -97.618 flat angles C4'-P-C4' energy: -106.563 flat angles P-C4'-P energy: -87.451 tors. eta vs tors. theta energy: -128.728 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: 59 Temperature: 1.200000 Total energy: -1096.215452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.215452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.215452 (E_RNA) where: Base-Base interactions energy: -639.943 where: short stacking energy: -319.085 Base-Backbone interact. energy: 3.355 local terms energy: -459.627398 where: bonds (distance) C4'-P energy: -103.434 bonds (distance) P-C4' energy: -111.848 flat angles C4'-P-C4' energy: -109.585 flat angles P-C4'-P energy: -77.176 tors. eta vs tors. theta energy: -57.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1067.179269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.179269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.179269 (E_RNA) where: Base-Base interactions energy: -623.662 where: short stacking energy: -326.109 Base-Backbone interact. energy: 3.766 local terms energy: -447.283643 where: bonds (distance) C4'-P energy: -101.854 bonds (distance) P-C4' energy: -117.941 flat angles C4'-P-C4' energy: -106.458 flat angles P-C4'-P energy: -63.822 tors. eta vs tors. theta energy: -57.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -620.100890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.100890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.100890 (E_RNA) where: Base-Base interactions energy: -288.944 where: short stacking energy: -190.725 Base-Backbone interact. energy: 2.118 local terms energy: -333.275315 where: bonds (distance) C4'-P energy: -88.670 bonds (distance) P-C4' energy: -96.374 flat angles C4'-P-C4' energy: -88.423 flat angles P-C4'-P energy: -59.977 tors. eta vs tors. theta energy: 0.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -663.479009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.479009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.479009 (E_RNA) where: Base-Base interactions energy: -334.240 where: short stacking energy: -189.082 Base-Backbone interact. energy: 7.389 local terms energy: -336.627780 where: bonds (distance) C4'-P energy: -91.201 bonds (distance) P-C4' energy: -103.246 flat angles C4'-P-C4' energy: -101.370 flat angles P-C4'-P energy: -35.660 tors. eta vs tors. theta energy: -5.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2048.183844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.183844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.183844 (E_RNA) where: Base-Base interactions energy: -1411.584 where: short stacking energy: -624.725 Base-Backbone interact. energy: 1.105 local terms energy: -637.705100 where: bonds (distance) C4'-P energy: -117.509 bonds (distance) P-C4' energy: -119.680 flat angles C4'-P-C4' energy: -130.218 flat angles P-C4'-P energy: -99.528 tors. eta vs tors. theta energy: -170.769 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: 7 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1914.296819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.296819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.296819 (E_RNA) where: Base-Base interactions energy: -1312.399 where: short stacking energy: -572.152 Base-Backbone interact. energy: -0.348 local terms energy: -601.549231 where: bonds (distance) C4'-P energy: -116.179 bonds (distance) P-C4' energy: -123.908 flat angles C4'-P-C4' energy: -134.893 flat angles P-C4'-P energy: -79.504 tors. eta vs tors. theta energy: -147.066 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: 5 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1874.546775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.546775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.546775 (E_RNA) where: Base-Base interactions energy: -1302.347 where: short stacking energy: -556.364 Base-Backbone interact. energy: -5.181 local terms energy: -567.018737 where: bonds (distance) C4'-P energy: -117.837 bonds (distance) P-C4' energy: -119.282 flat angles C4'-P-C4' energy: -114.071 flat angles P-C4'-P energy: -72.909 tors. eta vs tors. theta energy: -142.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1786.149159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.149159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.149159 (E_RNA) where: Base-Base interactions energy: -1184.303 where: short stacking energy: -520.398 Base-Backbone interact. energy: -3.744 local terms energy: -598.102367 where: bonds (distance) C4'-P energy: -123.196 bonds (distance) P-C4' energy: -112.234 flat angles C4'-P-C4' energy: -127.216 flat angles P-C4'-P energy: -80.621 tors. eta vs tors. theta energy: -154.836 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: 5, replica: 1 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1617.948670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.948670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.948670 (E_RNA) where: Base-Base interactions energy: -1095.679 where: short stacking energy: -506.862 Base-Backbone interact. energy: 0.405 local terms energy: -522.674588 where: bonds (distance) C4'-P energy: -101.740 bonds (distance) P-C4' energy: -110.626 flat angles C4'-P-C4' energy: -118.085 flat angles P-C4'-P energy: -67.052 tors. eta vs tors. theta energy: -125.172 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: 8 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1535.553182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.553182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.553182 (E_RNA) where: Base-Base interactions energy: -1041.245 where: short stacking energy: -450.560 Base-Backbone interact. energy: -1.696 local terms energy: -492.612047 where: bonds (distance) C4'-P energy: -96.232 bonds (distance) P-C4' energy: -116.311 flat angles C4'-P-C4' energy: -122.925 flat angles P-C4'-P energy: -61.292 tors. eta vs tors. theta energy: -95.851 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: 7, replica: 10 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1091.836019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.836019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.836019 (E_RNA) where: Base-Base interactions energy: -663.135 where: short stacking energy: -321.989 Base-Backbone interact. energy: 1.717 local terms energy: -430.417409 where: bonds (distance) C4'-P energy: -111.863 bonds (distance) P-C4' energy: -94.099 flat angles C4'-P-C4' energy: -100.066 flat angles P-C4'-P energy: -64.205 tors. eta vs tors. theta energy: -60.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1081.786278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.786278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.786278 (E_RNA) where: Base-Base interactions energy: -656.962 where: short stacking energy: -330.021 Base-Backbone interact. energy: -0.008 local terms energy: -424.816883 where: bonds (distance) C4'-P energy: -95.690 bonds (distance) P-C4' energy: -107.447 flat angles C4'-P-C4' energy: -108.153 flat angles P-C4'-P energy: -55.322 tors. eta vs tors. theta energy: -58.205 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: 6 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -751.579464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.579464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.579464 (E_RNA) where: Base-Base interactions energy: -419.813 where: short stacking energy: -218.872 Base-Backbone interact. energy: 3.655 local terms energy: -335.421606 where: bonds (distance) C4'-P energy: -94.336 bonds (distance) P-C4' energy: -106.213 flat angles C4'-P-C4' energy: -90.010 flat angles P-C4'-P energy: -48.078 tors. eta vs tors. theta energy: 3.216 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: 4 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -572.503078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.503078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.503078 (E_RNA) where: Base-Base interactions energy: -241.662 where: short stacking energy: -158.419 Base-Backbone interact. energy: -3.565 local terms energy: -327.276347 where: bonds (distance) C4'-P energy: -97.294 bonds (distance) P-C4' energy: -105.357 flat angles C4'-P-C4' energy: -74.882 flat angles P-C4'-P energy: -63.319 tors. eta vs tors. theta energy: 13.576 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: 3 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2045.689914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.689914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.689914 (E_RNA) where: Base-Base interactions energy: -1405.227 where: short stacking energy: -629.368 Base-Backbone interact. energy: -2.272 local terms energy: -638.191507 where: bonds (distance) C4'-P energy: -115.849 bonds (distance) P-C4' energy: -129.756 flat angles C4'-P-C4' energy: -136.064 flat angles P-C4'-P energy: -81.024 tors. eta vs tors. theta energy: -175.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1948.260586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.260586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.260586 (E_RNA) where: Base-Base interactions energy: -1335.600 where: short stacking energy: -587.428 Base-Backbone interact. energy: -0.699 local terms energy: -611.961533 where: bonds (distance) C4'-P energy: -116.476 bonds (distance) P-C4' energy: -126.327 flat angles C4'-P-C4' energy: -131.123 flat angles P-C4'-P energy: -82.998 tors. eta vs tors. theta energy: -155.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1905.892679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.892679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.892679 (E_RNA) where: Base-Base interactions energy: -1318.664 where: short stacking energy: -558.209 Base-Backbone interact. energy: -2.080 local terms energy: -585.148746 where: bonds (distance) C4'-P energy: -108.257 bonds (distance) P-C4' energy: -117.353 flat angles C4'-P-C4' energy: -132.077 flat angles P-C4'-P energy: -76.812 tors. eta vs tors. theta energy: -150.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1803.163297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.163297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.163297 (E_RNA) where: Base-Base interactions energy: -1187.797 where: short stacking energy: -525.210 Base-Backbone interact. energy: -3.771 local terms energy: -611.595690 where: bonds (distance) C4'-P energy: -114.310 bonds (distance) P-C4' energy: -126.154 flat angles C4'-P-C4' energy: -129.221 flat angles P-C4'-P energy: -90.523 tors. eta vs tors. theta energy: -151.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1575.017322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.017322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.017322 (E_RNA) where: Base-Base interactions energy: -1034.846 where: short stacking energy: -458.633 Base-Backbone interact. energy: -2.537 local terms energy: -537.634374 where: bonds (distance) C4'-P energy: -113.272 bonds (distance) P-C4' energy: -123.039 flat angles C4'-P-C4' energy: -119.443 flat angles P-C4'-P energy: -65.565 tors. eta vs tors. theta energy: -116.316 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: 6, replica: 8 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1534.766906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.766906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.766906 (E_RNA) where: Base-Base interactions energy: -1027.235 where: short stacking energy: -426.358 Base-Backbone interact. energy: 2.880 local terms energy: -510.412053 where: bonds (distance) C4'-P energy: -116.256 bonds (distance) P-C4' energy: -113.028 flat angles C4'-P-C4' energy: -115.922 flat angles P-C4'-P energy: -69.838 tors. eta vs tors. theta energy: -95.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1094.011582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.011582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.011582 (E_RNA) where: Base-Base interactions energy: -644.323 where: short stacking energy: -334.262 Base-Backbone interact. energy: -1.353 local terms energy: -448.335606 where: bonds (distance) C4'-P energy: -112.658 bonds (distance) P-C4' energy: -115.948 flat angles C4'-P-C4' energy: -114.472 flat angles P-C4'-P energy: -51.586 tors. eta vs tors. theta energy: -53.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1074.514857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.514857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.514857 (E_RNA) where: Base-Base interactions energy: -636.811 where: short stacking energy: -337.314 Base-Backbone interact. energy: 2.229 local terms energy: -439.933205 where: bonds (distance) C4'-P energy: -83.717 bonds (distance) P-C4' energy: -109.594 flat angles C4'-P-C4' energy: -115.074 flat angles P-C4'-P energy: -60.149 tors. eta vs tors. theta energy: -71.400 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: 6 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -698.932667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.932667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.932667 (E_RNA) where: Base-Base interactions energy: -360.349 where: short stacking energy: -203.039 Base-Backbone interact. energy: 5.195 local terms energy: -343.778281 where: bonds (distance) C4'-P energy: -97.789 bonds (distance) P-C4' energy: -91.249 flat angles C4'-P-C4' energy: -100.145 flat angles P-C4'-P energy: -46.560 tors. eta vs tors. theta energy: -8.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -604.079194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.079194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.079194 (E_RNA) where: Base-Base interactions energy: -255.048 where: short stacking energy: -163.116 Base-Backbone interact. energy: 8.811 local terms energy: -357.842042 where: bonds (distance) C4'-P energy: -113.559 bonds (distance) P-C4' energy: -107.222 flat angles C4'-P-C4' energy: -90.616 flat angles P-C4'-P energy: -61.992 tors. eta vs tors. theta energy: 15.547 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: 62 Temperature: 0.900000 Total energy: -2054.541969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.541969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.541969 (E_RNA) where: Base-Base interactions energy: -1381.916 where: short stacking energy: -635.264 Base-Backbone interact. energy: -2.329 local terms energy: -670.297549 where: bonds (distance) C4'-P energy: -130.701 bonds (distance) P-C4' energy: -130.375 flat angles C4'-P-C4' energy: -137.041 flat angles P-C4'-P energy: -92.903 tors. eta vs tors. theta energy: -179.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1934.032652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.032652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.032652 (E_RNA) where: Base-Base interactions energy: -1327.003 where: short stacking energy: -586.951 Base-Backbone interact. energy: -3.097 local terms energy: -603.932907 where: bonds (distance) C4'-P energy: -110.606 bonds (distance) P-C4' energy: -127.230 flat angles C4'-P-C4' energy: -126.112 flat angles P-C4'-P energy: -81.597 tors. eta vs tors. theta energy: -158.388 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: 3, replica: 5 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1912.812088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.812088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.812088 (E_RNA) where: Base-Base interactions energy: -1326.291 where: short stacking energy: -543.582 Base-Backbone interact. energy: -4.782 local terms energy: -581.739548 where: bonds (distance) C4'-P energy: -120.165 bonds (distance) P-C4' energy: -115.560 flat angles C4'-P-C4' energy: -127.386 flat angles P-C4'-P energy: -74.543 tors. eta vs tors. theta energy: -144.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1805.716426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.716426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.716426 (E_RNA) where: Base-Base interactions energy: -1206.332 where: short stacking energy: -539.451 Base-Backbone interact. energy: -0.624 local terms energy: -598.760875 where: bonds (distance) C4'-P energy: -119.162 bonds (distance) P-C4' energy: -110.882 flat angles C4'-P-C4' energy: -129.825 flat angles P-C4'-P energy: -86.018 tors. eta vs tors. theta energy: -152.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1664.686123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.686123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.686123 (E_RNA) where: Base-Base interactions energy: -1133.893 where: short stacking energy: -488.818 Base-Backbone interact. energy: -2.975 local terms energy: -527.818124 where: bonds (distance) C4'-P energy: -104.940 bonds (distance) P-C4' energy: -104.903 flat angles C4'-P-C4' energy: -121.241 flat angles P-C4'-P energy: -77.890 tors. eta vs tors. theta energy: -118.844 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: 1 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1526.369132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.369132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.369132 (E_RNA) where: Base-Base interactions energy: -997.597 where: short stacking energy: -448.585 Base-Backbone interact. energy: -2.085 local terms energy: -526.686622 where: bonds (distance) C4'-P energy: -97.745 bonds (distance) P-C4' energy: -109.538 flat angles C4'-P-C4' energy: -125.385 flat angles P-C4'-P energy: -69.540 tors. eta vs tors. theta energy: -124.478 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: 7, replica: 10 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1066.514962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.514962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.514962 (E_RNA) where: Base-Base interactions energy: -628.294 where: short stacking energy: -349.591 Base-Backbone interact. energy: -3.514 local terms energy: -434.707167 where: bonds (distance) C4'-P energy: -105.593 bonds (distance) P-C4' energy: -115.826 flat angles C4'-P-C4' energy: -84.134 flat angles P-C4'-P energy: -66.560 tors. eta vs tors. theta energy: -62.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -973.556112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.556112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.556112 (E_RNA) where: Base-Base interactions energy: -585.073 where: short stacking energy: -300.654 Base-Backbone interact. energy: -1.058 local terms energy: -387.425000 where: bonds (distance) C4'-P energy: -104.108 bonds (distance) P-C4' energy: -106.047 flat angles C4'-P-C4' energy: -87.156 flat angles P-C4'-P energy: -66.549 tors. eta vs tors. theta energy: -23.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -694.627193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.627193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.627193 (E_RNA) where: Base-Base interactions energy: -336.633 where: short stacking energy: -199.292 Base-Backbone interact. energy: 2.873 local terms energy: -360.866596 where: bonds (distance) C4'-P energy: -109.266 bonds (distance) P-C4' energy: -82.289 flat angles C4'-P-C4' energy: -101.481 flat angles P-C4'-P energy: -57.437 tors. eta vs tors. theta energy: -10.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -615.414968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.414968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.414968 (E_RNA) where: Base-Base interactions energy: -316.226 where: short stacking energy: -214.687 Base-Backbone interact. energy: 2.899 local terms energy: -302.087772 where: bonds (distance) C4'-P energy: -85.576 bonds (distance) P-C4' energy: -105.982 flat angles C4'-P-C4' energy: -76.299 flat angles P-C4'-P energy: -33.571 tors. eta vs tors. theta energy: -0.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2038.063293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.063293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.063293 (E_RNA) where: Base-Base interactions energy: -1391.739 where: short stacking energy: -627.819 Base-Backbone interact. energy: -2.007 local terms energy: -644.317301 where: bonds (distance) C4'-P energy: -119.275 bonds (distance) P-C4' energy: -122.862 flat angles C4'-P-C4' energy: -143.139 flat angles P-C4'-P energy: -85.824 tors. eta vs tors. theta energy: -173.218 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: 7 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1967.993087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.993087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.993087 (E_RNA) where: Base-Base interactions energy: -1351.689 where: short stacking energy: -588.127 Base-Backbone interact. energy: 1.556 local terms energy: -617.860446 where: bonds (distance) C4'-P energy: -109.337 bonds (distance) P-C4' energy: -121.872 flat angles C4'-P-C4' energy: -131.328 flat angles P-C4'-P energy: -96.802 tors. eta vs tors. theta energy: -158.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1960.184538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.184538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.184538 (E_RNA) where: Base-Base interactions energy: -1355.079 where: short stacking energy: -561.648 Base-Backbone interact. energy: -2.999 local terms energy: -602.106509 where: bonds (distance) C4'-P energy: -114.278 bonds (distance) P-C4' energy: -110.866 flat angles C4'-P-C4' energy: -132.606 flat angles P-C4'-P energy: -87.848 tors. eta vs tors. theta energy: -156.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1806.652778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.652778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.652778 (E_RNA) where: Base-Base interactions energy: -1267.468 where: short stacking energy: -552.067 Base-Backbone interact. energy: 2.844 local terms energy: -542.028853 where: bonds (distance) C4'-P energy: -99.147 bonds (distance) P-C4' energy: -105.977 flat angles C4'-P-C4' energy: -115.512 flat angles P-C4'-P energy: -73.450 tors. eta vs tors. theta energy: -147.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1628.373302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.373302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.373302 (E_RNA) where: Base-Base interactions energy: -1105.003 where: short stacking energy: -476.815 Base-Backbone interact. energy: -3.421 local terms energy: -519.948789 where: bonds (distance) C4'-P energy: -118.540 bonds (distance) P-C4' energy: -101.414 flat angles C4'-P-C4' energy: -109.077 flat angles P-C4'-P energy: -73.217 tors. eta vs tors. theta energy: -117.699 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: 1 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1540.943114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.943114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.943114 (E_RNA) where: Base-Base interactions energy: -1040.430 where: short stacking energy: -472.993 Base-Backbone interact. energy: 4.215 local terms energy: -504.728362 where: bonds (distance) C4'-P energy: -96.132 bonds (distance) P-C4' energy: -108.810 flat angles C4'-P-C4' energy: -116.298 flat angles P-C4'-P energy: -73.505 tors. eta vs tors. theta energy: -109.983 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: 63 Temperature: 1.200000 Total energy: -1149.304766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.304766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.304766 (E_RNA) where: Base-Base interactions energy: -702.797 where: short stacking energy: -317.360 Base-Backbone interact. energy: -1.162 local terms energy: -445.345030 where: bonds (distance) C4'-P energy: -103.253 bonds (distance) P-C4' energy: -116.142 flat angles C4'-P-C4' energy: -95.623 flat angles P-C4'-P energy: -57.923 tors. eta vs tors. theta energy: -72.403 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: 2 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1008.218640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.218640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.218640 (E_RNA) where: Base-Base interactions energy: -615.489 where: short stacking energy: -313.890 Base-Backbone interact. energy: -3.702 local terms energy: -389.026964 where: bonds (distance) C4'-P energy: -110.600 bonds (distance) P-C4' energy: -104.085 flat angles C4'-P-C4' energy: -80.736 flat angles P-C4'-P energy: -60.426 tors. eta vs tors. theta energy: -33.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -657.337510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.337510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.337510 (E_RNA) where: Base-Base interactions energy: -291.258 where: short stacking energy: -192.016 Base-Backbone interact. energy: -2.699 local terms energy: -363.380710 where: bonds (distance) C4'-P energy: -79.865 bonds (distance) P-C4' energy: -116.870 flat angles C4'-P-C4' energy: -100.052 flat angles P-C4'-P energy: -68.369 tors. eta vs tors. theta energy: 1.774 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: 4 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -604.370485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.370485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.370485 (E_RNA) where: Base-Base interactions energy: -259.825 where: short stacking energy: -157.034 Base-Backbone interact. energy: -1.162 local terms energy: -343.383469 where: bonds (distance) C4'-P energy: -97.138 bonds (distance) P-C4' energy: -111.591 flat angles C4'-P-C4' energy: -93.626 flat angles P-C4'-P energy: -45.498 tors. eta vs tors. theta energy: 4.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2049.802242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.802242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.802242 (E_RNA) where: Base-Base interactions energy: -1389.409 where: short stacking energy: -620.465 Base-Backbone interact. energy: -4.873 local terms energy: -655.520815 where: bonds (distance) C4'-P energy: -122.780 bonds (distance) P-C4' energy: -136.240 flat angles C4'-P-C4' energy: -137.263 flat angles P-C4'-P energy: -84.269 tors. eta vs tors. theta energy: -174.969 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: 7 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1980.134636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.134636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.134636 (E_RNA) where: Base-Base interactions energy: -1365.685 where: short stacking energy: -594.291 Base-Backbone interact. energy: -2.828 local terms energy: -611.621612 where: bonds (distance) C4'-P energy: -118.507 bonds (distance) P-C4' energy: -123.337 flat angles C4'-P-C4' energy: -124.606 flat angles P-C4'-P energy: -87.122 tors. eta vs tors. theta energy: -158.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1959.915995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.915995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.915995 (E_RNA) where: Base-Base interactions energy: -1362.712 where: short stacking energy: -553.706 Base-Backbone interact. energy: -2.912 local terms energy: -594.291963 where: bonds (distance) C4'-P energy: -117.048 bonds (distance) P-C4' energy: -117.963 flat angles C4'-P-C4' energy: -122.763 flat angles P-C4'-P energy: -84.532 tors. eta vs tors. theta energy: -151.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1797.861343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.861343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.861343 (E_RNA) where: Base-Base interactions energy: -1200.694 where: short stacking energy: -544.454 Base-Backbone interact. energy: -0.235 local terms energy: -596.932069 where: bonds (distance) C4'-P energy: -111.221 bonds (distance) P-C4' energy: -125.114 flat angles C4'-P-C4' energy: -130.564 flat angles P-C4'-P energy: -83.628 tors. eta vs tors. theta energy: -146.404 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: 5, replica: 1 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1589.349849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.349849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.349849 (E_RNA) where: Base-Base interactions energy: -1031.257 where: short stacking energy: -490.043 Base-Backbone interact. energy: 0.519 local terms energy: -558.611690 where: bonds (distance) C4'-P energy: -110.235 bonds (distance) P-C4' energy: -117.085 flat angles C4'-P-C4' energy: -122.207 flat angles P-C4'-P energy: -79.561 tors. eta vs tors. theta energy: -129.524 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: 6, replica: 8 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1548.923750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.923750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.923750 (E_RNA) where: Base-Base interactions energy: -1053.040 where: short stacking energy: -420.830 Base-Backbone interact. energy: -4.720 local terms energy: -491.163279 where: bonds (distance) C4'-P energy: -114.814 bonds (distance) P-C4' energy: -98.432 flat angles C4'-P-C4' energy: -125.459 flat angles P-C4'-P energy: -62.691 tors. eta vs tors. theta energy: -89.767 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: 7, replica: 10 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1163.294396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.294396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.294396 (E_RNA) where: Base-Base interactions energy: -700.781 where: short stacking energy: -324.046 Base-Backbone interact. energy: -1.556 local terms energy: -460.957807 where: bonds (distance) C4'-P energy: -101.636 bonds (distance) P-C4' energy: -115.432 flat angles C4'-P-C4' energy: -107.111 flat angles P-C4'-P energy: -84.219 tors. eta vs tors. theta energy: -52.560 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: 2 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1148.642700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.642700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.642700 (E_RNA) where: Base-Base interactions energy: -712.346 where: short stacking energy: -368.587 Base-Backbone interact. energy: -0.724 local terms energy: -435.572777 where: bonds (distance) C4'-P energy: -95.773 bonds (distance) P-C4' energy: -95.947 flat angles C4'-P-C4' energy: -97.533 flat angles P-C4'-P energy: -77.626 tors. eta vs tors. theta energy: -68.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -653.796946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.796946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.796946 (E_RNA) where: Base-Base interactions energy: -296.839 where: short stacking energy: -200.469 Base-Backbone interact. energy: 0.218 local terms energy: -357.175561 where: bonds (distance) C4'-P energy: -120.806 bonds (distance) P-C4' energy: -92.510 flat angles C4'-P-C4' energy: -97.268 flat angles P-C4'-P energy: -54.572 tors. eta vs tors. theta energy: 7.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -597.763878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.763878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.763878 (E_RNA) where: Base-Base interactions energy: -282.441 where: short stacking energy: -165.467 Base-Backbone interact. energy: -3.076 local terms energy: -312.246472 where: bonds (distance) C4'-P energy: -97.805 bonds (distance) P-C4' energy: -92.834 flat angles C4'-P-C4' energy: -87.747 flat angles P-C4'-P energy: -39.283 tors. eta vs tors. theta energy: 5.423 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: 3 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2068.431836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.431836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.431836 (E_RNA) where: Base-Base interactions energy: -1438.979 where: short stacking energy: -627.106 Base-Backbone interact. energy: -1.126 local terms energy: -628.326705 where: bonds (distance) C4'-P energy: -108.019 bonds (distance) P-C4' energy: -126.166 flat angles C4'-P-C4' energy: -130.336 flat angles P-C4'-P energy: -87.498 tors. eta vs tors. theta energy: -176.308 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: 7 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1969.772633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.772633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.772633 (E_RNA) where: Base-Base interactions energy: -1386.776 where: short stacking energy: -576.225 Base-Backbone interact. energy: -2.463 local terms energy: -580.532987 where: bonds (distance) C4'-P energy: -117.620 bonds (distance) P-C4' energy: -100.048 flat angles C4'-P-C4' energy: -122.644 flat angles P-C4'-P energy: -85.135 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: 3, replica: 5 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1937.863575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.863575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.863575 (E_RNA) where: Base-Base interactions energy: -1314.807 where: short stacking energy: -565.019 Base-Backbone interact. energy: -2.604 local terms energy: -620.452625 where: bonds (distance) C4'-P energy: -125.799 bonds (distance) P-C4' energy: -111.850 flat angles C4'-P-C4' energy: -141.506 flat angles P-C4'-P energy: -82.305 tors. eta vs tors. theta energy: -158.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1818.395164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.395164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.395164 (E_RNA) where: Base-Base interactions energy: -1208.576 where: short stacking energy: -554.350 Base-Backbone interact. energy: 2.048 local terms energy: -611.866825 where: bonds (distance) C4'-P energy: -121.717 bonds (distance) P-C4' energy: -110.008 flat angles C4'-P-C4' energy: -127.922 flat angles P-C4'-P energy: -94.541 tors. eta vs tors. theta energy: -157.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1565.349361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.349361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.349361 (E_RNA) where: Base-Base interactions energy: -1027.439 where: short stacking energy: -479.283 Base-Backbone interact. energy: -1.756 local terms energy: -536.153895 where: bonds (distance) C4'-P energy: -110.240 bonds (distance) P-C4' energy: -114.303 flat angles C4'-P-C4' energy: -117.962 flat angles P-C4'-P energy: -70.679 tors. eta vs tors. theta energy: -122.969 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: 8 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1583.008473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.008473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.008473 (E_RNA) where: Base-Base interactions energy: -1062.809 where: short stacking energy: -470.042 Base-Backbone interact. energy: -1.353 local terms energy: -518.845514 where: bonds (distance) C4'-P energy: -102.192 bonds (distance) P-C4' energy: -107.131 flat angles C4'-P-C4' energy: -118.198 flat angles P-C4'-P energy: -74.795 tors. eta vs tors. theta energy: -116.529 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: 10 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1278.301470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.301470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.301470 (E_RNA) where: Base-Base interactions energy: -821.389 where: short stacking energy: -386.233 Base-Backbone interact. energy: 0.848 local terms energy: -457.759968 where: bonds (distance) C4'-P energy: -89.963 bonds (distance) P-C4' energy: -110.626 flat angles C4'-P-C4' energy: -119.028 flat angles P-C4'-P energy: -53.905 tors. eta vs tors. theta energy: -84.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1196.830053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.830053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.830053 (E_RNA) where: Base-Base interactions energy: -734.350 where: short stacking energy: -347.680 Base-Backbone interact. energy: 0.377 local terms energy: -462.857140 where: bonds (distance) C4'-P energy: -102.166 bonds (distance) P-C4' energy: -114.061 flat angles C4'-P-C4' energy: -114.655 flat angles P-C4'-P energy: -69.797 tors. eta vs tors. theta energy: -62.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -675.609547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.609547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.609547 (E_RNA) where: Base-Base interactions energy: -348.230 where: short stacking energy: -225.323 Base-Backbone interact. energy: -2.231 local terms energy: -325.149025 where: bonds (distance) C4'-P energy: -94.876 bonds (distance) P-C4' energy: -98.495 flat angles C4'-P-C4' energy: -102.821 flat angles P-C4'-P energy: -41.197 tors. eta vs tors. theta energy: 12.240 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: 4 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -570.043838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.043838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.043838 (E_RNA) where: Base-Base interactions energy: -264.741 where: short stacking energy: -157.477 Base-Backbone interact. energy: 0.561 local terms energy: -305.863452 where: bonds (distance) C4'-P energy: -102.101 bonds (distance) P-C4' energy: -95.274 flat angles C4'-P-C4' energy: -87.858 flat angles P-C4'-P energy: -46.164 tors. eta vs tors. theta energy: 25.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2063.111607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.111607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.111607 (E_RNA) where: Base-Base interactions energy: -1388.671 where: short stacking energy: -621.287 Base-Backbone interact. energy: -2.501 local terms energy: -671.939411 where: bonds (distance) C4'-P energy: -131.472 bonds (distance) P-C4' energy: -126.643 flat angles C4'-P-C4' energy: -144.857 flat angles P-C4'-P energy: -87.452 tors. eta vs tors. theta energy: -181.514 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: 2, replica: 7 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1999.908759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.908759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.908759 (E_RNA) where: Base-Base interactions energy: -1389.900 where: short stacking energy: -600.784 Base-Backbone interact. energy: -4.757 local terms energy: -605.252108 where: bonds (distance) C4'-P energy: -126.023 bonds (distance) P-C4' energy: -105.295 flat angles C4'-P-C4' energy: -122.423 flat angles P-C4'-P energy: -90.857 tors. eta vs tors. theta energy: -160.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1975.081991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.081991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.081991 (E_RNA) where: Base-Base interactions energy: -1374.987 where: short stacking energy: -592.118 Base-Backbone interact. energy: -0.193 local terms energy: -599.902099 where: bonds (distance) C4'-P energy: -105.439 bonds (distance) P-C4' energy: -125.192 flat angles C4'-P-C4' energy: -135.981 flat angles P-C4'-P energy: -87.091 tors. eta vs tors. theta energy: -146.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1785.030546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.030546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.030546 (E_RNA) where: Base-Base interactions energy: -1200.660 where: short stacking energy: -538.637 Base-Backbone interact. energy: -2.249 local terms energy: -582.121884 where: bonds (distance) C4'-P energy: -109.551 bonds (distance) P-C4' energy: -125.353 flat angles C4'-P-C4' energy: -119.930 flat angles P-C4'-P energy: -78.841 tors. eta vs tors. theta energy: -148.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1581.854980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.854980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.854980 (E_RNA) where: Base-Base interactions energy: -1027.011 where: short stacking energy: -474.560 Base-Backbone interact. energy: -1.772 local terms energy: -553.071608 where: bonds (distance) C4'-P energy: -112.275 bonds (distance) P-C4' energy: -118.888 flat angles C4'-P-C4' energy: -115.945 flat angles P-C4'-P energy: -83.944 tors. eta vs tors. theta energy: -122.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1661.170852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.170852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.170852 (E_RNA) where: Base-Base interactions energy: -1161.262 where: short stacking energy: -495.087 Base-Backbone interact. energy: -2.352 local terms energy: -497.556563 where: bonds (distance) C4'-P energy: -101.151 bonds (distance) P-C4' energy: -94.857 flat angles C4'-P-C4' energy: -122.279 flat angles P-C4'-P energy: -64.519 tors. eta vs tors. theta energy: -114.751 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: 7, replica: 10 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1236.080219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.080219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.080219 (E_RNA) where: Base-Base interactions energy: -788.064 where: short stacking energy: -352.695 Base-Backbone interact. energy: 1.910 local terms energy: -449.926354 where: bonds (distance) C4'-P energy: -107.295 bonds (distance) P-C4' energy: -118.522 flat angles C4'-P-C4' energy: -95.698 flat angles P-C4'-P energy: -59.172 tors. eta vs tors. theta energy: -69.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1221.622960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.622960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.622960 (E_RNA) where: Base-Base interactions energy: -775.666 where: short stacking energy: -361.902 Base-Backbone interact. energy: -2.022 local terms energy: -443.934629 where: bonds (distance) C4'-P energy: -93.103 bonds (distance) P-C4' energy: -104.704 flat angles C4'-P-C4' energy: -119.279 flat angles P-C4'-P energy: -49.496 tors. eta vs tors. theta energy: -77.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -689.798461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.798461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.798461 (E_RNA) where: Base-Base interactions energy: -384.716 where: short stacking energy: -212.479 Base-Backbone interact. energy: -2.112 local terms energy: -302.970995 where: bonds (distance) C4'-P energy: -88.754 bonds (distance) P-C4' energy: -95.615 flat angles C4'-P-C4' energy: -85.234 flat angles P-C4'-P energy: -34.049 tors. eta vs tors. theta energy: 0.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -564.434569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.434569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.434569 (E_RNA) where: Base-Base interactions energy: -238.772 where: short stacking energy: -174.010 Base-Backbone interact. energy: 7.654 local terms energy: -333.316787 where: bonds (distance) C4'-P energy: -113.383 bonds (distance) P-C4' energy: -84.495 flat angles C4'-P-C4' energy: -75.445 flat angles P-C4'-P energy: -70.830 tors. eta vs tors. theta energy: 10.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2061.775832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.775832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.775832 (E_RNA) where: Base-Base interactions energy: -1401.039 where: short stacking energy: -621.422 Base-Backbone interact. energy: -3.748 local terms energy: -656.989730 where: bonds (distance) C4'-P energy: -131.607 bonds (distance) P-C4' energy: -122.929 flat angles C4'-P-C4' energy: -139.640 flat angles P-C4'-P energy: -91.961 tors. eta vs tors. theta energy: -170.853 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: 5 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2001.772594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.772594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.772594 (E_RNA) where: Base-Base interactions energy: -1387.784 where: short stacking energy: -583.768 Base-Backbone interact. energy: -1.201 local terms energy: -612.787436 where: bonds (distance) C4'-P energy: -118.809 bonds (distance) P-C4' energy: -119.733 flat angles C4'-P-C4' energy: -143.958 flat angles P-C4'-P energy: -76.079 tors. eta vs tors. theta energy: -154.209 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: 7 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1953.924801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.924801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.924801 (E_RNA) where: Base-Base interactions energy: -1361.678 where: short stacking energy: -566.112 Base-Backbone interact. energy: -2.146 local terms energy: -590.100865 where: bonds (distance) C4'-P energy: -109.977 bonds (distance) P-C4' energy: -111.419 flat angles C4'-P-C4' energy: -131.391 flat angles P-C4'-P energy: -84.589 tors. eta vs tors. theta energy: -152.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1797.925286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.925286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.925286 (E_RNA) where: Base-Base interactions energy: -1207.158 where: short stacking energy: -514.791 Base-Backbone interact. energy: -5.569 local terms energy: -585.198276 where: bonds (distance) C4'-P energy: -125.018 bonds (distance) P-C4' energy: -106.063 flat angles C4'-P-C4' energy: -130.156 flat angles P-C4'-P energy: -80.252 tors. eta vs tors. theta energy: -143.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1581.049631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.049631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.049631 (E_RNA) where: Base-Base interactions energy: -1070.785 where: short stacking energy: -507.601 Base-Backbone interact. energy: -1.426 local terms energy: -508.839507 where: bonds (distance) C4'-P energy: -105.863 bonds (distance) P-C4' energy: -92.177 flat angles C4'-P-C4' energy: -122.671 flat angles P-C4'-P energy: -65.269 tors. eta vs tors. theta energy: -122.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1543.170240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.170240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.170240 (E_RNA) where: Base-Base interactions energy: -1036.269 where: short stacking energy: -426.744 Base-Backbone interact. energy: -2.143 local terms energy: -504.758995 where: bonds (distance) C4'-P energy: -103.548 bonds (distance) P-C4' energy: -117.576 flat angles C4'-P-C4' energy: -124.841 flat angles P-C4'-P energy: -62.590 tors. eta vs tors. theta energy: -96.204 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: 10 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1195.639068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.639068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.639068 (E_RNA) where: Base-Base interactions energy: -732.234 where: short stacking energy: -339.066 Base-Backbone interact. energy: -1.970 local terms energy: -461.435971 where: bonds (distance) C4'-P energy: -107.123 bonds (distance) P-C4' energy: -113.574 flat angles C4'-P-C4' energy: -96.408 flat angles P-C4'-P energy: -76.976 tors. eta vs tors. theta energy: -67.356 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: 2 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1260.809322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.809322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.809322 (E_RNA) where: Base-Base interactions energy: -795.071 where: short stacking energy: -399.942 Base-Backbone interact. energy: -2.855 local terms energy: -462.883939 where: bonds (distance) C4'-P energy: -98.206 bonds (distance) P-C4' energy: -96.768 flat angles C4'-P-C4' energy: -107.724 flat angles P-C4'-P energy: -69.715 tors. eta vs tors. theta energy: -90.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -748.470082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.470082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.470082 (E_RNA) where: Base-Base interactions energy: -385.085 where: short stacking energy: -237.816 Base-Backbone interact. energy: -3.513 local terms energy: -359.872247 where: bonds (distance) C4'-P energy: -95.412 bonds (distance) P-C4' energy: -107.434 flat angles C4'-P-C4' energy: -93.067 flat angles P-C4'-P energy: -46.775 tors. eta vs tors. theta energy: -17.185 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: 10, replica: 4 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -560.165936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.165936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.165936 (E_RNA) where: Base-Base interactions energy: -262.130 where: short stacking energy: -164.293 Base-Backbone interact. energy: 2.848 local terms energy: -300.883968 where: bonds (distance) C4'-P energy: -96.565 bonds (distance) P-C4' energy: -105.332 flat angles C4'-P-C4' energy: -63.552 flat angles P-C4'-P energy: -52.072 tors. eta vs tors. theta energy: 16.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2033.607001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.607001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.607001 (E_RNA) where: Base-Base interactions energy: -1408.652 where: short stacking energy: -622.789 Base-Backbone interact. energy: -0.739 local terms energy: -624.216179 where: bonds (distance) C4'-P energy: -115.811 bonds (distance) P-C4' energy: -126.127 flat angles C4'-P-C4' energy: -132.247 flat angles P-C4'-P energy: -89.826 tors. eta vs tors. theta energy: -160.204 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: 5 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1991.867969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.867969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.867969 (E_RNA) where: Base-Base interactions energy: -1362.020 where: short stacking energy: -574.094 Base-Backbone interact. energy: -3.013 local terms energy: -626.834937 where: bonds (distance) C4'-P energy: -121.028 bonds (distance) P-C4' energy: -119.785 flat angles C4'-P-C4' energy: -130.983 flat angles P-C4'-P energy: -94.685 tors. eta vs tors. theta energy: -160.354 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: 3, replica: 7 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1971.323093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.323093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.323093 (E_RNA) where: Base-Base interactions energy: -1358.808 where: short stacking energy: -594.641 Base-Backbone interact. energy: -2.388 local terms energy: -610.127700 where: bonds (distance) C4'-P energy: -119.802 bonds (distance) P-C4' energy: -123.939 flat angles C4'-P-C4' energy: -132.185 flat angles P-C4'-P energy: -76.414 tors. eta vs tors. theta energy: -157.787 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: 4, replica: 9 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1813.713314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.713314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.713314 (E_RNA) where: Base-Base interactions energy: -1242.045 where: short stacking energy: -558.587 Base-Backbone interact. energy: -4.108 local terms energy: -567.560559 where: bonds (distance) C4'-P energy: -119.547 bonds (distance) P-C4' energy: -111.866 flat angles C4'-P-C4' energy: -114.463 flat angles P-C4'-P energy: -72.507 tors. eta vs tors. theta energy: -149.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1620.203510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.203510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.203510 (E_RNA) where: Base-Base interactions energy: -1108.504 where: short stacking energy: -475.814 Base-Backbone interact. energy: 1.124 local terms energy: -512.823635 where: bonds (distance) C4'-P energy: -102.182 bonds (distance) P-C4' energy: -106.798 flat angles C4'-P-C4' energy: -126.412 flat angles P-C4'-P energy: -65.006 tors. eta vs tors. theta energy: -112.426 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: 6, replica: 1 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1542.058704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.058704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.058704 (E_RNA) where: Base-Base interactions energy: -1021.350 where: short stacking energy: -468.420 Base-Backbone interact. energy: -1.248 local terms energy: -519.460121 where: bonds (distance) C4'-P energy: -117.632 bonds (distance) P-C4' energy: -109.846 flat angles C4'-P-C4' energy: -116.011 flat angles P-C4'-P energy: -70.011 tors. eta vs tors. theta energy: -105.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1186.478024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.478024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.478024 (E_RNA) where: Base-Base interactions energy: -723.398 where: short stacking energy: -363.133 Base-Backbone interact. energy: -1.123 local terms energy: -461.957599 where: bonds (distance) C4'-P energy: -103.845 bonds (distance) P-C4' energy: -99.123 flat angles C4'-P-C4' energy: -111.302 flat angles P-C4'-P energy: -75.171 tors. eta vs tors. theta energy: -72.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1227.353515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.353515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.353515 (E_RNA) where: Base-Base interactions energy: -775.265 where: short stacking energy: -375.322 Base-Backbone interact. energy: 0.301 local terms energy: -452.389080 where: bonds (distance) C4'-P energy: -85.480 bonds (distance) P-C4' energy: -109.608 flat angles C4'-P-C4' energy: -118.256 flat angles P-C4'-P energy: -67.704 tors. eta vs tors. theta energy: -71.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -831.316441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.316441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.316441 (E_RNA) where: Base-Base interactions energy: -440.034 where: short stacking energy: -258.525 Base-Backbone interact. energy: -0.261 local terms energy: -391.021496 where: bonds (distance) C4'-P energy: -86.814 bonds (distance) P-C4' energy: -117.761 flat angles C4'-P-C4' energy: -100.241 flat angles P-C4'-P energy: -74.479 tors. eta vs tors. theta energy: -11.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -548.819691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.819691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.819691 (E_RNA) where: Base-Base interactions energy: -216.993 where: short stacking energy: -162.730 Base-Backbone interact. energy: -2.841 local terms energy: -328.986141 where: bonds (distance) C4'-P energy: -95.136 bonds (distance) P-C4' energy: -120.607 flat angles C4'-P-C4' energy: -94.576 flat angles P-C4'-P energy: -45.865 tors. eta vs tors. theta energy: 27.197 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: 3 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2058.788736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.788736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.788736 (E_RNA) where: Base-Base interactions energy: -1413.699 where: short stacking energy: -624.722 Base-Backbone interact. energy: -1.180 local terms energy: -643.909832 where: bonds (distance) C4'-P energy: -125.154 bonds (distance) P-C4' energy: -126.772 flat angles C4'-P-C4' energy: -133.329 flat angles P-C4'-P energy: -89.987 tors. eta vs tors. theta energy: -168.667 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: 2, replica: 5 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2000.535948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.535948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.535948 (E_RNA) where: Base-Base interactions energy: -1379.276 where: short stacking energy: -591.448 Base-Backbone interact. energy: 3.142 local terms energy: -624.401769 where: bonds (distance) C4'-P energy: -122.969 bonds (distance) P-C4' energy: -124.446 flat angles C4'-P-C4' energy: -132.061 flat angles P-C4'-P energy: -84.028 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: 3, replica: 7 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1969.551312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.551312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.551312 (E_RNA) where: Base-Base interactions energy: -1359.489 where: short stacking energy: -575.428 Base-Backbone interact. energy: -2.609 local terms energy: -607.454036 where: bonds (distance) C4'-P energy: -123.002 bonds (distance) P-C4' energy: -111.505 flat angles C4'-P-C4' energy: -132.761 flat angles P-C4'-P energy: -86.527 tors. eta vs tors. theta energy: -153.660 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: 9 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1796.575297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.575297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.575297 (E_RNA) where: Base-Base interactions energy: -1218.216 where: short stacking energy: -539.728 Base-Backbone interact. energy: 3.361 local terms energy: -581.720458 where: bonds (distance) C4'-P energy: -113.134 bonds (distance) P-C4' energy: -104.363 flat angles C4'-P-C4' energy: -130.596 flat angles P-C4'-P energy: -77.528 tors. eta vs tors. theta energy: -156.100 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: 8 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1722.637755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.637755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.637755 (E_RNA) where: Base-Base interactions energy: -1125.599 where: short stacking energy: -488.836 Base-Backbone interact. energy: -5.045 local terms energy: -591.994435 where: bonds (distance) C4'-P energy: -123.357 bonds (distance) P-C4' energy: -121.786 flat angles C4'-P-C4' energy: -130.548 flat angles P-C4'-P energy: -84.975 tors. eta vs tors. theta energy: -131.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1444.536910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.536910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.536910 (E_RNA) where: Base-Base interactions energy: -955.049 where: short stacking energy: -434.577 Base-Backbone interact. energy: 1.244 local terms energy: -490.731978 where: bonds (distance) C4'-P energy: -108.021 bonds (distance) P-C4' energy: -94.605 flat angles C4'-P-C4' energy: -127.691 flat angles P-C4'-P energy: -54.177 tors. eta vs tors. theta energy: -106.239 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: 69 Temperature: 1.200000 Total energy: -1230.373224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.373224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.373224 (E_RNA) where: Base-Base interactions energy: -778.225 where: short stacking energy: -370.117 Base-Backbone interact. energy: 1.365 local terms energy: -453.513311 where: bonds (distance) C4'-P energy: -89.618 bonds (distance) P-C4' energy: -100.410 flat angles C4'-P-C4' energy: -114.867 flat angles P-C4'-P energy: -67.530 tors. eta vs tors. theta energy: -81.088 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: 2 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1220.011097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.011097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.011097 (E_RNA) where: Base-Base interactions energy: -776.965 where: short stacking energy: -395.477 Base-Backbone interact. energy: 0.894 local terms energy: -443.940664 where: bonds (distance) C4'-P energy: -95.568 bonds (distance) P-C4' energy: -86.087 flat angles C4'-P-C4' energy: -105.041 flat angles P-C4'-P energy: -69.758 tors. eta vs tors. theta energy: -87.486 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: 9, replica: 6 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -782.371343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.371343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.371343 (E_RNA) where: Base-Base interactions energy: -435.714 where: short stacking energy: -211.664 Base-Backbone interact. energy: -2.398 local terms energy: -344.259219 where: bonds (distance) C4'-P energy: -111.581 bonds (distance) P-C4' energy: -98.582 flat angles C4'-P-C4' energy: -91.091 flat angles P-C4'-P energy: -38.177 tors. eta vs tors. theta energy: -4.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -540.384675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.384675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.384675 (E_RNA) where: Base-Base interactions energy: -237.256 where: short stacking energy: -152.317 Base-Backbone interact. energy: 2.016 local terms energy: -305.145256 where: bonds (distance) C4'-P energy: -88.257 bonds (distance) P-C4' energy: -102.837 flat angles C4'-P-C4' energy: -82.254 flat angles P-C4'-P energy: -38.617 tors. eta vs tors. theta energy: 6.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2051.160871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.160871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.160871 (E_RNA) where: Base-Base interactions energy: -1408.427 where: short stacking energy: -627.070 Base-Backbone interact. energy: -0.507 local terms energy: -642.226615 where: bonds (distance) C4'-P energy: -130.791 bonds (distance) P-C4' energy: -121.247 flat angles C4'-P-C4' energy: -134.982 flat angles P-C4'-P energy: -88.195 tors. eta vs tors. theta energy: -167.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2028.999565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.999565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.999565 (E_RNA) where: Base-Base interactions energy: -1429.685 where: short stacking energy: -602.471 Base-Backbone interact. energy: -4.726 local terms energy: -594.588476 where: bonds (distance) C4'-P energy: -120.454 bonds (distance) P-C4' energy: -107.918 flat angles C4'-P-C4' energy: -135.679 flat angles P-C4'-P energy: -83.298 tors. eta vs tors. theta energy: -147.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1958.416243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.416243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.416243 (E_RNA) where: Base-Base interactions energy: -1372.009 where: short stacking energy: -600.911 Base-Backbone interact. energy: -1.428 local terms energy: -584.979529 where: bonds (distance) C4'-P energy: -97.977 bonds (distance) P-C4' energy: -112.891 flat angles C4'-P-C4' energy: -132.205 flat angles P-C4'-P energy: -82.119 tors. eta vs tors. theta energy: -159.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1821.416358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.416358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.416358 (E_RNA) where: Base-Base interactions energy: -1230.128 where: short stacking energy: -543.927 Base-Backbone interact. energy: -3.392 local terms energy: -587.896404 where: bonds (distance) C4'-P energy: -116.947 bonds (distance) P-C4' energy: -106.153 flat angles C4'-P-C4' energy: -127.771 flat angles P-C4'-P energy: -88.385 tors. eta vs tors. theta energy: -148.640 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: 5, replica: 8 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1718.919054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.919054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.919054 (E_RNA) where: Base-Base interactions energy: -1184.378 where: short stacking energy: -530.925 Base-Backbone interact. energy: -3.481 local terms energy: -531.060086 where: bonds (distance) C4'-P energy: -118.001 bonds (distance) P-C4' energy: -95.820 flat angles C4'-P-C4' energy: -128.168 flat angles P-C4'-P energy: -71.868 tors. eta vs tors. theta energy: -117.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1492.562400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.562400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.562400 (E_RNA) where: Base-Base interactions energy: -969.103 where: short stacking energy: -437.268 Base-Backbone interact. energy: 1.101 local terms energy: -524.560409 where: bonds (distance) C4'-P energy: -123.909 bonds (distance) P-C4' energy: -112.166 flat angles C4'-P-C4' energy: -115.253 flat angles P-C4'-P energy: -69.021 tors. eta vs tors. theta energy: -104.212 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: 10 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1241.033162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.033162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.033162 (E_RNA) where: Base-Base interactions energy: -795.113 where: short stacking energy: -376.072 Base-Backbone interact. energy: 4.307 local terms energy: -450.227493 where: bonds (distance) C4'-P energy: -96.656 bonds (distance) P-C4' energy: -122.485 flat angles C4'-P-C4' energy: -101.204 flat angles P-C4'-P energy: -46.115 tors. eta vs tors. theta energy: -83.768 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: 2 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1161.942995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.942995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.942995 (E_RNA) where: Base-Base interactions energy: -703.814 where: short stacking energy: -328.502 Base-Backbone interact. energy: 1.142 local terms energy: -459.271247 where: bonds (distance) C4'-P energy: -112.141 bonds (distance) P-C4' energy: -109.396 flat angles C4'-P-C4' energy: -111.105 flat angles P-C4'-P energy: -66.951 tors. eta vs tors. theta energy: -59.679 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: 6 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -746.254470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.254470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.254470 (E_RNA) where: Base-Base interactions energy: -391.520 where: short stacking energy: -228.607 Base-Backbone interact. energy: -3.007 local terms energy: -351.727281 where: bonds (distance) C4'-P energy: -115.331 bonds (distance) P-C4' energy: -90.234 flat angles C4'-P-C4' energy: -87.728 flat angles P-C4'-P energy: -50.087 tors. eta vs tors. theta energy: -8.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -588.500258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.500258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.500258 (E_RNA) where: Base-Base interactions energy: -259.952 where: short stacking energy: -160.872 Base-Backbone interact. energy: 5.576 local terms energy: -334.124267 where: bonds (distance) C4'-P energy: -104.300 bonds (distance) P-C4' energy: -111.104 flat angles C4'-P-C4' energy: -85.462 flat angles P-C4'-P energy: -33.896 tors. eta vs tors. theta energy: 0.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2054.829236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.829236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.829236 (E_RNA) where: Base-Base interactions energy: -1384.998 where: short stacking energy: -618.460 Base-Backbone interact. energy: -1.341 local terms energy: -668.489798 where: bonds (distance) C4'-P energy: -130.501 bonds (distance) P-C4' energy: -127.760 flat angles C4'-P-C4' energy: -126.762 flat angles P-C4'-P energy: -102.286 tors. eta vs tors. theta energy: -181.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2038.963652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.963652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.963652 (E_RNA) where: Base-Base interactions energy: -1427.245 where: short stacking energy: -611.606 Base-Backbone interact. energy: -1.908 local terms energy: -609.810256 where: bonds (distance) C4'-P energy: -109.723 bonds (distance) P-C4' energy: -114.696 flat angles C4'-P-C4' energy: -136.119 flat angles P-C4'-P energy: -75.613 tors. eta vs tors. theta energy: -173.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1964.605669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.605669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.605669 (E_RNA) where: Base-Base interactions energy: -1366.359 where: short stacking energy: -594.334 Base-Backbone interact. energy: -0.939 local terms energy: -597.307284 where: bonds (distance) C4'-P energy: -108.336 bonds (distance) P-C4' energy: -114.418 flat angles C4'-P-C4' energy: -136.533 flat angles P-C4'-P energy: -81.818 tors. eta vs tors. theta energy: -156.202 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: 4, replica: 9 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1795.091618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.091618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.091618 (E_RNA) where: Base-Base interactions energy: -1198.212 where: short stacking energy: -539.974 Base-Backbone interact. energy: -1.636 local terms energy: -595.243793 where: bonds (distance) C4'-P energy: -126.773 bonds (distance) P-C4' energy: -124.794 flat angles C4'-P-C4' energy: -114.879 flat angles P-C4'-P energy: -86.643 tors. eta vs tors. theta energy: -142.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1715.802622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.802622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.802622 (E_RNA) where: Base-Base interactions energy: -1142.908 where: short stacking energy: -519.859 Base-Backbone interact. energy: -2.096 local terms energy: -570.798478 where: bonds (distance) C4'-P energy: -111.937 bonds (distance) P-C4' energy: -123.841 flat angles C4'-P-C4' energy: -124.626 flat angles P-C4'-P energy: -81.279 tors. eta vs tors. theta energy: -129.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1425.496105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.496105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.496105 (E_RNA) where: Base-Base interactions energy: -911.957 where: short stacking energy: -433.952 Base-Backbone interact. energy: -2.347 local terms energy: -511.192023 where: bonds (distance) C4'-P energy: -102.709 bonds (distance) P-C4' energy: -110.230 flat angles C4'-P-C4' energy: -116.531 flat angles P-C4'-P energy: -83.867 tors. eta vs tors. theta energy: -97.855 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: 10 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1261.591755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.591755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.591755 (E_RNA) where: Base-Base interactions energy: -758.344 where: short stacking energy: -351.051 Base-Backbone interact. energy: -1.023 local terms energy: -502.224988 where: bonds (distance) C4'-P energy: -125.837 bonds (distance) P-C4' energy: -120.494 flat angles C4'-P-C4' energy: -115.309 flat angles P-C4'-P energy: -70.582 tors. eta vs tors. theta energy: -70.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1251.899445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.899445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.899445 (E_RNA) where: Base-Base interactions energy: -790.006 where: short stacking energy: -351.052 Base-Backbone interact. energy: -0.236 local terms energy: -461.657315 where: bonds (distance) C4'-P energy: -104.255 bonds (distance) P-C4' energy: -115.063 flat angles C4'-P-C4' energy: -113.380 flat angles P-C4'-P energy: -50.862 tors. eta vs tors. theta energy: -78.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -801.664722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.664722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.664722 (E_RNA) where: Base-Base interactions energy: -452.564 where: short stacking energy: -242.398 Base-Backbone interact. energy: 1.669 local terms energy: -350.770166 where: bonds (distance) C4'-P energy: -97.074 bonds (distance) P-C4' energy: -93.968 flat angles C4'-P-C4' energy: -103.843 flat angles P-C4'-P energy: -42.547 tors. eta vs tors. theta energy: -13.337 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: 10, replica: 4 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -596.816386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.816386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.816386 (E_RNA) where: Base-Base interactions energy: -275.704 where: short stacking energy: -198.229 Base-Backbone interact. energy: 4.226 local terms energy: -325.338011 where: bonds (distance) C4'-P energy: -93.088 bonds (distance) P-C4' energy: -98.593 flat angles C4'-P-C4' energy: -81.624 flat angles P-C4'-P energy: -63.221 tors. eta vs tors. theta energy: 11.188 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: 1, replica: 3 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2047.356050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.356050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.356050 (E_RNA) where: Base-Base interactions energy: -1403.817 where: short stacking energy: -629.802 Base-Backbone interact. energy: 1.082 local terms energy: -644.620626 where: bonds (distance) C4'-P energy: -115.563 bonds (distance) P-C4' energy: -125.006 flat angles C4'-P-C4' energy: -133.145 flat angles P-C4'-P energy: -98.127 tors. eta vs tors. theta energy: -172.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2041.638384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.638384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.638384 (E_RNA) where: Base-Base interactions energy: -1410.555 where: short stacking energy: -594.756 Base-Backbone interact. energy: -2.927 local terms energy: -628.156446 where: bonds (distance) C4'-P energy: -122.118 bonds (distance) P-C4' energy: -117.863 flat angles C4'-P-C4' energy: -132.169 flat angles P-C4'-P energy: -99.887 tors. eta vs tors. theta energy: -156.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1953.469842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.469842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.469842 (E_RNA) where: Base-Base interactions energy: -1334.168 where: short stacking energy: -567.915 Base-Backbone interact. energy: -1.585 local terms energy: -617.717350 where: bonds (distance) C4'-P energy: -113.120 bonds (distance) P-C4' energy: -125.698 flat angles C4'-P-C4' energy: -141.634 flat angles P-C4'-P energy: -86.828 tors. eta vs tors. theta energy: -150.437 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: 9 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1775.131462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.131462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.131462 (E_RNA) where: Base-Base interactions energy: -1178.371 where: short stacking energy: -521.281 Base-Backbone interact. energy: 0.244 local terms energy: -597.004496 where: bonds (distance) C4'-P energy: -124.143 bonds (distance) P-C4' energy: -120.207 flat angles C4'-P-C4' energy: -126.899 flat angles P-C4'-P energy: -84.744 tors. eta vs tors. theta energy: -141.012 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: 8 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1687.331897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.331897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.331897 (E_RNA) where: Base-Base interactions energy: -1148.526 where: short stacking energy: -523.601 Base-Backbone interact. energy: -1.671 local terms energy: -537.134388 where: bonds (distance) C4'-P energy: -126.510 bonds (distance) P-C4' energy: -105.640 flat angles C4'-P-C4' energy: -109.355 flat angles P-C4'-P energy: -74.670 tors. eta vs tors. theta energy: -120.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1480.148450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.148450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.148450 (E_RNA) where: Base-Base interactions energy: -958.786 where: short stacking energy: -455.972 Base-Backbone interact. energy: -1.986 local terms energy: -519.376192 where: bonds (distance) C4'-P energy: -110.387 bonds (distance) P-C4' energy: -100.654 flat angles C4'-P-C4' energy: -114.497 flat angles P-C4'-P energy: -85.599 tors. eta vs tors. theta energy: -108.239 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: 72 Temperature: 1.200000 Total energy: -1288.934670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.934670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.934670 (E_RNA) where: Base-Base interactions energy: -794.439 where: short stacking energy: -398.625 Base-Backbone interact. energy: 0.041 local terms energy: -494.536993 where: bonds (distance) C4'-P energy: -105.328 bonds (distance) P-C4' energy: -113.502 flat angles C4'-P-C4' energy: -120.042 flat angles P-C4'-P energy: -61.787 tors. eta vs tors. theta energy: -93.878 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: 2 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1342.953772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.953772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.953772 (E_RNA) where: Base-Base interactions energy: -879.462 where: short stacking energy: -396.570 Base-Backbone interact. energy: 0.972 local terms energy: -464.463050 where: bonds (distance) C4'-P energy: -95.031 bonds (distance) P-C4' energy: -92.914 flat angles C4'-P-C4' energy: -115.440 flat angles P-C4'-P energy: -64.785 tors. eta vs tors. theta energy: -96.292 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: 9, replica: 6 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -788.093836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.093836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.093836 (E_RNA) where: Base-Base interactions energy: -407.121 where: short stacking energy: -239.780 Base-Backbone interact. energy: 0.356 local terms energy: -381.327995 where: bonds (distance) C4'-P energy: -96.685 bonds (distance) P-C4' energy: -106.069 flat angles C4'-P-C4' energy: -88.766 flat angles P-C4'-P energy: -70.087 tors. eta vs tors. theta energy: -19.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -680.864893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.864893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.864893 (E_RNA) where: Base-Base interactions energy: -329.463 where: short stacking energy: -204.915 Base-Backbone interact. energy: 0.901 local terms energy: -352.303139 where: bonds (distance) C4'-P energy: -101.489 bonds (distance) P-C4' energy: -99.709 flat angles C4'-P-C4' energy: -80.957 flat angles P-C4'-P energy: -59.446 tors. eta vs tors. theta energy: -10.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2052.415674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.415674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.415674 (E_RNA) where: Base-Base interactions energy: -1407.291 where: short stacking energy: -617.488 Base-Backbone interact. energy: -1.381 local terms energy: -643.743477 where: bonds (distance) C4'-P energy: -116.228 bonds (distance) P-C4' energy: -133.764 flat angles C4'-P-C4' energy: -129.841 flat angles P-C4'-P energy: -84.803 tors. eta vs tors. theta energy: -179.108 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: 5 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2022.219887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.219887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.219887 (E_RNA) where: Base-Base interactions energy: -1387.968 where: short stacking energy: -570.425 Base-Backbone interact. energy: -3.898 local terms energy: -630.353886 where: bonds (distance) C4'-P energy: -119.994 bonds (distance) P-C4' energy: -124.990 flat angles C4'-P-C4' energy: -132.145 flat angles P-C4'-P energy: -95.977 tors. eta vs tors. theta energy: -157.248 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: 3, replica: 7 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1953.456789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.456789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.456789 (E_RNA) where: Base-Base interactions energy: -1321.594 where: short stacking energy: -577.925 Base-Backbone interact. energy: -2.032 local terms energy: -629.830560 where: bonds (distance) C4'-P energy: -127.236 bonds (distance) P-C4' energy: -114.512 flat angles C4'-P-C4' energy: -147.668 flat angles P-C4'-P energy: -80.269 tors. eta vs tors. theta energy: -160.145 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: 9 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1773.460643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.460643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.460643 (E_RNA) where: Base-Base interactions energy: -1208.102 where: short stacking energy: -545.181 Base-Backbone interact. energy: 4.008 local terms energy: -569.366085 where: bonds (distance) C4'-P energy: -101.401 bonds (distance) P-C4' energy: -115.486 flat angles C4'-P-C4' energy: -130.792 flat angles P-C4'-P energy: -81.390 tors. eta vs tors. theta energy: -140.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1670.181652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.181652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.181652 (E_RNA) where: Base-Base interactions energy: -1153.598 where: short stacking energy: -505.322 Base-Backbone interact. energy: -2.817 local terms energy: -513.766910 where: bonds (distance) C4'-P energy: -95.427 bonds (distance) P-C4' energy: -117.020 flat angles C4'-P-C4' energy: -116.727 flat angles P-C4'-P energy: -61.688 tors. eta vs tors. theta energy: -122.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1423.063068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.063068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.063068 (E_RNA) where: Base-Base interactions energy: -908.346 where: short stacking energy: -393.117 Base-Backbone interact. energy: -3.719 local terms energy: -510.997465 where: bonds (distance) C4'-P energy: -116.045 bonds (distance) P-C4' energy: -110.735 flat angles C4'-P-C4' energy: -119.527 flat angles P-C4'-P energy: -71.280 tors. eta vs tors. theta energy: -93.410 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: 73 Temperature: 1.200000 Total energy: -1382.510092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.510092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.510092 (E_RNA) where: Base-Base interactions energy: -905.457 where: short stacking energy: -414.186 Base-Backbone interact. energy: 0.561 local terms energy: -477.614443 where: bonds (distance) C4'-P energy: -98.711 bonds (distance) P-C4' energy: -110.202 flat angles C4'-P-C4' energy: -121.187 flat angles P-C4'-P energy: -58.654 tors. eta vs tors. theta energy: -88.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1326.177472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.177472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.177472 (E_RNA) where: Base-Base interactions energy: -849.161 where: short stacking energy: -365.365 Base-Backbone interact. energy: -3.362 local terms energy: -473.654329 where: bonds (distance) C4'-P energy: -101.436 bonds (distance) P-C4' energy: -120.746 flat angles C4'-P-C4' energy: -109.023 flat angles P-C4'-P energy: -60.423 tors. eta vs tors. theta energy: -82.027 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: 6 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -777.828205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.828205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.828205 (E_RNA) where: Base-Base interactions energy: -415.285 where: short stacking energy: -224.714 Base-Backbone interact. energy: 0.728 local terms energy: -363.271392 where: bonds (distance) C4'-P energy: -88.527 bonds (distance) P-C4' energy: -118.022 flat angles C4'-P-C4' energy: -95.318 flat angles P-C4'-P energy: -48.446 tors. eta vs tors. theta energy: -12.958 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: 4 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -578.255712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.255712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.255712 (E_RNA) where: Base-Base interactions energy: -269.322 where: short stacking energy: -187.463 Base-Backbone interact. energy: -3.132 local terms energy: -305.801346 where: bonds (distance) C4'-P energy: -79.136 bonds (distance) P-C4' energy: -100.541 flat angles C4'-P-C4' energy: -95.041 flat angles P-C4'-P energy: -46.022 tors. eta vs tors. theta energy: 14.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2092.809319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.809319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.809319 (E_RNA) where: Base-Base interactions energy: -1425.090 where: short stacking energy: -624.827 Base-Backbone interact. energy: -2.471 local terms energy: -665.247983 where: bonds (distance) C4'-P energy: -115.863 bonds (distance) P-C4' energy: -138.459 flat angles C4'-P-C4' energy: -146.274 flat angles P-C4'-P energy: -78.107 tors. eta vs tors. theta energy: -186.545 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: 5 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2040.853492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.853492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.853492 (E_RNA) where: Base-Base interactions energy: -1410.934 where: short stacking energy: -594.709 Base-Backbone interact. energy: -3.566 local terms energy: -626.352834 where: bonds (distance) C4'-P energy: -119.899 bonds (distance) P-C4' energy: -117.817 flat angles C4'-P-C4' energy: -135.895 flat angles P-C4'-P energy: -86.488 tors. eta vs tors. theta energy: -166.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1960.274678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.274678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.274678 (E_RNA) where: Base-Base interactions energy: -1360.356 where: short stacking energy: -604.228 Base-Backbone interact. energy: -1.365 local terms energy: -598.553605 where: bonds (distance) C4'-P energy: -93.171 bonds (distance) P-C4' energy: -122.718 flat angles C4'-P-C4' energy: -125.833 flat angles P-C4'-P energy: -92.039 tors. eta vs tors. theta energy: -164.792 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: 4, replica: 9 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1777.007913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.007913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.007913 (E_RNA) where: Base-Base interactions energy: -1208.512 where: short stacking energy: -553.909 Base-Backbone interact. energy: 0.576 local terms energy: -569.071349 where: bonds (distance) C4'-P energy: -116.569 bonds (distance) P-C4' energy: -103.282 flat angles C4'-P-C4' energy: -121.440 flat angles P-C4'-P energy: -70.969 tors. eta vs tors. theta energy: -156.812 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: 5, replica: 8 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1645.596075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.596075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.596075 (E_RNA) where: Base-Base interactions energy: -1124.056 where: short stacking energy: -494.141 Base-Backbone interact. energy: 4.725 local terms energy: -526.264711 where: bonds (distance) C4'-P energy: -110.997 bonds (distance) P-C4' energy: -98.591 flat angles C4'-P-C4' energy: -113.531 flat angles P-C4'-P energy: -76.896 tors. eta vs tors. theta energy: -126.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1429.652989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.652989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.652989 (E_RNA) where: Base-Base interactions energy: -924.098 where: short stacking energy: -439.464 Base-Backbone interact. energy: -0.509 local terms energy: -505.046071 where: bonds (distance) C4'-P energy: -115.441 bonds (distance) P-C4' energy: -99.281 flat angles C4'-P-C4' energy: -114.202 flat angles P-C4'-P energy: -81.703 tors. eta vs tors. theta energy: -94.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1434.087812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.087812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.087812 (E_RNA) where: Base-Base interactions energy: -944.992 where: short stacking energy: -410.647 Base-Backbone interact. energy: -2.054 local terms energy: -487.042295 where: bonds (distance) C4'-P energy: -104.575 bonds (distance) P-C4' energy: -121.854 flat angles C4'-P-C4' energy: -117.802 flat angles P-C4'-P energy: -57.015 tors. eta vs tors. theta energy: -85.796 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: 8, replica: 10 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1273.052713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.052713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.052713 (E_RNA) where: Base-Base interactions energy: -811.380 where: short stacking energy: -395.702 Base-Backbone interact. energy: 0.608 local terms energy: -462.281040 where: bonds (distance) C4'-P energy: -100.391 bonds (distance) P-C4' energy: -113.507 flat angles C4'-P-C4' energy: -106.165 flat angles P-C4'-P energy: -54.336 tors. eta vs tors. theta energy: -87.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -849.326355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.326355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.326355 (E_RNA) where: Base-Base interactions energy: -495.706 where: short stacking energy: -253.829 Base-Backbone interact. energy: -3.226 local terms energy: -350.395061 where: bonds (distance) C4'-P energy: -91.762 bonds (distance) P-C4' energy: -100.021 flat angles C4'-P-C4' energy: -81.364 flat angles P-C4'-P energy: -59.996 tors. eta vs tors. theta energy: -17.252 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: 10, replica: 4 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -560.172676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.172676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.172676 (E_RNA) where: Base-Base interactions energy: -242.379 where: short stacking energy: -170.127 Base-Backbone interact. energy: 1.685 local terms energy: -319.478460 where: bonds (distance) C4'-P energy: -91.723 bonds (distance) P-C4' energy: -97.394 flat angles C4'-P-C4' energy: -79.558 flat angles P-C4'-P energy: -49.344 tors. eta vs tors. theta energy: -1.459 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: 1, replica: 3 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2056.934703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.934703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.934703 (E_RNA) where: Base-Base interactions energy: -1423.994 where: short stacking energy: -631.659 Base-Backbone interact. energy: -2.010 local terms energy: -630.930418 where: bonds (distance) C4'-P energy: -115.086 bonds (distance) P-C4' energy: -121.000 flat angles C4'-P-C4' energy: -135.761 flat angles P-C4'-P energy: -74.923 tors. eta vs tors. theta energy: -184.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2044.924324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.924324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.924324 (E_RNA) where: Base-Base interactions energy: -1416.686 where: short stacking energy: -611.676 Base-Backbone interact. energy: -1.968 local terms energy: -626.270789 where: bonds (distance) C4'-P energy: -114.595 bonds (distance) P-C4' energy: -126.478 flat angles C4'-P-C4' energy: -129.910 flat angles P-C4'-P energy: -86.174 tors. eta vs tors. theta energy: -169.114 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: 5 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1981.112013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.112013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.112013 (E_RNA) where: Base-Base interactions energy: -1396.564 where: short stacking energy: -573.590 Base-Backbone interact. energy: -1.823 local terms energy: -582.725081 where: bonds (distance) C4'-P energy: -89.545 bonds (distance) P-C4' energy: -126.796 flat angles C4'-P-C4' energy: -124.529 flat angles P-C4'-P energy: -78.610 tors. eta vs tors. theta energy: -163.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1766.836414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.836414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.836414 (E_RNA) where: Base-Base interactions energy: -1153.126 where: short stacking energy: -545.542 Base-Backbone interact. energy: 0.731 local terms energy: -614.441866 where: bonds (distance) C4'-P energy: -115.958 bonds (distance) P-C4' energy: -118.583 flat angles C4'-P-C4' energy: -133.066 flat angles P-C4'-P energy: -89.290 tors. eta vs tors. theta energy: -157.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1727.341141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.341141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.341141 (E_RNA) where: Base-Base interactions energy: -1202.286 where: short stacking energy: -516.888 Base-Backbone interact. energy: -2.150 local terms energy: -522.904837 where: bonds (distance) C4'-P energy: -112.243 bonds (distance) P-C4' energy: -106.589 flat angles C4'-P-C4' energy: -122.468 flat angles P-C4'-P energy: -72.888 tors. eta vs tors. theta energy: -108.717 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: 6, replica: 2 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1589.451351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.451351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.451351 (E_RNA) where: Base-Base interactions energy: -1073.741 where: short stacking energy: -505.587 Base-Backbone interact. energy: -2.002 local terms energy: -513.708644 where: bonds (distance) C4'-P energy: -90.970 bonds (distance) P-C4' energy: -94.070 flat angles C4'-P-C4' energy: -113.153 flat angles P-C4'-P energy: -80.114 tors. eta vs tors. theta energy: -135.402 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: 7, replica: 1 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1302.071997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.071997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.071997 (E_RNA) where: Base-Base interactions energy: -835.481 where: short stacking energy: -400.093 Base-Backbone interact. energy: -2.870 local terms energy: -463.720871 where: bonds (distance) C4'-P energy: -105.475 bonds (distance) P-C4' energy: -97.337 flat angles C4'-P-C4' energy: -106.661 flat angles P-C4'-P energy: -70.518 tors. eta vs tors. theta energy: -83.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1199.431130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.431130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.431130 (E_RNA) where: Base-Base interactions energy: -736.265 where: short stacking energy: -352.121 Base-Backbone interact. energy: -1.056 local terms energy: -462.109849 where: bonds (distance) C4'-P energy: -107.627 bonds (distance) P-C4' energy: -102.896 flat angles C4'-P-C4' energy: -93.384 flat angles P-C4'-P energy: -69.975 tors. eta vs tors. theta energy: -88.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -888.258166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.258166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.258166 (E_RNA) where: Base-Base interactions energy: -467.726 where: short stacking energy: -239.252 Base-Backbone interact. energy: -1.874 local terms energy: -418.657658 where: bonds (distance) C4'-P energy: -113.766 bonds (distance) P-C4' energy: -116.120 flat angles C4'-P-C4' energy: -99.337 flat angles P-C4'-P energy: -57.161 tors. eta vs tors. theta energy: -32.273 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: 4 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -519.200328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.200328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.200328 (E_RNA) where: Base-Base interactions energy: -205.118 where: short stacking energy: -161.866 Base-Backbone interact. energy: 3.782 local terms energy: -317.863996 where: bonds (distance) C4'-P energy: -83.162 bonds (distance) P-C4' energy: -95.884 flat angles C4'-P-C4' energy: -84.634 flat angles P-C4'-P energy: -59.333 tors. eta vs tors. theta energy: 5.149 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: 7 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2073.465295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.465295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.465295 (E_RNA) where: Base-Base interactions energy: -1409.440 where: short stacking energy: -605.328 Base-Backbone interact. energy: -3.068 local terms energy: -660.957026 where: bonds (distance) C4'-P energy: -124.993 bonds (distance) P-C4' energy: -128.089 flat angles C4'-P-C4' energy: -149.519 flat angles P-C4'-P energy: -89.312 tors. eta vs tors. theta energy: -169.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2001.775306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.775306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.775306 (E_RNA) where: Base-Base interactions energy: -1371.246 where: short stacking energy: -596.438 Base-Backbone interact. energy: -2.312 local terms energy: -628.217166 where: bonds (distance) C4'-P energy: -120.793 bonds (distance) P-C4' energy: -123.894 flat angles C4'-P-C4' energy: -127.157 flat angles P-C4'-P energy: -82.792 tors. eta vs tors. theta energy: -173.582 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: 3, replica: 5 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1977.565652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.565652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.565652 (E_RNA) where: Base-Base interactions energy: -1369.925 where: short stacking energy: -564.876 Base-Backbone interact. energy: -3.424 local terms energy: -604.216955 where: bonds (distance) C4'-P energy: -115.970 bonds (distance) P-C4' energy: -110.827 flat angles C4'-P-C4' energy: -140.370 flat angles P-C4'-P energy: -74.837 tors. eta vs tors. theta energy: -162.213 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: 4, replica: 9 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1751.331407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.331407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.331407 (E_RNA) where: Base-Base interactions energy: -1152.467 where: short stacking energy: -529.739 Base-Backbone interact. energy: -4.275 local terms energy: -594.588435 where: bonds (distance) C4'-P energy: -120.944 bonds (distance) P-C4' energy: -107.816 flat angles C4'-P-C4' energy: -121.927 flat angles P-C4'-P energy: -87.561 tors. eta vs tors. theta energy: -156.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1652.735610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.735610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.735610 (E_RNA) where: Base-Base interactions energy: -1103.527 where: short stacking energy: -501.388 Base-Backbone interact. energy: -3.730 local terms energy: -545.478592 where: bonds (distance) C4'-P energy: -116.428 bonds (distance) P-C4' energy: -96.099 flat angles C4'-P-C4' energy: -109.593 flat angles P-C4'-P energy: -77.021 tors. eta vs tors. theta energy: -146.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1632.027160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.027160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.027160 (E_RNA) where: Base-Base interactions energy: -1137.006 where: short stacking energy: -472.985 Base-Backbone interact. energy: -3.076 local terms energy: -491.945004 where: bonds (distance) C4'-P energy: -97.526 bonds (distance) P-C4' energy: -103.562 flat angles C4'-P-C4' energy: -117.074 flat angles P-C4'-P energy: -56.626 tors. eta vs tors. theta energy: -117.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1290.650499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.650499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.650499 (E_RNA) where: Base-Base interactions energy: -827.513 where: short stacking energy: -380.957 Base-Backbone interact. energy: -0.695 local terms energy: -462.442124 where: bonds (distance) C4'-P energy: -91.848 bonds (distance) P-C4' energy: -105.760 flat angles C4'-P-C4' energy: -113.143 flat angles P-C4'-P energy: -67.348 tors. eta vs tors. theta energy: -84.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1261.393131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.393131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.393131 (E_RNA) where: Base-Base interactions energy: -809.653 where: short stacking energy: -352.153 Base-Backbone interact. energy: 4.659 local terms energy: -456.399145 where: bonds (distance) C4'-P energy: -86.813 bonds (distance) P-C4' energy: -118.732 flat angles C4'-P-C4' energy: -108.317 flat angles P-C4'-P energy: -69.534 tors. eta vs tors. theta energy: -73.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -816.107229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.107229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.107229 (E_RNA) where: Base-Base interactions energy: -449.346 where: short stacking energy: -216.268 Base-Backbone interact. energy: 1.451 local terms energy: -368.211949 where: bonds (distance) C4'-P energy: -108.193 bonds (distance) P-C4' energy: -116.397 flat angles C4'-P-C4' energy: -87.163 flat angles P-C4'-P energy: -57.004 tors. eta vs tors. theta energy: 0.545 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: 10, replica: 4 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -514.482227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.482227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.482227 (E_RNA) where: Base-Base interactions energy: -180.450 where: short stacking energy: -141.332 Base-Backbone interact. energy: -2.151 local terms energy: -331.881752 where: bonds (distance) C4'-P energy: -104.698 bonds (distance) P-C4' energy: -120.946 flat angles C4'-P-C4' energy: -96.841 flat angles P-C4'-P energy: -41.229 tors. eta vs tors. theta energy: 31.833 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: 1, replica: 7 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2087.706030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.706030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.706030 (E_RNA) where: Base-Base interactions energy: -1450.395 where: short stacking energy: -634.466 Base-Backbone interact. energy: -2.498 local terms energy: -634.813268 where: bonds (distance) C4'-P energy: -116.214 bonds (distance) P-C4' energy: -138.735 flat angles C4'-P-C4' energy: -140.276 flat angles P-C4'-P energy: -75.907 tors. eta vs tors. theta energy: -163.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2026.675763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.675763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.675763 (E_RNA) where: Base-Base interactions energy: -1407.534 where: short stacking energy: -593.966 Base-Backbone interact. energy: -2.234 local terms energy: -616.907040 where: bonds (distance) C4'-P energy: -119.693 bonds (distance) P-C4' energy: -120.413 flat angles C4'-P-C4' energy: -136.018 flat angles P-C4'-P energy: -80.333 tors. eta vs tors. theta energy: -160.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1910.085259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.085259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.085259 (E_RNA) where: Base-Base interactions energy: -1296.760 where: short stacking energy: -585.079 Base-Backbone interact. energy: -0.970 local terms energy: -612.354635 where: bonds (distance) C4'-P energy: -117.331 bonds (distance) P-C4' energy: -112.332 flat angles C4'-P-C4' energy: -137.888 flat angles P-C4'-P energy: -89.428 tors. eta vs tors. theta energy: -155.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1760.996637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.996637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.996637 (E_RNA) where: Base-Base interactions energy: -1159.965 where: short stacking energy: -525.956 Base-Backbone interact. energy: -1.915 local terms energy: -599.116654 where: bonds (distance) C4'-P energy: -121.659 bonds (distance) P-C4' energy: -119.800 flat angles C4'-P-C4' energy: -121.419 flat angles P-C4'-P energy: -93.794 tors. eta vs tors. theta energy: -142.444 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: 2 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1714.223471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.223471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.223471 (E_RNA) where: Base-Base interactions energy: -1147.487 where: short stacking energy: -529.422 Base-Backbone interact. energy: -2.407 local terms energy: -564.329161 where: bonds (distance) C4'-P energy: -113.836 bonds (distance) P-C4' energy: -106.016 flat angles C4'-P-C4' energy: -129.117 flat angles P-C4'-P energy: -72.073 tors. eta vs tors. theta energy: -143.286 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: 6, replica: 8 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1572.303805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.303805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.303805 (E_RNA) where: Base-Base interactions energy: -1048.481 where: short stacking energy: -473.591 Base-Backbone interact. energy: -5.037 local terms energy: -518.785096 where: bonds (distance) C4'-P energy: -108.889 bonds (distance) P-C4' energy: -107.223 flat angles C4'-P-C4' energy: -109.943 flat angles P-C4'-P energy: -74.873 tors. eta vs tors. theta energy: -117.857 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: 1 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1333.938009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.938009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.938009 (E_RNA) where: Base-Base interactions energy: -859.291 where: short stacking energy: -382.680 Base-Backbone interact. energy: -2.691 local terms energy: -471.956812 where: bonds (distance) C4'-P energy: -100.531 bonds (distance) P-C4' energy: -101.234 flat angles C4'-P-C4' energy: -111.920 flat angles P-C4'-P energy: -77.891 tors. eta vs tors. theta energy: -80.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1227.853095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.853095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.853095 (E_RNA) where: Base-Base interactions energy: -783.127 where: short stacking energy: -346.298 Base-Backbone interact. energy: -0.980 local terms energy: -443.745681 where: bonds (distance) C4'-P energy: -99.607 bonds (distance) P-C4' energy: -104.774 flat angles C4'-P-C4' energy: -106.812 flat angles P-C4'-P energy: -60.779 tors. eta vs tors. theta energy: -71.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -766.314807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.314807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.314807 (E_RNA) where: Base-Base interactions energy: -394.743 where: short stacking energy: -216.805 Base-Backbone interact. energy: 0.905 local terms energy: -372.477121 where: bonds (distance) C4'-P energy: -99.123 bonds (distance) P-C4' energy: -114.877 flat angles C4'-P-C4' energy: -98.354 flat angles P-C4'-P energy: -57.474 tors. eta vs tors. theta energy: -2.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -479.907601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.907601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.907601 (E_RNA) where: Base-Base interactions energy: -168.480 where: short stacking energy: -138.214 Base-Backbone interact. energy: 10.573 local terms energy: -322.000525 where: bonds (distance) C4'-P energy: -97.929 bonds (distance) P-C4' energy: -109.187 flat angles C4'-P-C4' energy: -96.283 flat angles P-C4'-P energy: -29.135 tors. eta vs tors. theta energy: 10.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2096.505823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.505823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.505823 (E_RNA) where: Base-Base interactions energy: -1447.006 where: short stacking energy: -644.804 Base-Backbone interact. energy: -5.673 local terms energy: -643.827061 where: bonds (distance) C4'-P energy: -109.815 bonds (distance) P-C4' energy: -119.821 flat angles C4'-P-C4' energy: -153.783 flat angles P-C4'-P energy: -97.021 tors. eta vs tors. theta energy: -163.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2058.788337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.788337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.788337 (E_RNA) where: Base-Base interactions energy: -1444.240 where: short stacking energy: -618.561 Base-Backbone interact. energy: 0.732 local terms energy: -615.280543 where: bonds (distance) C4'-P energy: -109.434 bonds (distance) P-C4' energy: -131.086 flat angles C4'-P-C4' energy: -120.244 flat angles P-C4'-P energy: -94.114 tors. eta vs tors. theta energy: -160.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1914.637216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.637216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.637216 (E_RNA) where: Base-Base interactions energy: -1292.208 where: short stacking energy: -550.032 Base-Backbone interact. energy: -1.769 local terms energy: -620.660520 where: bonds (distance) C4'-P energy: -128.998 bonds (distance) P-C4' energy: -112.296 flat angles C4'-P-C4' energy: -130.457 flat angles P-C4'-P energy: -90.514 tors. eta vs tors. theta energy: -158.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1772.360528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.360528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.360528 (E_RNA) where: Base-Base interactions energy: -1165.509 where: short stacking energy: -547.297 Base-Backbone interact. energy: 0.394 local terms energy: -607.245230 where: bonds (distance) C4'-P energy: -114.631 bonds (distance) P-C4' energy: -131.513 flat angles C4'-P-C4' energy: -123.088 flat angles P-C4'-P energy: -90.690 tors. eta vs tors. theta energy: -147.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1700.027793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.027793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.027793 (E_RNA) where: Base-Base interactions energy: -1137.952 where: short stacking energy: -553.371 Base-Backbone interact. energy: -1.936 local terms energy: -560.140099 where: bonds (distance) C4'-P energy: -95.999 bonds (distance) P-C4' energy: -105.612 flat angles C4'-P-C4' energy: -131.637 flat angles P-C4'-P energy: -73.275 tors. eta vs tors. theta energy: -153.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1572.431109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.431109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.431109 (E_RNA) where: Base-Base interactions energy: -1062.998 where: short stacking energy: -440.140 Base-Backbone interact. energy: 0.744 local terms energy: -510.177677 where: bonds (distance) C4'-P energy: -118.791 bonds (distance) P-C4' energy: -106.964 flat angles C4'-P-C4' energy: -110.926 flat angles P-C4'-P energy: -71.535 tors. eta vs tors. theta energy: -101.962 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: 1 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1407.742818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.742818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.742818 (E_RNA) where: Base-Base interactions energy: -929.874 where: short stacking energy: -410.493 Base-Backbone interact. energy: 4.903 local terms energy: -482.771589 where: bonds (distance) C4'-P energy: -107.149 bonds (distance) P-C4' energy: -101.607 flat angles C4'-P-C4' energy: -116.501 flat angles P-C4'-P energy: -74.459 tors. eta vs tors. theta energy: -83.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1211.782302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.782302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.782302 (E_RNA) where: Base-Base interactions energy: -756.926 where: short stacking energy: -359.670 Base-Backbone interact. energy: -3.058 local terms energy: -451.798566 where: bonds (distance) C4'-P energy: -102.975 bonds (distance) P-C4' energy: -103.405 flat angles C4'-P-C4' energy: -97.372 flat angles P-C4'-P energy: -70.510 tors. eta vs tors. theta energy: -77.537 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: 9, replica: 6 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -773.826086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.826086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.826086 (E_RNA) where: Base-Base interactions energy: -425.664 where: short stacking energy: -234.348 Base-Backbone interact. energy: -3.182 local terms energy: -344.980282 where: bonds (distance) C4'-P energy: -96.915 bonds (distance) P-C4' energy: -107.315 flat angles C4'-P-C4' energy: -87.420 flat angles P-C4'-P energy: -45.363 tors. eta vs tors. theta energy: -7.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -493.668665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.668665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.668665 (E_RNA) where: Base-Base interactions energy: -163.766 where: short stacking energy: -143.907 Base-Backbone interact. energy: -0.444 local terms energy: -329.459352 where: bonds (distance) C4'-P energy: -90.110 bonds (distance) P-C4' energy: -95.669 flat angles C4'-P-C4' energy: -95.572 flat angles P-C4'-P energy: -52.019 tors. eta vs tors. theta energy: 3.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2075.499793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.499793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.499793 (E_RNA) where: Base-Base interactions energy: -1425.007 where: short stacking energy: -624.621 Base-Backbone interact. energy: -1.961 local terms energy: -648.531585 where: bonds (distance) C4'-P energy: -108.349 bonds (distance) P-C4' energy: -127.096 flat angles C4'-P-C4' energy: -150.791 flat angles P-C4'-P energy: -98.321 tors. eta vs tors. theta energy: -163.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2059.364244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.364244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.364244 (E_RNA) where: Base-Base interactions energy: -1463.655 where: short stacking energy: -601.832 Base-Backbone interact. energy: -1.516 local terms energy: -594.193693 where: bonds (distance) C4'-P energy: -104.471 bonds (distance) P-C4' energy: -119.135 flat angles C4'-P-C4' energy: -126.151 flat angles P-C4'-P energy: -83.008 tors. eta vs tors. theta energy: -161.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1869.769221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.769221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.769221 (E_RNA) where: Base-Base interactions energy: -1250.542 where: short stacking energy: -595.242 Base-Backbone interact. energy: -2.520 local terms energy: -616.706691 where: bonds (distance) C4'-P energy: -113.166 bonds (distance) P-C4' energy: -125.814 flat angles C4'-P-C4' energy: -131.168 flat angles P-C4'-P energy: -80.960 tors. eta vs tors. theta energy: -165.599 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: 2 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1768.273278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.273278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.273278 (E_RNA) where: Base-Base interactions energy: -1196.708 where: short stacking energy: -558.101 Base-Backbone interact. energy: 2.322 local terms energy: -573.888053 where: bonds (distance) C4'-P energy: -108.927 bonds (distance) P-C4' energy: -100.286 flat angles C4'-P-C4' energy: -127.292 flat angles P-C4'-P energy: -84.441 tors. eta vs tors. theta energy: -152.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1726.698189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.698189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.698189 (E_RNA) where: Base-Base interactions energy: -1162.341 where: short stacking energy: -516.402 Base-Backbone interact. energy: -2.446 local terms energy: -561.910810 where: bonds (distance) C4'-P energy: -100.588 bonds (distance) P-C4' energy: -118.615 flat angles C4'-P-C4' energy: -115.094 flat angles P-C4'-P energy: -79.142 tors. eta vs tors. theta energy: -148.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1534.574318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.574318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.574318 (E_RNA) where: Base-Base interactions energy: -1036.642 where: short stacking energy: -436.236 Base-Backbone interact. energy: 1.621 local terms energy: -499.553601 where: bonds (distance) C4'-P energy: -99.698 bonds (distance) P-C4' energy: -111.691 flat angles C4'-P-C4' energy: -113.019 flat angles P-C4'-P energy: -72.006 tors. eta vs tors. theta energy: -103.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1404.532976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.532976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.532976 (E_RNA) where: Base-Base interactions energy: -901.415 where: short stacking energy: -410.644 Base-Backbone interact. energy: -1.728 local terms energy: -501.389851 where: bonds (distance) C4'-P energy: -99.486 bonds (distance) P-C4' energy: -117.747 flat angles C4'-P-C4' energy: -108.451 flat angles P-C4'-P energy: -63.498 tors. eta vs tors. theta energy: -112.207 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: 8, replica: 10 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1164.870757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.870757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.870757 (E_RNA) where: Base-Base interactions energy: -726.477 where: short stacking energy: -361.906 Base-Backbone interact. energy: -1.755 local terms energy: -436.638443 where: bonds (distance) C4'-P energy: -91.115 bonds (distance) P-C4' energy: -115.795 flat angles C4'-P-C4' energy: -105.648 flat angles P-C4'-P energy: -44.883 tors. eta vs tors. theta energy: -79.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -760.002390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.002390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.002390 (E_RNA) where: Base-Base interactions energy: -379.693 where: short stacking energy: -226.540 Base-Backbone interact. energy: -0.801 local terms energy: -379.509007 where: bonds (distance) C4'-P energy: -109.978 bonds (distance) P-C4' energy: -110.805 flat angles C4'-P-C4' energy: -94.873 flat angles P-C4'-P energy: -56.894 tors. eta vs tors. theta energy: -6.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -505.496064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.496064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.496064 (E_RNA) where: Base-Base interactions energy: -192.659 where: short stacking energy: -153.584 Base-Backbone interact. energy: 1.153 local terms energy: -313.990808 where: bonds (distance) C4'-P energy: -105.765 bonds (distance) P-C4' energy: -103.229 flat angles C4'-P-C4' energy: -86.855 flat angles P-C4'-P energy: -36.123 tors. eta vs tors. theta energy: 17.982 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: 7 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2074.495059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.495059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.495059 (E_RNA) where: Base-Base interactions energy: -1422.707 where: short stacking energy: -616.280 Base-Backbone interact. energy: -7.157 local terms energy: -644.630871 where: bonds (distance) C4'-P energy: -124.130 bonds (distance) P-C4' energy: -111.519 flat angles C4'-P-C4' energy: -143.861 flat angles P-C4'-P energy: -97.360 tors. eta vs tors. theta energy: -167.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2065.914094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.914094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.914094 (E_RNA) where: Base-Base interactions energy: -1452.492 where: short stacking energy: -619.499 Base-Backbone interact. energy: 1.690 local terms energy: -615.112183 where: bonds (distance) C4'-P energy: -117.106 bonds (distance) P-C4' energy: -123.037 flat angles C4'-P-C4' energy: -134.857 flat angles P-C4'-P energy: -84.691 tors. eta vs tors. theta energy: -155.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1883.394474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.394474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.394474 (E_RNA) where: Base-Base interactions energy: -1298.798 where: short stacking energy: -583.435 Base-Backbone interact. energy: 3.384 local terms energy: -587.981010 where: bonds (distance) C4'-P energy: -115.548 bonds (distance) P-C4' energy: -110.755 flat angles C4'-P-C4' energy: -119.981 flat angles P-C4'-P energy: -85.336 tors. eta vs tors. theta energy: -156.361 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: 80 Temperature: 1.050000 Total energy: -1759.930194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.930194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.930194 (E_RNA) where: Base-Base interactions energy: -1179.387 where: short stacking energy: -557.980 Base-Backbone interact. energy: 1.135 local terms energy: -581.678617 where: bonds (distance) C4'-P energy: -105.753 bonds (distance) P-C4' energy: -112.882 flat angles C4'-P-C4' energy: -128.012 flat angles P-C4'-P energy: -80.942 tors. eta vs tors. theta energy: -154.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1681.144369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.144369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.144369 (E_RNA) where: Base-Base interactions energy: -1097.170 where: short stacking energy: -507.962 Base-Backbone interact. energy: -1.787 local terms energy: -582.187335 where: bonds (distance) C4'-P energy: -127.705 bonds (distance) P-C4' energy: -111.128 flat angles C4'-P-C4' energy: -116.119 flat angles P-C4'-P energy: -80.074 tors. eta vs tors. theta energy: -147.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1576.360261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.360261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.360261 (E_RNA) where: Base-Base interactions energy: -1090.006 where: short stacking energy: -494.030 Base-Backbone interact. energy: -0.400 local terms energy: -485.954342 where: bonds (distance) C4'-P energy: -91.409 bonds (distance) P-C4' energy: -90.463 flat angles C4'-P-C4' energy: -117.461 flat angles P-C4'-P energy: -65.495 tors. eta vs tors. theta energy: -121.126 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: 1 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1463.811998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.811998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.811998 (E_RNA) where: Base-Base interactions energy: -937.033 where: short stacking energy: -435.424 Base-Backbone interact. energy: -1.801 local terms energy: -524.977362 where: bonds (distance) C4'-P energy: -117.738 bonds (distance) P-C4' energy: -118.480 flat angles C4'-P-C4' energy: -109.486 flat angles P-C4'-P energy: -68.541 tors. eta vs tors. theta energy: -110.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1165.221025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.221025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.221025 (E_RNA) where: Base-Base interactions energy: -720.002 where: short stacking energy: -344.553 Base-Backbone interact. energy: -4.138 local terms energy: -441.080775 where: bonds (distance) C4'-P energy: -85.425 bonds (distance) P-C4' energy: -109.583 flat angles C4'-P-C4' energy: -105.999 flat angles P-C4'-P energy: -61.802 tors. eta vs tors. theta energy: -78.271 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: 9, replica: 6 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -772.739688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.739688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.739688 (E_RNA) where: Base-Base interactions energy: -409.506 where: short stacking energy: -230.470 Base-Backbone interact. energy: 1.123 local terms energy: -364.357126 where: bonds (distance) C4'-P energy: -90.738 bonds (distance) P-C4' energy: -107.407 flat angles C4'-P-C4' energy: -100.304 flat angles P-C4'-P energy: -57.300 tors. eta vs tors. theta energy: -8.608 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: 4 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -500.606139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.606139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.606139 (E_RNA) where: Base-Base interactions energy: -167.935 where: short stacking energy: -146.418 Base-Backbone interact. energy: 3.337 local terms energy: -336.008261 where: bonds (distance) C4'-P energy: -101.884 bonds (distance) P-C4' energy: -115.813 flat angles C4'-P-C4' energy: -93.415 flat angles P-C4'-P energy: -39.662 tors. eta vs tors. theta energy: 14.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2083.931669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.931669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.931669 (E_RNA) where: Base-Base interactions energy: -1428.008 where: short stacking energy: -621.087 Base-Backbone interact. energy: -2.945 local terms energy: -652.978338 where: bonds (distance) C4'-P energy: -127.150 bonds (distance) P-C4' energy: -124.952 flat angles C4'-P-C4' energy: -141.260 flat angles P-C4'-P energy: -86.611 tors. eta vs tors. theta energy: -173.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2071.658325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.658325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.658325 (E_RNA) where: Base-Base interactions energy: -1429.552 where: short stacking energy: -610.218 Base-Backbone interact. energy: -2.563 local terms energy: -639.543431 where: bonds (distance) C4'-P energy: -115.729 bonds (distance) P-C4' energy: -130.739 flat angles C4'-P-C4' energy: -142.626 flat angles P-C4'-P energy: -91.348 tors. eta vs tors. theta energy: -159.102 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: 3 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1919.489799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.489799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.489799 (E_RNA) where: Base-Base interactions energy: -1316.638 where: short stacking energy: -587.483 Base-Backbone interact. energy: 1.206 local terms energy: -604.058416 where: bonds (distance) C4'-P energy: -115.952 bonds (distance) P-C4' energy: -120.478 flat angles C4'-P-C4' energy: -131.818 flat angles P-C4'-P energy: -78.620 tors. eta vs tors. theta energy: -157.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1747.340268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.340268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.340268 (E_RNA) where: Base-Base interactions energy: -1169.570 where: short stacking energy: -529.882 Base-Backbone interact. energy: -2.098 local terms energy: -575.672212 where: bonds (distance) C4'-P energy: -122.724 bonds (distance) P-C4' energy: -110.024 flat angles C4'-P-C4' energy: -128.706 flat angles P-C4'-P energy: -73.181 tors. eta vs tors. theta energy: -141.037 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: 5, replica: 9 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1639.581151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.581151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.581151 (E_RNA) where: Base-Base interactions energy: -1109.835 where: short stacking energy: -500.164 Base-Backbone interact. energy: -0.178 local terms energy: -529.568164 where: bonds (distance) C4'-P energy: -112.449 bonds (distance) P-C4' energy: -105.488 flat angles C4'-P-C4' energy: -113.470 flat angles P-C4'-P energy: -73.185 tors. eta vs tors. theta energy: -124.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1530.662514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.662514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.662514 (E_RNA) where: Base-Base interactions energy: -1003.258 where: short stacking energy: -448.640 Base-Backbone interact. energy: 0.177 local terms energy: -527.581690 where: bonds (distance) C4'-P energy: -122.689 bonds (distance) P-C4' energy: -106.567 flat angles C4'-P-C4' energy: -115.184 flat angles P-C4'-P energy: -80.918 tors. eta vs tors. theta energy: -102.224 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: 1 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1413.438279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.438279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.438279 (E_RNA) where: Base-Base interactions energy: -932.155 where: short stacking energy: -423.718 Base-Backbone interact. energy: -1.752 local terms energy: -479.531196 where: bonds (distance) C4'-P energy: -105.211 bonds (distance) P-C4' energy: -105.377 flat angles C4'-P-C4' energy: -104.490 flat angles P-C4'-P energy: -65.049 tors. eta vs tors. theta energy: -99.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1215.928492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.928492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.928492 (E_RNA) where: Base-Base interactions energy: -765.380 where: short stacking energy: -347.695 Base-Backbone interact. energy: -3.554 local terms energy: -446.994235 where: bonds (distance) C4'-P energy: -111.638 bonds (distance) P-C4' energy: -87.808 flat angles C4'-P-C4' energy: -115.633 flat angles P-C4'-P energy: -61.531 tors. eta vs tors. theta energy: -70.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -729.210537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.210537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.210537 (E_RNA) where: Base-Base interactions energy: -367.542 where: short stacking energy: -184.607 Base-Backbone interact. energy: -2.927 local terms energy: -358.741244 where: bonds (distance) C4'-P energy: -108.175 bonds (distance) P-C4' energy: -97.074 flat angles C4'-P-C4' energy: -79.870 flat angles P-C4'-P energy: -63.340 tors. eta vs tors. theta energy: -10.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -512.555213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.555213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.555213 (E_RNA) where: Base-Base interactions energy: -190.550 where: short stacking energy: -122.047 Base-Backbone interact. energy: 0.809 local terms energy: -322.814576 where: bonds (distance) C4'-P energy: -102.633 bonds (distance) P-C4' energy: -99.977 flat angles C4'-P-C4' energy: -91.645 flat angles P-C4'-P energy: -62.991 tors. eta vs tors. theta energy: 34.431 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: 7 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2090.390928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.390928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.390928 (E_RNA) where: Base-Base interactions energy: -1431.329 where: short stacking energy: -626.778 Base-Backbone interact. energy: -3.918 local terms energy: -655.144254 where: bonds (distance) C4'-P energy: -125.971 bonds (distance) P-C4' energy: -117.073 flat angles C4'-P-C4' energy: -142.638 flat angles P-C4'-P energy: -100.036 tors. eta vs tors. theta energy: -169.426 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: 5 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2013.079138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.079138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.079138 (E_RNA) where: Base-Base interactions energy: -1407.163 where: short stacking energy: -580.203 Base-Backbone interact. energy: -1.927 local terms energy: -603.989207 where: bonds (distance) C4'-P energy: -121.413 bonds (distance) P-C4' energy: -126.045 flat angles C4'-P-C4' energy: -132.471 flat angles P-C4'-P energy: -73.115 tors. eta vs tors. theta energy: -150.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1922.087306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.087306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.087306 (E_RNA) where: Base-Base interactions energy: -1342.543 where: short stacking energy: -559.333 Base-Backbone interact. energy: 3.722 local terms energy: -583.265877 where: bonds (distance) C4'-P energy: -116.711 bonds (distance) P-C4' energy: -120.324 flat angles C4'-P-C4' energy: -114.382 flat angles P-C4'-P energy: -80.413 tors. eta vs tors. theta energy: -151.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1747.931807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.931807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.931807 (E_RNA) where: Base-Base interactions energy: -1156.492 where: short stacking energy: -549.846 Base-Backbone interact. energy: -1.456 local terms energy: -589.984523 where: bonds (distance) C4'-P energy: -117.302 bonds (distance) P-C4' energy: -121.762 flat angles C4'-P-C4' energy: -125.985 flat angles P-C4'-P energy: -68.413 tors. eta vs tors. theta energy: -156.523 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: 9 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1660.283026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.283026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.283026 (E_RNA) where: Base-Base interactions energy: -1107.235 where: short stacking energy: -501.703 Base-Backbone interact. energy: -0.861 local terms energy: -552.187337 where: bonds (distance) C4'-P energy: -123.792 bonds (distance) P-C4' energy: -110.317 flat angles C4'-P-C4' energy: -108.044 flat angles P-C4'-P energy: -69.741 tors. eta vs tors. theta energy: -140.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1563.184977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.184977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.184977 (E_RNA) where: Base-Base interactions energy: -1069.098 where: short stacking energy: -458.686 Base-Backbone interact. energy: -2.971 local terms energy: -491.115996 where: bonds (distance) C4'-P energy: -98.790 bonds (distance) P-C4' energy: -91.501 flat angles C4'-P-C4' energy: -116.037 flat angles P-C4'-P energy: -76.603 tors. eta vs tors. theta energy: -108.185 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: 1 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1391.319929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.319929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.319929 (E_RNA) where: Base-Base interactions energy: -898.184 where: short stacking energy: -424.011 Base-Backbone interact. energy: -1.876 local terms energy: -491.260187 where: bonds (distance) C4'-P energy: -99.158 bonds (distance) P-C4' energy: -100.115 flat angles C4'-P-C4' energy: -103.787 flat angles P-C4'-P energy: -74.018 tors. eta vs tors. theta energy: -114.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1224.365628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.365628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.365628 (E_RNA) where: Base-Base interactions energy: -763.358 where: short stacking energy: -374.782 Base-Backbone interact. energy: -3.564 local terms energy: -457.443810 where: bonds (distance) C4'-P energy: -102.926 bonds (distance) P-C4' energy: -97.789 flat angles C4'-P-C4' energy: -117.628 flat angles P-C4'-P energy: -65.243 tors. eta vs tors. theta energy: -73.857 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: 6 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -780.152643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.152643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.152643 (E_RNA) where: Base-Base interactions energy: -399.492 where: short stacking energy: -194.064 Base-Backbone interact. energy: -1.539 local terms energy: -379.121740 where: bonds (distance) C4'-P energy: -119.103 bonds (distance) P-C4' energy: -87.018 flat angles C4'-P-C4' energy: -95.207 flat angles P-C4'-P energy: -62.922 tors. eta vs tors. theta energy: -14.871 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: 10, replica: 4 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -476.525462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.525462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.525462 (E_RNA) where: Base-Base interactions energy: -177.443 where: short stacking energy: -133.449 Base-Backbone interact. energy: 2.396 local terms energy: -301.478250 where: bonds (distance) C4'-P energy: -97.543 bonds (distance) P-C4' energy: -88.351 flat angles C4'-P-C4' energy: -90.859 flat angles P-C4'-P energy: -46.448 tors. eta vs tors. theta energy: 21.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2091.243180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.243180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.243180 (E_RNA) where: Base-Base interactions energy: -1433.883 where: short stacking energy: -648.846 Base-Backbone interact. energy: 0.470 local terms energy: -657.830266 where: bonds (distance) C4'-P energy: -126.072 bonds (distance) P-C4' energy: -120.353 flat angles C4'-P-C4' energy: -148.954 flat angles P-C4'-P energy: -98.298 tors. eta vs tors. theta energy: -164.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2047.882137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.882137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.882137 (E_RNA) where: Base-Base interactions energy: -1409.337 where: short stacking energy: -609.544 Base-Backbone interact. energy: -4.386 local terms energy: -634.158661 where: bonds (distance) C4'-P energy: -121.039 bonds (distance) P-C4' energy: -121.605 flat angles C4'-P-C4' energy: -133.580 flat angles P-C4'-P energy: -86.373 tors. eta vs tors. theta energy: -171.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1928.077335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.077335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.077335 (E_RNA) where: Base-Base interactions energy: -1309.197 where: short stacking energy: -558.584 Base-Backbone interact. energy: -3.613 local terms energy: -615.267098 where: bonds (distance) C4'-P energy: -124.282 bonds (distance) P-C4' energy: -124.264 flat angles C4'-P-C4' energy: -129.858 flat angles P-C4'-P energy: -82.719 tors. eta vs tors. theta energy: -154.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1751.188442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.188442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.188442 (E_RNA) where: Base-Base interactions energy: -1185.341 where: short stacking energy: -550.169 Base-Backbone interact. energy: -0.887 local terms energy: -564.959674 where: bonds (distance) C4'-P energy: -96.312 bonds (distance) P-C4' energy: -123.590 flat angles C4'-P-C4' energy: -121.523 flat angles P-C4'-P energy: -71.495 tors. eta vs tors. theta energy: -152.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1671.409470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.409470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.409470 (E_RNA) where: Base-Base interactions energy: -1098.552 where: short stacking energy: -532.496 Base-Backbone interact. energy: -0.189 local terms energy: -572.668076 where: bonds (distance) C4'-P energy: -104.561 bonds (distance) P-C4' energy: -109.231 flat angles C4'-P-C4' energy: -132.689 flat angles P-C4'-P energy: -80.415 tors. eta vs tors. theta energy: -145.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1614.237238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.237238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.237238 (E_RNA) where: Base-Base interactions energy: -1094.105 where: short stacking energy: -491.395 Base-Backbone interact. energy: -2.720 local terms energy: -517.412494 where: bonds (distance) C4'-P energy: -102.343 bonds (distance) P-C4' energy: -108.992 flat angles C4'-P-C4' energy: -103.036 flat angles P-C4'-P energy: -73.469 tors. eta vs tors. theta energy: -129.572 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: 1 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1363.237823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.237823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.237823 (E_RNA) where: Base-Base interactions energy: -888.374 where: short stacking energy: -427.203 Base-Backbone interact. energy: 2.329 local terms energy: -477.192753 where: bonds (distance) C4'-P energy: -99.658 bonds (distance) P-C4' energy: -105.470 flat angles C4'-P-C4' energy: -110.798 flat angles P-C4'-P energy: -69.737 tors. eta vs tors. theta energy: -91.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1193.043188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.043188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.043188 (E_RNA) where: Base-Base interactions energy: -769.835 where: short stacking energy: -367.318 Base-Backbone interact. energy: -0.319 local terms energy: -422.889609 where: bonds (distance) C4'-P energy: -95.448 bonds (distance) P-C4' energy: -100.928 flat angles C4'-P-C4' energy: -106.085 flat angles P-C4'-P energy: -55.034 tors. eta vs tors. theta energy: -65.394 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: 6 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -783.075224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.075224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.075224 (E_RNA) where: Base-Base interactions energy: -423.562 where: short stacking energy: -227.779 Base-Backbone interact. energy: -2.197 local terms energy: -357.315750 where: bonds (distance) C4'-P energy: -82.129 bonds (distance) P-C4' energy: -100.904 flat angles C4'-P-C4' energy: -91.154 flat angles P-C4'-P energy: -73.822 tors. eta vs tors. theta energy: -9.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -499.188517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.188517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.188517 (E_RNA) where: Base-Base interactions energy: -182.888 where: short stacking energy: -145.873 Base-Backbone interact. energy: 3.082 local terms energy: -319.382849 where: bonds (distance) C4'-P energy: -100.947 bonds (distance) P-C4' energy: -106.047 flat angles C4'-P-C4' energy: -83.521 flat angles P-C4'-P energy: -51.282 tors. eta vs tors. theta energy: 22.414 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: 7 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2101.801049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.801049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.801049 (E_RNA) where: Base-Base interactions energy: -1446.898 where: short stacking energy: -625.279 Base-Backbone interact. energy: -7.361 local terms energy: -647.542277 where: bonds (distance) C4'-P energy: -121.277 bonds (distance) P-C4' energy: -122.556 flat angles C4'-P-C4' energy: -133.078 flat angles P-C4'-P energy: -92.604 tors. eta vs tors. theta energy: -178.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2042.836100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.836100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.836100 (E_RNA) where: Base-Base interactions energy: -1429.840 where: short stacking energy: -610.940 Base-Backbone interact. energy: -4.758 local terms energy: -608.238566 where: bonds (distance) C4'-P energy: -116.234 bonds (distance) P-C4' energy: -121.096 flat angles C4'-P-C4' energy: -116.157 flat angles P-C4'-P energy: -80.213 tors. eta vs tors. theta energy: -174.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1923.723737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.723737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.723737 (E_RNA) where: Base-Base interactions energy: -1303.802 where: short stacking energy: -568.361 Base-Backbone interact. energy: -0.913 local terms energy: -619.008779 where: bonds (distance) C4'-P energy: -115.644 bonds (distance) P-C4' energy: -120.441 flat angles C4'-P-C4' energy: -136.920 flat angles P-C4'-P energy: -85.999 tors. eta vs tors. theta energy: -160.005 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: 4, replica: 2 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1730.056480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.056480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.056480 (E_RNA) where: Base-Base interactions energy: -1160.930 where: short stacking energy: -558.665 Base-Backbone interact. energy: -0.498 local terms energy: -568.628696 where: bonds (distance) C4'-P energy: -96.689 bonds (distance) P-C4' energy: -112.060 flat angles C4'-P-C4' energy: -135.827 flat angles P-C4'-P energy: -72.814 tors. eta vs tors. theta energy: -151.237 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: 5, replica: 9 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1675.262322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.262322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.262322 (E_RNA) where: Base-Base interactions energy: -1145.578 where: short stacking energy: -508.705 Base-Backbone interact. energy: -0.267 local terms energy: -529.417345 where: bonds (distance) C4'-P energy: -104.571 bonds (distance) P-C4' energy: -95.184 flat angles C4'-P-C4' energy: -103.149 flat angles P-C4'-P energy: -87.291 tors. eta vs tors. theta energy: -139.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1567.285045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.285045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.285045 (E_RNA) where: Base-Base interactions energy: -1085.132 where: short stacking energy: -449.719 Base-Backbone interact. energy: -0.779 local terms energy: -481.374034 where: bonds (distance) C4'-P energy: -97.926 bonds (distance) P-C4' energy: -99.643 flat angles C4'-P-C4' energy: -116.738 flat angles P-C4'-P energy: -52.771 tors. eta vs tors. theta energy: -114.297 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: 1 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1339.650646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.650646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.650646 (E_RNA) where: Base-Base interactions energy: -873.965 where: short stacking energy: -389.612 Base-Backbone interact. energy: -1.882 local terms energy: -463.804012 where: bonds (distance) C4'-P energy: -87.382 bonds (distance) P-C4' energy: -103.474 flat angles C4'-P-C4' energy: -111.021 flat angles P-C4'-P energy: -70.441 tors. eta vs tors. theta energy: -91.485 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: 10 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1165.334471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.334471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.334471 (E_RNA) where: Base-Base interactions energy: -722.910 where: short stacking energy: -337.184 Base-Backbone interact. energy: -1.644 local terms energy: -440.780310 where: bonds (distance) C4'-P energy: -108.593 bonds (distance) P-C4' energy: -100.751 flat angles C4'-P-C4' energy: -88.296 flat angles P-C4'-P energy: -66.334 tors. eta vs tors. theta energy: -76.805 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: 9, replica: 6 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -750.467419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.467419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.467419 (E_RNA) where: Base-Base interactions energy: -399.824 where: short stacking energy: -213.011 Base-Backbone interact. energy: 1.172 local terms energy: -351.815342 where: bonds (distance) C4'-P energy: -108.703 bonds (distance) P-C4' energy: -106.748 flat angles C4'-P-C4' energy: -74.286 flat angles P-C4'-P energy: -59.997 tors. eta vs tors. theta energy: -2.082 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: 4 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -477.765598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.765598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.765598 (E_RNA) where: Base-Base interactions energy: -172.648 where: short stacking energy: -128.494 Base-Backbone interact. energy: 1.177 local terms energy: -306.294748 where: bonds (distance) C4'-P energy: -95.665 bonds (distance) P-C4' energy: -98.484 flat angles C4'-P-C4' energy: -83.800 flat angles P-C4'-P energy: -52.147 tors. eta vs tors. theta energy: 23.801 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: 7 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2123.527875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.527875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.527875 (E_RNA) where: Base-Base interactions energy: -1460.751 where: short stacking energy: -632.844 Base-Backbone interact. energy: -7.727 local terms energy: -655.050418 where: bonds (distance) C4'-P energy: -120.038 bonds (distance) P-C4' energy: -119.349 flat angles C4'-P-C4' energy: -146.780 flat angles P-C4'-P energy: -90.351 tors. eta vs tors. theta energy: -178.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2053.868352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.868352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.868352 (E_RNA) where: Base-Base interactions energy: -1441.561 where: short stacking energy: -610.953 Base-Backbone interact. energy: 0.023 local terms energy: -612.330504 where: bonds (distance) C4'-P energy: -98.595 bonds (distance) P-C4' energy: -120.040 flat angles C4'-P-C4' energy: -128.478 flat angles P-C4'-P energy: -93.107 tors. eta vs tors. theta energy: -172.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1926.971582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.971582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.971582 (E_RNA) where: Base-Base interactions energy: -1303.730 where: short stacking energy: -580.537 Base-Backbone interact. energy: -3.451 local terms energy: -619.790760 where: bonds (distance) C4'-P energy: -110.914 bonds (distance) P-C4' energy: -118.708 flat angles C4'-P-C4' energy: -135.479 flat angles P-C4'-P energy: -91.883 tors. eta vs tors. theta energy: -162.807 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: 2 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1775.340356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.340356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.340356 (E_RNA) where: Base-Base interactions energy: -1188.079 where: short stacking energy: -576.944 Base-Backbone interact. energy: -0.766 local terms energy: -586.496101 where: bonds (distance) C4'-P energy: -112.114 bonds (distance) P-C4' energy: -117.632 flat angles C4'-P-C4' energy: -126.373 flat angles P-C4'-P energy: -74.691 tors. eta vs tors. theta energy: -155.686 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: 9 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1697.119943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.119943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.119943 (E_RNA) where: Base-Base interactions energy: -1135.410 where: short stacking energy: -522.722 Base-Backbone interact. energy: -4.844 local terms energy: -556.865796 where: bonds (distance) C4'-P energy: -113.309 bonds (distance) P-C4' energy: -115.631 flat angles C4'-P-C4' energy: -103.785 flat angles P-C4'-P energy: -79.618 tors. eta vs tors. theta energy: -144.522 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: 8 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1650.553334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.553334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.553334 (E_RNA) where: Base-Base interactions energy: -1134.668 where: short stacking energy: -463.413 Base-Backbone interact. energy: -4.591 local terms energy: -511.294920 where: bonds (distance) C4'-P energy: -114.293 bonds (distance) P-C4' energy: -103.194 flat angles C4'-P-C4' energy: -115.591 flat angles P-C4'-P energy: -68.503 tors. eta vs tors. theta energy: -109.715 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: 1 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1334.711872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.711872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.711872 (E_RNA) where: Base-Base interactions energy: -859.194 where: short stacking energy: -410.838 Base-Backbone interact. energy: 4.148 local terms energy: -479.666205 where: bonds (distance) C4'-P energy: -109.291 bonds (distance) P-C4' energy: -113.688 flat angles C4'-P-C4' energy: -97.467 flat angles P-C4'-P energy: -61.902 tors. eta vs tors. theta energy: -97.318 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: 8, replica: 10 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1169.621021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.621021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.621021 (E_RNA) where: Base-Base interactions energy: -709.750 where: short stacking energy: -358.649 Base-Backbone interact. energy: -0.446 local terms energy: -459.425265 where: bonds (distance) C4'-P energy: -89.919 bonds (distance) P-C4' energy: -103.085 flat angles C4'-P-C4' energy: -100.920 flat angles P-C4'-P energy: -79.581 tors. eta vs tors. theta energy: -85.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -841.248907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.248907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.248907 (E_RNA) where: Base-Base interactions energy: -459.113 where: short stacking energy: -245.754 Base-Backbone interact. energy: 1.006 local terms energy: -383.141919 where: bonds (distance) C4'-P energy: -99.597 bonds (distance) P-C4' energy: -107.776 flat angles C4'-P-C4' energy: -94.977 flat angles P-C4'-P energy: -56.431 tors. eta vs tors. theta energy: -24.361 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: 10, replica: 4 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -470.222408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.222408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.222408 (E_RNA) where: Base-Base interactions energy: -192.542 where: short stacking energy: -138.921 Base-Backbone interact. energy: -0.257 local terms energy: -277.423667 where: bonds (distance) C4'-P energy: -102.608 bonds (distance) P-C4' energy: -91.616 flat angles C4'-P-C4' energy: -64.985 flat angles P-C4'-P energy: -33.936 tors. eta vs tors. theta energy: 15.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2142.826802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.826802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.826802 (E_RNA) where: Base-Base interactions energy: -1473.954 where: short stacking energy: -617.461 Base-Backbone interact. energy: -5.818 local terms energy: -663.054220 where: bonds (distance) C4'-P energy: -126.897 bonds (distance) P-C4' energy: -127.315 flat angles C4'-P-C4' energy: -140.705 flat angles P-C4'-P energy: -91.525 tors. eta vs tors. theta energy: -176.611 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: 5 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2052.273840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.273840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.273840 (E_RNA) where: Base-Base interactions energy: -1441.733 where: short stacking energy: -611.166 Base-Backbone interact. energy: 1.363 local terms energy: -611.903179 where: bonds (distance) C4'-P energy: -121.535 bonds (distance) P-C4' energy: -109.185 flat angles C4'-P-C4' energy: -135.426 flat angles P-C4'-P energy: -79.021 tors. eta vs tors. theta energy: -166.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1868.926358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.926358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.926358 (E_RNA) where: Base-Base interactions energy: -1282.632 where: short stacking energy: -568.023 Base-Backbone interact. energy: -3.009 local terms energy: -583.285021 where: bonds (distance) C4'-P energy: -108.637 bonds (distance) P-C4' energy: -122.746 flat angles C4'-P-C4' energy: -123.074 flat angles P-C4'-P energy: -67.048 tors. eta vs tors. theta energy: -161.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1755.838253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.838253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.838253 (E_RNA) where: Base-Base interactions energy: -1175.805 where: short stacking energy: -542.380 Base-Backbone interact. energy: 1.113 local terms energy: -581.146215 where: bonds (distance) C4'-P energy: -111.079 bonds (distance) P-C4' energy: -121.269 flat angles C4'-P-C4' energy: -134.256 flat angles P-C4'-P energy: -69.143 tors. eta vs tors. theta energy: -145.400 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: 5, replica: 9 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1719.176486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.176486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.176486 (E_RNA) where: Base-Base interactions energy: -1140.019 where: short stacking energy: -522.159 Base-Backbone interact. energy: -2.123 local terms energy: -577.034434 where: bonds (distance) C4'-P energy: -103.175 bonds (distance) P-C4' energy: -125.394 flat angles C4'-P-C4' energy: -123.763 flat angles P-C4'-P energy: -83.590 tors. eta vs tors. theta energy: -141.112 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: 8 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1627.291975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.291975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.291975 (E_RNA) where: Base-Base interactions energy: -1101.103 where: short stacking energy: -479.429 Base-Backbone interact. energy: -5.888 local terms energy: -520.301529 where: bonds (distance) C4'-P energy: -93.818 bonds (distance) P-C4' energy: -113.392 flat angles C4'-P-C4' energy: -116.715 flat angles P-C4'-P energy: -82.084 tors. eta vs tors. theta energy: -114.292 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: 7, replica: 1 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1368.617754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.617754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.617754 (E_RNA) where: Base-Base interactions energy: -884.189 where: short stacking energy: -420.846 Base-Backbone interact. energy: -1.157 local terms energy: -483.271731 where: bonds (distance) C4'-P energy: -85.078 bonds (distance) P-C4' energy: -109.092 flat angles C4'-P-C4' energy: -123.130 flat angles P-C4'-P energy: -61.559 tors. eta vs tors. theta energy: -104.413 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: 10 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1204.049967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.049967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.049967 (E_RNA) where: Base-Base interactions energy: -755.391 where: short stacking energy: -373.979 Base-Backbone interact. energy: -2.844 local terms energy: -445.814734 where: bonds (distance) C4'-P energy: -95.354 bonds (distance) P-C4' energy: -102.788 flat angles C4'-P-C4' energy: -115.159 flat angles P-C4'-P energy: -59.800 tors. eta vs tors. theta energy: -72.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -879.640453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.640453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.640453 (E_RNA) where: Base-Base interactions energy: -519.731 where: short stacking energy: -271.077 Base-Backbone interact. energy: -0.894 local terms energy: -359.015493 where: bonds (distance) C4'-P energy: -96.490 bonds (distance) P-C4' energy: -105.824 flat angles C4'-P-C4' energy: -78.268 flat angles P-C4'-P energy: -56.934 tors. eta vs tors. theta energy: -21.500 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: 4 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -519.145440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.145440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.145440 (E_RNA) where: Base-Base interactions energy: -200.836 where: short stacking energy: -161.561 Base-Backbone interact. energy: 4.510 local terms energy: -322.818625 where: bonds (distance) C4'-P energy: -92.304 bonds (distance) P-C4' energy: -114.702 flat angles C4'-P-C4' energy: -94.368 flat angles P-C4'-P energy: -38.836 tors. eta vs tors. theta energy: 17.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2125.145220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.145220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.145220 (E_RNA) where: Base-Base interactions energy: -1493.086 where: short stacking energy: -617.255 Base-Backbone interact. energy: -2.673 local terms energy: -629.386205 where: bonds (distance) C4'-P energy: -120.509 bonds (distance) P-C4' energy: -114.952 flat angles C4'-P-C4' energy: -142.168 flat angles P-C4'-P energy: -87.141 tors. eta vs tors. theta energy: -164.616 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: 5 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2039.446066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.446066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.446066 (E_RNA) where: Base-Base interactions energy: -1438.902 where: short stacking energy: -608.674 Base-Backbone interact. energy: 6.213 local terms energy: -606.757115 where: bonds (distance) C4'-P energy: -117.447 bonds (distance) P-C4' energy: -124.826 flat angles C4'-P-C4' energy: -135.005 flat angles P-C4'-P energy: -78.627 tors. eta vs tors. theta energy: -150.852 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: 3 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1888.453175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.453175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.453175 (E_RNA) where: Base-Base interactions energy: -1279.631 where: short stacking energy: -576.002 Base-Backbone interact. energy: -4.666 local terms energy: -604.155999 where: bonds (distance) C4'-P energy: -115.793 bonds (distance) P-C4' energy: -120.869 flat angles C4'-P-C4' energy: -124.043 flat angles P-C4'-P energy: -85.122 tors. eta vs tors. theta energy: -158.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1746.182922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.182922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.182922 (E_RNA) where: Base-Base interactions energy: -1189.713 where: short stacking energy: -568.575 Base-Backbone interact. energy: -4.423 local terms energy: -552.046945 where: bonds (distance) C4'-P energy: -104.876 bonds (distance) P-C4' energy: -118.243 flat angles C4'-P-C4' energy: -115.622 flat angles P-C4'-P energy: -70.311 tors. eta vs tors. theta energy: -142.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1714.201246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.201246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.201246 (E_RNA) where: Base-Base interactions energy: -1157.953 where: short stacking energy: -524.790 Base-Backbone interact. energy: -2.876 local terms energy: -553.372020 where: bonds (distance) C4'-P energy: -117.711 bonds (distance) P-C4' energy: -99.643 flat angles C4'-P-C4' energy: -135.113 flat angles P-C4'-P energy: -62.232 tors. eta vs tors. theta energy: -138.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1588.377936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.377936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.377936 (E_RNA) where: Base-Base interactions energy: -1070.547 where: short stacking energy: -489.481 Base-Backbone interact. energy: -2.789 local terms energy: -515.042159 where: bonds (distance) C4'-P energy: -107.637 bonds (distance) P-C4' energy: -108.073 flat angles C4'-P-C4' energy: -112.821 flat angles P-C4'-P energy: -75.978 tors. eta vs tors. theta energy: -110.533 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: 1 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1376.213598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.213598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.213598 (E_RNA) where: Base-Base interactions energy: -877.064 where: short stacking energy: -413.775 Base-Backbone interact. energy: -1.640 local terms energy: -497.509604 where: bonds (distance) C4'-P energy: -87.107 bonds (distance) P-C4' energy: -123.450 flat angles C4'-P-C4' energy: -118.865 flat angles P-C4'-P energy: -71.360 tors. eta vs tors. theta energy: -96.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1231.081928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.081928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.081928 (E_RNA) where: Base-Base interactions energy: -788.998 where: short stacking energy: -360.400 Base-Backbone interact. energy: -0.440 local terms energy: -441.643546 where: bonds (distance) C4'-P energy: -87.887 bonds (distance) P-C4' energy: -119.983 flat angles C4'-P-C4' energy: -97.914 flat angles P-C4'-P energy: -50.939 tors. eta vs tors. theta energy: -84.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -880.711486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.711486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.711486 (E_RNA) where: Base-Base interactions energy: -498.231 where: short stacking energy: -242.089 Base-Backbone interact. energy: 1.817 local terms energy: -384.297648 where: bonds (distance) C4'-P energy: -94.003 bonds (distance) P-C4' energy: -112.196 flat angles C4'-P-C4' energy: -94.090 flat angles P-C4'-P energy: -52.690 tors. eta vs tors. theta energy: -31.318 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: 10, replica: 4 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -552.590578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.590578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.590578 (E_RNA) where: Base-Base interactions energy: -271.111 where: short stacking energy: -161.466 Base-Backbone interact. energy: -2.713 local terms energy: -278.766791 where: bonds (distance) C4'-P energy: -78.974 bonds (distance) P-C4' energy: -93.707 flat angles C4'-P-C4' energy: -91.652 flat angles P-C4'-P energy: -43.829 tors. eta vs tors. theta energy: 29.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2138.020530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.020530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.020530 (E_RNA) where: Base-Base interactions energy: -1510.859 where: short stacking energy: -607.375 Base-Backbone interact. energy: -2.060 local terms energy: -625.101209 where: bonds (distance) C4'-P energy: -129.364 bonds (distance) P-C4' energy: -120.387 flat angles C4'-P-C4' energy: -128.324 flat angles P-C4'-P energy: -85.939 tors. eta vs tors. theta energy: -161.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2061.136653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.136653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.136653 (E_RNA) where: Base-Base interactions energy: -1429.220 where: short stacking energy: -626.144 Base-Backbone interact. energy: -1.624 local terms energy: -630.292564 where: bonds (distance) C4'-P energy: -118.733 bonds (distance) P-C4' energy: -129.754 flat angles C4'-P-C4' energy: -126.569 flat angles P-C4'-P energy: -90.728 tors. eta vs tors. theta energy: -164.508 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: 3 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1905.301746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.301746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.301746 (E_RNA) where: Base-Base interactions energy: -1319.585 where: short stacking energy: -555.770 Base-Backbone interact. energy: -0.540 local terms energy: -585.177466 where: bonds (distance) C4'-P energy: -116.116 bonds (distance) P-C4' energy: -103.112 flat angles C4'-P-C4' energy: -128.247 flat angles P-C4'-P energy: -81.589 tors. eta vs tors. theta energy: -156.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1744.375543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.375543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.375543 (E_RNA) where: Base-Base interactions energy: -1142.657 where: short stacking energy: -515.043 Base-Backbone interact. energy: -0.838 local terms energy: -600.880226 where: bonds (distance) C4'-P energy: -118.167 bonds (distance) P-C4' energy: -128.633 flat angles C4'-P-C4' energy: -132.423 flat angles P-C4'-P energy: -67.829 tors. eta vs tors. theta energy: -153.828 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: 9 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1705.520213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.520213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.520213 (E_RNA) where: Base-Base interactions energy: -1146.361 where: short stacking energy: -503.182 Base-Backbone interact. energy: 0.521 local terms energy: -559.680193 where: bonds (distance) C4'-P energy: -111.128 bonds (distance) P-C4' energy: -112.968 flat angles C4'-P-C4' energy: -120.077 flat angles P-C4'-P energy: -82.874 tors. eta vs tors. theta energy: -132.633 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: 8 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1587.661135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.661135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.661135 (E_RNA) where: Base-Base interactions energy: -1075.305 where: short stacking energy: -496.986 Base-Backbone interact. energy: 2.482 local terms energy: -514.838714 where: bonds (distance) C4'-P energy: -85.585 bonds (distance) P-C4' energy: -98.792 flat angles C4'-P-C4' energy: -122.719 flat angles P-C4'-P energy: -83.515 tors. eta vs tors. theta energy: -124.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1354.232579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.232579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.232579 (E_RNA) where: Base-Base interactions energy: -880.682 where: short stacking energy: -392.388 Base-Backbone interact. energy: -4.248 local terms energy: -469.302454 where: bonds (distance) C4'-P energy: -88.631 bonds (distance) P-C4' energy: -101.586 flat angles C4'-P-C4' energy: -105.625 flat angles P-C4'-P energy: -80.130 tors. eta vs tors. theta energy: -93.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1213.822330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.822330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.822330 (E_RNA) where: Base-Base interactions energy: -763.331 where: short stacking energy: -371.188 Base-Backbone interact. energy: 1.206 local terms energy: -451.697783 where: bonds (distance) C4'-P energy: -107.086 bonds (distance) P-C4' energy: -97.171 flat angles C4'-P-C4' energy: -95.358 flat angles P-C4'-P energy: -73.866 tors. eta vs tors. theta energy: -78.217 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: 6 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -922.971862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.971862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.971862 (E_RNA) where: Base-Base interactions energy: -547.743 where: short stacking energy: -272.114 Base-Backbone interact. energy: 1.433 local terms energy: -376.661837 where: bonds (distance) C4'-P energy: -97.304 bonds (distance) P-C4' energy: -77.521 flat angles C4'-P-C4' energy: -103.084 flat angles P-C4'-P energy: -58.654 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: 10, replica: 4 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -509.337134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.337134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.337134 (E_RNA) where: Base-Base interactions energy: -210.848 where: short stacking energy: -145.122 Base-Backbone interact. energy: 7.460 local terms energy: -305.948483 where: bonds (distance) C4'-P energy: -97.518 bonds (distance) P-C4' energy: -92.819 flat angles C4'-P-C4' energy: -95.326 flat angles P-C4'-P energy: -40.083 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: 1, replica: 7 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2129.096069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.096069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.096069 (E_RNA) where: Base-Base interactions energy: -1514.891 where: short stacking energy: -603.483 Base-Backbone interact. energy: -3.148 local terms energy: -611.057134 where: bonds (distance) C4'-P energy: -117.508 bonds (distance) P-C4' energy: -111.233 flat angles C4'-P-C4' energy: -134.137 flat angles P-C4'-P energy: -85.406 tors. eta vs tors. theta energy: -162.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2063.205238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.205238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.205238 (E_RNA) where: Base-Base interactions energy: -1425.434 where: short stacking energy: -592.802 Base-Backbone interact. energy: -1.658 local terms energy: -636.113278 where: bonds (distance) C4'-P energy: -129.171 bonds (distance) P-C4' energy: -120.587 flat angles C4'-P-C4' energy: -128.135 flat angles P-C4'-P energy: -90.131 tors. eta vs tors. theta energy: -168.090 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: 3 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1890.138521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.138521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.138521 (E_RNA) where: Base-Base interactions energy: -1288.330 where: short stacking energy: -569.335 Base-Backbone interact. energy: -4.512 local terms energy: -597.296867 where: bonds (distance) C4'-P energy: -105.231 bonds (distance) P-C4' energy: -114.779 flat angles C4'-P-C4' energy: -130.429 flat angles P-C4'-P energy: -86.392 tors. eta vs tors. theta energy: -160.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1790.501391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.501391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.501391 (E_RNA) where: Base-Base interactions energy: -1186.651 where: short stacking energy: -541.708 Base-Backbone interact. energy: -3.373 local terms energy: -600.478067 where: bonds (distance) C4'-P energy: -107.266 bonds (distance) P-C4' energy: -118.355 flat angles C4'-P-C4' energy: -142.323 flat angles P-C4'-P energy: -77.880 tors. eta vs tors. theta energy: -154.655 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: 9 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1736.367924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.367924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.367924 (E_RNA) where: Base-Base interactions energy: -1141.399 where: short stacking energy: -503.977 Base-Backbone interact. energy: -1.644 local terms energy: -593.324515 where: bonds (distance) C4'-P energy: -119.436 bonds (distance) P-C4' energy: -122.512 flat angles C4'-P-C4' energy: -130.174 flat angles P-C4'-P energy: -83.411 tors. eta vs tors. theta energy: -137.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1612.707285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.707285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.707285 (E_RNA) where: Base-Base interactions energy: -1079.161 where: short stacking energy: -491.981 Base-Backbone interact. energy: -1.827 local terms energy: -531.719903 where: bonds (distance) C4'-P energy: -81.721 bonds (distance) P-C4' energy: -113.976 flat angles C4'-P-C4' energy: -121.614 flat angles P-C4'-P energy: -80.414 tors. eta vs tors. theta energy: -133.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1324.147429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.147429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.147429 (E_RNA) where: Base-Base interactions energy: -823.606 where: short stacking energy: -408.089 Base-Backbone interact. energy: -2.670 local terms energy: -497.871875 where: bonds (distance) C4'-P energy: -121.641 bonds (distance) P-C4' energy: -112.491 flat angles C4'-P-C4' energy: -113.584 flat angles P-C4'-P energy: -56.559 tors. eta vs tors. theta energy: -93.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1236.413848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.413848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.413848 (E_RNA) where: Base-Base interactions energy: -801.796 where: short stacking energy: -366.454 Base-Backbone interact. energy: 2.650 local terms energy: -437.268523 where: bonds (distance) C4'-P energy: -92.071 bonds (distance) P-C4' energy: -113.396 flat angles C4'-P-C4' energy: -100.527 flat angles P-C4'-P energy: -61.252 tors. eta vs tors. theta energy: -70.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -844.633699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.633699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.633699 (E_RNA) where: Base-Base interactions energy: -480.321 where: short stacking energy: -246.632 Base-Backbone interact. energy: -4.687 local terms energy: -359.625081 where: bonds (distance) C4'-P energy: -88.662 bonds (distance) P-C4' energy: -106.196 flat angles C4'-P-C4' energy: -85.407 flat angles P-C4'-P energy: -64.371 tors. eta vs tors. theta energy: -14.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -550.496979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.496979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.496979 (E_RNA) where: Base-Base interactions energy: -211.208 where: short stacking energy: -137.662 Base-Backbone interact. energy: -1.679 local terms energy: -337.610504 where: bonds (distance) C4'-P energy: -93.474 bonds (distance) P-C4' energy: -107.677 flat angles C4'-P-C4' energy: -98.887 flat angles P-C4'-P energy: -66.184 tors. eta vs tors. theta energy: 28.612 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: 7 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2136.584096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.584096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.584096 (E_RNA) where: Base-Base interactions energy: -1495.262 where: short stacking energy: -611.524 Base-Backbone interact. energy: 1.655 local terms energy: -642.977730 where: bonds (distance) C4'-P energy: -130.741 bonds (distance) P-C4' energy: -120.368 flat angles C4'-P-C4' energy: -136.028 flat angles P-C4'-P energy: -89.136 tors. eta vs tors. theta energy: -166.706 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: 2, replica: 5 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2034.767939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.767939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.767939 (E_RNA) where: Base-Base interactions energy: -1422.897 where: short stacking energy: -576.629 Base-Backbone interact. energy: -1.313 local terms energy: -610.558580 where: bonds (distance) C4'-P energy: -110.976 bonds (distance) P-C4' energy: -114.098 flat angles C4'-P-C4' energy: -131.499 flat angles P-C4'-P energy: -101.331 tors. eta vs tors. theta energy: -152.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1937.572008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.572008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.572008 (E_RNA) where: Base-Base interactions energy: -1336.123 where: short stacking energy: -571.547 Base-Backbone interact. energy: 1.340 local terms energy: -602.789240 where: bonds (distance) C4'-P energy: -113.475 bonds (distance) P-C4' energy: -126.466 flat angles C4'-P-C4' energy: -122.315 flat angles P-C4'-P energy: -72.718 tors. eta vs tors. theta energy: -167.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1795.875579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.875579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.875579 (E_RNA) where: Base-Base interactions energy: -1212.705 where: short stacking energy: -591.622 Base-Backbone interact. energy: -1.569 local terms energy: -581.601368 where: bonds (distance) C4'-P energy: -116.562 bonds (distance) P-C4' energy: -99.414 flat angles C4'-P-C4' energy: -123.932 flat angles P-C4'-P energy: -75.140 tors. eta vs tors. theta energy: -166.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1644.715540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.715540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.715540 (E_RNA) where: Base-Base interactions energy: -1096.868 where: short stacking energy: -529.358 Base-Backbone interact. energy: -0.025 local terms energy: -547.822395 where: bonds (distance) C4'-P energy: -106.626 bonds (distance) P-C4' energy: -103.179 flat angles C4'-P-C4' energy: -111.038 flat angles P-C4'-P energy: -84.997 tors. eta vs tors. theta energy: -141.982 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: 9 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1640.901393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.901393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.901393 (E_RNA) where: Base-Base interactions energy: -1084.197 where: short stacking energy: -471.246 Base-Backbone interact. energy: -2.165 local terms energy: -554.539331 where: bonds (distance) C4'-P energy: -112.045 bonds (distance) P-C4' energy: -102.228 flat angles C4'-P-C4' energy: -116.702 flat angles P-C4'-P energy: -82.362 tors. eta vs tors. theta energy: -141.202 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: 7, replica: 1 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1352.857215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.857215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.857215 (E_RNA) where: Base-Base interactions energy: -876.868 where: short stacking energy: -416.694 Base-Backbone interact. energy: -1.095 local terms energy: -474.894976 where: bonds (distance) C4'-P energy: -81.740 bonds (distance) P-C4' energy: -108.268 flat angles C4'-P-C4' energy: -111.878 flat angles P-C4'-P energy: -74.599 tors. eta vs tors. theta energy: -98.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1175.288686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.288686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.288686 (E_RNA) where: Base-Base interactions energy: -740.637 where: short stacking energy: -358.995 Base-Backbone interact. energy: -0.278 local terms energy: -434.374210 where: bonds (distance) C4'-P energy: -99.662 bonds (distance) P-C4' energy: -100.988 flat angles C4'-P-C4' energy: -104.552 flat angles P-C4'-P energy: -50.444 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: 9, replica: 6 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -819.977542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.977542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.977542 (E_RNA) where: Base-Base interactions energy: -456.555 where: short stacking energy: -221.979 Base-Backbone interact. energy: 3.331 local terms energy: -366.753481 where: bonds (distance) C4'-P energy: -104.197 bonds (distance) P-C4' energy: -97.127 flat angles C4'-P-C4' energy: -90.245 flat angles P-C4'-P energy: -55.774 tors. eta vs tors. theta energy: -19.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -576.191965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.191965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.191965 (E_RNA) where: Base-Base interactions energy: -276.427 where: short stacking energy: -172.492 Base-Backbone interact. energy: 6.438 local terms energy: -306.202361 where: bonds (distance) C4'-P energy: -110.118 bonds (distance) P-C4' energy: -106.118 flat angles C4'-P-C4' energy: -67.368 flat angles P-C4'-P energy: -36.044 tors. eta vs tors. theta energy: 13.445 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: 1, replica: 7 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2144.745923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.745923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.745923 (E_RNA) where: Base-Base interactions energy: -1505.884 where: short stacking energy: -638.150 Base-Backbone interact. energy: -3.301 local terms energy: -635.560193 where: bonds (distance) C4'-P energy: -112.916 bonds (distance) P-C4' energy: -125.277 flat angles C4'-P-C4' energy: -134.001 flat angles P-C4'-P energy: -95.455 tors. eta vs tors. theta energy: -167.910 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: 2, replica: 5 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2070.005487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.005487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.005487 (E_RNA) where: Base-Base interactions energy: -1443.116 where: short stacking energy: -618.123 Base-Backbone interact. energy: -2.167 local terms energy: -624.721694 where: bonds (distance) C4'-P energy: -115.318 bonds (distance) P-C4' energy: -117.113 flat angles C4'-P-C4' energy: -138.331 flat angles P-C4'-P energy: -80.518 tors. eta vs tors. theta energy: -173.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1905.284652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.284652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.284652 (E_RNA) where: Base-Base interactions energy: -1276.078 where: short stacking energy: -567.792 Base-Backbone interact. energy: -2.540 local terms energy: -626.666476 where: bonds (distance) C4'-P energy: -126.020 bonds (distance) P-C4' energy: -103.272 flat angles C4'-P-C4' energy: -135.255 flat angles P-C4'-P energy: -95.217 tors. eta vs tors. theta energy: -166.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1818.510827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.510827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.510827 (E_RNA) where: Base-Base interactions energy: -1207.646 where: short stacking energy: -573.443 Base-Backbone interact. energy: -2.908 local terms energy: -607.956419 where: bonds (distance) C4'-P energy: -100.331 bonds (distance) P-C4' energy: -117.053 flat angles C4'-P-C4' energy: -117.588 flat angles P-C4'-P energy: -103.705 tors. eta vs tors. theta energy: -169.280 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: 5, replica: 8 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1677.325594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.325594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.325594 (E_RNA) where: Base-Base interactions energy: -1133.851 where: short stacking energy: -535.687 Base-Backbone interact. energy: -4.982 local terms energy: -538.492929 where: bonds (distance) C4'-P energy: -98.293 bonds (distance) P-C4' energy: -112.165 flat angles C4'-P-C4' energy: -117.892 flat angles P-C4'-P energy: -80.447 tors. eta vs tors. theta energy: -129.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1657.406500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.406500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.406500 (E_RNA) where: Base-Base interactions energy: -1109.804 where: short stacking energy: -506.807 Base-Backbone interact. energy: -0.658 local terms energy: -546.944016 where: bonds (distance) C4'-P energy: -111.483 bonds (distance) P-C4' energy: -113.429 flat angles C4'-P-C4' energy: -117.243 flat angles P-C4'-P energy: -63.712 tors. eta vs tors. theta energy: -141.077 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: 1 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1384.930353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.930353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.930353 (E_RNA) where: Base-Base interactions energy: -894.406 where: short stacking energy: -400.379 Base-Backbone interact. energy: 5.009 local terms energy: -495.533138 where: bonds (distance) C4'-P energy: -108.488 bonds (distance) P-C4' energy: -100.579 flat angles C4'-P-C4' energy: -128.789 flat angles P-C4'-P energy: -66.666 tors. eta vs tors. theta energy: -91.010 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: 10 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1159.753678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.753678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.753678 (E_RNA) where: Base-Base interactions energy: -707.161 where: short stacking energy: -298.987 Base-Backbone interact. energy: -1.555 local terms energy: -451.037960 where: bonds (distance) C4'-P energy: -113.774 bonds (distance) P-C4' energy: -110.524 flat angles C4'-P-C4' energy: -104.643 flat angles P-C4'-P energy: -61.741 tors. eta vs tors. theta energy: -60.356 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: 9, replica: 6 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -855.424183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.424183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.424183 (E_RNA) where: Base-Base interactions energy: -487.128 where: short stacking energy: -271.851 Base-Backbone interact. energy: -1.163 local terms energy: -367.133238 where: bonds (distance) C4'-P energy: -92.796 bonds (distance) P-C4' energy: -96.892 flat angles C4'-P-C4' energy: -95.446 flat angles P-C4'-P energy: -49.192 tors. eta vs tors. theta energy: -32.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -566.366276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.366276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.366276 (E_RNA) where: Base-Base interactions energy: -260.805 where: short stacking energy: -158.222 Base-Backbone interact. energy: 3.846 local terms energy: -309.406640 where: bonds (distance) C4'-P energy: -100.727 bonds (distance) P-C4' energy: -107.830 flat angles C4'-P-C4' energy: -90.355 flat angles P-C4'-P energy: -15.888 tors. eta vs tors. theta energy: 5.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2122.377264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.377264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.377264 (E_RNA) where: Base-Base interactions energy: -1458.477 where: short stacking energy: -613.845 Base-Backbone interact. energy: -0.990 local terms energy: -662.909486 where: bonds (distance) C4'-P energy: -131.952 bonds (distance) P-C4' energy: -118.808 flat angles C4'-P-C4' energy: -152.914 flat angles P-C4'-P energy: -97.758 tors. eta vs tors. theta energy: -161.478 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: 5 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2046.032138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.032138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.032138 (E_RNA) where: Base-Base interactions energy: -1446.229 where: short stacking energy: -582.915 Base-Backbone interact. energy: 9.910 local terms energy: -609.713288 where: bonds (distance) C4'-P energy: -109.047 bonds (distance) P-C4' energy: -125.993 flat angles C4'-P-C4' energy: -131.045 flat angles P-C4'-P energy: -87.023 tors. eta vs tors. theta energy: -156.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1933.865998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.865998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.865998 (E_RNA) where: Base-Base interactions energy: -1330.650 where: short stacking energy: -563.977 Base-Backbone interact. energy: -4.087 local terms energy: -599.129458 where: bonds (distance) C4'-P energy: -113.078 bonds (distance) P-C4' energy: -111.216 flat angles C4'-P-C4' energy: -124.988 flat angles P-C4'-P energy: -86.345 tors. eta vs tors. theta energy: -163.503 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: 2 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1792.110841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.110841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.110841 (E_RNA) where: Base-Base interactions energy: -1202.773 where: short stacking energy: -550.358 Base-Backbone interact. energy: 0.524 local terms energy: -589.861765 where: bonds (distance) C4'-P energy: -106.718 bonds (distance) P-C4' energy: -115.252 flat angles C4'-P-C4' energy: -131.494 flat angles P-C4'-P energy: -86.776 tors. eta vs tors. theta energy: -149.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1689.563708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.563708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.563708 (E_RNA) where: Base-Base interactions energy: -1138.437 where: short stacking energy: -546.105 Base-Backbone interact. energy: 0.166 local terms energy: -551.293110 where: bonds (distance) C4'-P energy: -100.973 bonds (distance) P-C4' energy: -107.505 flat angles C4'-P-C4' energy: -118.424 flat angles P-C4'-P energy: -86.064 tors. eta vs tors. theta energy: -138.327 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: 6, replica: 9 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1549.642047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.642047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.642047 (E_RNA) where: Base-Base interactions energy: -1051.969 where: short stacking energy: -480.073 Base-Backbone interact. energy: -1.781 local terms energy: -495.891888 where: bonds (distance) C4'-P energy: -106.289 bonds (distance) P-C4' energy: -107.189 flat angles C4'-P-C4' energy: -110.468 flat angles P-C4'-P energy: -52.347 tors. eta vs tors. theta energy: -119.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1432.829061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.829061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.829061 (E_RNA) where: Base-Base interactions energy: -954.620 where: short stacking energy: -415.499 Base-Backbone interact. energy: -3.796 local terms energy: -474.413153 where: bonds (distance) C4'-P energy: -95.243 bonds (distance) P-C4' energy: -96.700 flat angles C4'-P-C4' energy: -117.193 flat angles P-C4'-P energy: -66.326 tors. eta vs tors. theta energy: -98.952 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: 10 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1209.650039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.650039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.650039 (E_RNA) where: Base-Base interactions energy: -805.963 where: short stacking energy: -369.372 Base-Backbone interact. energy: -2.706 local terms energy: -400.981462 where: bonds (distance) C4'-P energy: -82.892 bonds (distance) P-C4' energy: -87.950 flat angles C4'-P-C4' energy: -90.561 flat angles P-C4'-P energy: -67.892 tors. eta vs tors. theta energy: -71.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -867.038735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.038735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.038735 (E_RNA) where: Base-Base interactions energy: -495.603 where: short stacking energy: -256.835 Base-Backbone interact. energy: -0.340 local terms energy: -371.095324 where: bonds (distance) C4'-P energy: -89.379 bonds (distance) P-C4' energy: -103.725 flat angles C4'-P-C4' energy: -93.284 flat angles P-C4'-P energy: -47.997 tors. eta vs tors. theta energy: -36.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -537.487493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.487493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.487493 (E_RNA) where: Base-Base interactions energy: -213.416 where: short stacking energy: -138.648 Base-Backbone interact. energy: -1.440 local terms energy: -322.631276 where: bonds (distance) C4'-P energy: -96.107 bonds (distance) P-C4' energy: -102.539 flat angles C4'-P-C4' energy: -81.424 flat angles P-C4'-P energy: -67.243 tors. eta vs tors. theta energy: 24.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2127.075354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.075354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.075354 (E_RNA) where: Base-Base interactions energy: -1485.149 where: short stacking energy: -619.551 Base-Backbone interact. energy: -3.589 local terms energy: -638.337421 where: bonds (distance) C4'-P energy: -119.268 bonds (distance) P-C4' energy: -125.822 flat angles C4'-P-C4' energy: -132.297 flat angles P-C4'-P energy: -84.700 tors. eta vs tors. theta energy: -176.249 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: 2, replica: 5 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2049.071047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.071047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.071047 (E_RNA) where: Base-Base interactions energy: -1428.153 where: short stacking energy: -594.578 Base-Backbone interact. energy: -2.194 local terms energy: -618.724073 where: bonds (distance) C4'-P energy: -116.796 bonds (distance) P-C4' energy: -128.266 flat angles C4'-P-C4' energy: -141.331 flat angles P-C4'-P energy: -73.097 tors. eta vs tors. theta energy: -159.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1945.066959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.066959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.066959 (E_RNA) where: Base-Base interactions energy: -1317.908 where: short stacking energy: -584.783 Base-Backbone interact. energy: -0.625 local terms energy: -626.534456 where: bonds (distance) C4'-P energy: -111.922 bonds (distance) P-C4' energy: -125.893 flat angles C4'-P-C4' energy: -135.770 flat angles P-C4'-P energy: -91.834 tors. eta vs tors. theta energy: -161.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1774.339609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.339609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.339609 (E_RNA) where: Base-Base interactions energy: -1184.133 where: short stacking energy: -561.782 Base-Backbone interact. energy: -0.975 local terms energy: -589.232175 where: bonds (distance) C4'-P energy: -104.129 bonds (distance) P-C4' energy: -112.847 flat angles C4'-P-C4' energy: -125.604 flat angles P-C4'-P energy: -93.568 tors. eta vs tors. theta energy: -153.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1643.171886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.171886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.171886 (E_RNA) where: Base-Base interactions energy: -1095.437 where: short stacking energy: -522.291 Base-Backbone interact. energy: -2.591 local terms energy: -545.144651 where: bonds (distance) C4'-P energy: -89.503 bonds (distance) P-C4' energy: -113.089 flat angles C4'-P-C4' energy: -122.926 flat angles P-C4'-P energy: -91.864 tors. eta vs tors. theta energy: -127.763 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: 6, replica: 1 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1447.105818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.105818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.105818 (E_RNA) where: Base-Base interactions energy: -913.063 where: short stacking energy: -454.144 Base-Backbone interact. energy: -1.518 local terms energy: -532.524497 where: bonds (distance) C4'-P energy: -105.963 bonds (distance) P-C4' energy: -114.299 flat angles C4'-P-C4' energy: -117.158 flat angles P-C4'-P energy: -68.156 tors. eta vs tors. theta energy: -126.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1464.651190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.651190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.651190 (E_RNA) where: Base-Base interactions energy: -956.044 where: short stacking energy: -436.550 Base-Backbone interact. energy: -5.258 local terms energy: -503.348966 where: bonds (distance) C4'-P energy: -93.104 bonds (distance) P-C4' energy: -122.309 flat angles C4'-P-C4' energy: -110.313 flat angles P-C4'-P energy: -78.087 tors. eta vs tors. theta energy: -99.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1171.089235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.089235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.089235 (E_RNA) where: Base-Base interactions energy: -734.859 where: short stacking energy: -362.925 Base-Backbone interact. energy: -2.108 local terms energy: -434.122972 where: bonds (distance) C4'-P energy: -95.783 bonds (distance) P-C4' energy: -97.562 flat angles C4'-P-C4' energy: -100.661 flat angles P-C4'-P energy: -61.919 tors. eta vs tors. theta energy: -78.199 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: 9, replica: 6 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -899.699789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.699789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.699789 (E_RNA) where: Base-Base interactions energy: -512.755 where: short stacking energy: -263.824 Base-Backbone interact. energy: 0.917 local terms energy: -387.862038 where: bonds (distance) C4'-P energy: -91.799 bonds (distance) P-C4' energy: -120.424 flat angles C4'-P-C4' energy: -83.897 flat angles P-C4'-P energy: -57.872 tors. eta vs tors. theta energy: -33.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -607.022838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.022838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.022838 (E_RNA) where: Base-Base interactions energy: -283.931 where: short stacking energy: -158.766 Base-Backbone interact. energy: -0.992 local terms energy: -322.099419 where: bonds (distance) C4'-P energy: -82.235 bonds (distance) P-C4' energy: -102.946 flat angles C4'-P-C4' energy: -88.597 flat angles P-C4'-P energy: -57.006 tors. eta vs tors. theta energy: 8.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2149.876342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.876342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.876342 (E_RNA) where: Base-Base interactions energy: -1490.771 where: short stacking energy: -644.245 Base-Backbone interact. energy: -3.433 local terms energy: -655.673036 where: bonds (distance) C4'-P energy: -119.653 bonds (distance) P-C4' energy: -131.374 flat angles C4'-P-C4' energy: -131.799 flat angles P-C4'-P energy: -100.868 tors. eta vs tors. theta energy: -171.980 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: 5 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2064.878269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.878269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.878269 (E_RNA) where: Base-Base interactions energy: -1426.786 where: short stacking energy: -605.591 Base-Backbone interact. energy: -2.889 local terms energy: -635.203944 where: bonds (distance) C4'-P energy: -126.337 bonds (distance) P-C4' energy: -130.367 flat angles C4'-P-C4' energy: -139.630 flat angles P-C4'-P energy: -76.530 tors. eta vs tors. theta energy: -162.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1947.285472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.285472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.285472 (E_RNA) where: Base-Base interactions energy: -1343.381 where: short stacking energy: -566.103 Base-Backbone interact. energy: -0.583 local terms energy: -603.321491 where: bonds (distance) C4'-P energy: -109.568 bonds (distance) P-C4' energy: -121.477 flat angles C4'-P-C4' energy: -125.325 flat angles P-C4'-P energy: -75.868 tors. eta vs tors. theta energy: -171.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1808.517277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.517277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.517277 (E_RNA) where: Base-Base interactions energy: -1214.046 where: short stacking energy: -573.599 Base-Backbone interact. energy: 0.488 local terms energy: -594.959020 where: bonds (distance) C4'-P energy: -109.785 bonds (distance) P-C4' energy: -111.576 flat angles C4'-P-C4' energy: -131.617 flat angles P-C4'-P energy: -79.064 tors. eta vs tors. theta energy: -162.918 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: 8 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1631.461458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.461458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.461458 (E_RNA) where: Base-Base interactions energy: -1061.459 where: short stacking energy: -495.096 Base-Backbone interact. energy: -2.064 local terms energy: -567.938705 where: bonds (distance) C4'-P energy: -112.126 bonds (distance) P-C4' energy: -119.828 flat angles C4'-P-C4' energy: -118.015 flat angles P-C4'-P energy: -81.989 tors. eta vs tors. theta energy: -135.982 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: 1 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1525.085259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.085259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.085259 (E_RNA) where: Base-Base interactions energy: -1003.623 where: short stacking energy: -448.900 Base-Backbone interact. energy: 2.561 local terms energy: -524.023105 where: bonds (distance) C4'-P energy: -119.831 bonds (distance) P-C4' energy: -100.379 flat angles C4'-P-C4' energy: -116.343 flat angles P-C4'-P energy: -78.106 tors. eta vs tors. theta energy: -109.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1522.598320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.598320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.598320 (E_RNA) where: Base-Base interactions energy: -1044.956 where: short stacking energy: -452.575 Base-Backbone interact. energy: 3.622 local terms energy: -481.265056 where: bonds (distance) C4'-P energy: -96.115 bonds (distance) P-C4' energy: -94.144 flat angles C4'-P-C4' energy: -102.627 flat angles P-C4'-P energy: -86.454 tors. eta vs tors. theta energy: -101.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1130.074460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.074460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.074460 (E_RNA) where: Base-Base interactions energy: -691.000 where: short stacking energy: -342.603 Base-Backbone interact. energy: -0.261 local terms energy: -438.813378 where: bonds (distance) C4'-P energy: -104.226 bonds (distance) P-C4' energy: -112.137 flat angles C4'-P-C4' energy: -101.371 flat angles P-C4'-P energy: -63.481 tors. eta vs tors. theta energy: -57.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -872.934442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.934442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.934442 (E_RNA) where: Base-Base interactions energy: -466.755 where: short stacking energy: -247.322 Base-Backbone interact. energy: 3.798 local terms energy: -409.977506 where: bonds (distance) C4'-P energy: -109.081 bonds (distance) P-C4' energy: -101.585 flat angles C4'-P-C4' energy: -109.652 flat angles P-C4'-P energy: -54.473 tors. eta vs tors. theta energy: -35.187 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: 4 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -608.452838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.452838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.452838 (E_RNA) where: Base-Base interactions energy: -311.290 where: short stacking energy: -192.193 Base-Backbone interact. energy: 1.500 local terms energy: -298.662047 where: bonds (distance) C4'-P energy: -101.641 bonds (distance) P-C4' energy: -106.025 flat angles C4'-P-C4' energy: -62.651 flat angles P-C4'-P energy: -42.861 tors. eta vs tors. theta energy: 14.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2164.427385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.427385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.427385 (E_RNA) where: Base-Base interactions energy: -1506.581 where: short stacking energy: -626.377 Base-Backbone interact. energy: -4.028 local terms energy: -653.818087 where: bonds (distance) C4'-P energy: -127.919 bonds (distance) P-C4' energy: -130.731 flat angles C4'-P-C4' energy: -131.590 flat angles P-C4'-P energy: -93.399 tors. eta vs tors. theta energy: -170.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2071.255554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.255554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.255554 (E_RNA) where: Base-Base interactions energy: -1447.476 where: short stacking energy: -603.424 Base-Backbone interact. energy: -0.405 local terms energy: -623.374565 where: bonds (distance) C4'-P energy: -115.506 bonds (distance) P-C4' energy: -120.821 flat angles C4'-P-C4' energy: -134.828 flat angles P-C4'-P energy: -88.270 tors. eta vs tors. theta energy: -163.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1951.765457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.765457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.765457 (E_RNA) where: Base-Base interactions energy: -1358.780 where: short stacking energy: -588.682 Base-Backbone interact. energy: -0.359 local terms energy: -592.626393 where: bonds (distance) C4'-P energy: -115.285 bonds (distance) P-C4' energy: -99.986 flat angles C4'-P-C4' energy: -125.174 flat angles P-C4'-P energy: -87.133 tors. eta vs tors. theta energy: -165.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1786.013249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.013249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.013249 (E_RNA) where: Base-Base interactions energy: -1196.375 where: short stacking energy: -531.466 Base-Backbone interact. energy: -3.242 local terms energy: -586.396251 where: bonds (distance) C4'-P energy: -102.450 bonds (distance) P-C4' energy: -123.246 flat angles C4'-P-C4' energy: -116.312 flat angles P-C4'-P energy: -90.942 tors. eta vs tors. theta energy: -153.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1663.359893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.359893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.359893 (E_RNA) where: Base-Base interactions energy: -1095.461 where: short stacking energy: -477.779 Base-Backbone interact. energy: -0.526 local terms energy: -567.373716 where: bonds (distance) C4'-P energy: -125.148 bonds (distance) P-C4' energy: -104.007 flat angles C4'-P-C4' energy: -127.211 flat angles P-C4'-P energy: -84.322 tors. eta vs tors. theta energy: -126.686 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: 9 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1642.934247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.934247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.934247 (E_RNA) where: Base-Base interactions energy: -1096.245 where: short stacking energy: -498.810 Base-Backbone interact. energy: -2.519 local terms energy: -544.170546 where: bonds (distance) C4'-P energy: -110.383 bonds (distance) P-C4' energy: -108.253 flat angles C4'-P-C4' energy: -126.981 flat angles P-C4'-P energy: -72.494 tors. eta vs tors. theta energy: -126.060 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: 1 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1455.434255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.434255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.434255 (E_RNA) where: Base-Base interactions energy: -970.792 where: short stacking energy: -438.526 Base-Backbone interact. energy: 2.360 local terms energy: -487.002613 where: bonds (distance) C4'-P energy: -111.121 bonds (distance) P-C4' energy: -105.598 flat angles C4'-P-C4' energy: -102.833 flat angles P-C4'-P energy: -57.441 tors. eta vs tors. theta energy: -110.011 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: 10 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1172.405654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.405654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.405654 (E_RNA) where: Base-Base interactions energy: -727.643 where: short stacking energy: -373.155 Base-Backbone interact. energy: -0.201 local terms energy: -444.562073 where: bonds (distance) C4'-P energy: -96.611 bonds (distance) P-C4' energy: -102.929 flat angles C4'-P-C4' energy: -106.791 flat angles P-C4'-P energy: -64.315 tors. eta vs tors. theta energy: -73.915 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: 6 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -912.091750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.091750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.091750 (E_RNA) where: Base-Base interactions energy: -544.456 where: short stacking energy: -265.577 Base-Backbone interact. energy: 0.903 local terms energy: -368.539228 where: bonds (distance) C4'-P energy: -84.416 bonds (distance) P-C4' energy: -97.043 flat angles C4'-P-C4' energy: -100.695 flat angles P-C4'-P energy: -57.702 tors. eta vs tors. theta energy: -28.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -632.045113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.045113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.045113 (E_RNA) where: Base-Base interactions energy: -298.382 where: short stacking energy: -178.714 Base-Backbone interact. energy: 3.579 local terms energy: -337.241419 where: bonds (distance) C4'-P energy: -88.663 bonds (distance) P-C4' energy: -128.936 flat angles C4'-P-C4' energy: -73.168 flat angles P-C4'-P energy: -48.078 tors. eta vs tors. theta energy: 1.603 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: 1, replica: 7 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2123.911600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.911600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.911600 (E_RNA) where: Base-Base interactions energy: -1460.816 where: short stacking energy: -614.960 Base-Backbone interact. energy: -4.041 local terms energy: -659.054254 where: bonds (distance) C4'-P energy: -119.992 bonds (distance) P-C4' energy: -124.650 flat angles C4'-P-C4' energy: -144.897 flat angles P-C4'-P energy: -94.943 tors. eta vs tors. theta energy: -174.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2034.117567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.117567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.117567 (E_RNA) where: Base-Base interactions energy: -1406.806 where: short stacking energy: -584.354 Base-Backbone interact. energy: -2.147 local terms energy: -625.165234 where: bonds (distance) C4'-P energy: -115.631 bonds (distance) P-C4' energy: -118.465 flat angles C4'-P-C4' energy: -137.977 flat angles P-C4'-P energy: -93.724 tors. eta vs tors. theta energy: -159.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1923.811910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.811910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.811910 (E_RNA) where: Base-Base interactions energy: -1312.704 where: short stacking energy: -577.136 Base-Backbone interact. energy: -2.484 local terms energy: -608.623193 where: bonds (distance) C4'-P energy: -108.099 bonds (distance) P-C4' energy: -122.700 flat angles C4'-P-C4' energy: -132.593 flat angles P-C4'-P energy: -80.497 tors. eta vs tors. theta energy: -164.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1856.914175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.914175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.914175 (E_RNA) where: Base-Base interactions energy: -1261.114 where: short stacking energy: -535.823 Base-Backbone interact. energy: -2.525 local terms energy: -593.274352 where: bonds (distance) C4'-P energy: -111.878 bonds (distance) P-C4' energy: -111.090 flat angles C4'-P-C4' energy: -120.177 flat angles P-C4'-P energy: -93.452 tors. eta vs tors. theta energy: -156.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1669.808648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.808648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.808648 (E_RNA) where: Base-Base interactions energy: -1094.038 where: short stacking energy: -490.299 Base-Backbone interact. energy: -2.512 local terms energy: -573.259046 where: bonds (distance) C4'-P energy: -114.157 bonds (distance) P-C4' energy: -127.869 flat angles C4'-P-C4' energy: -124.924 flat angles P-C4'-P energy: -79.932 tors. eta vs tors. theta energy: -126.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1555.525995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.525995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.525995 (E_RNA) where: Base-Base interactions energy: -1043.788 where: short stacking energy: -460.699 Base-Backbone interact. energy: 2.279 local terms energy: -514.016734 where: bonds (distance) C4'-P energy: -93.659 bonds (distance) P-C4' energy: -105.974 flat angles C4'-P-C4' energy: -123.358 flat angles P-C4'-P energy: -70.883 tors. eta vs tors. theta energy: -120.143 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: 7, replica: 1 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1416.550753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.550753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.550753 (E_RNA) where: Base-Base interactions energy: -929.510 where: short stacking energy: -415.586 Base-Backbone interact. energy: -0.502 local terms energy: -486.538404 where: bonds (distance) C4'-P energy: -101.975 bonds (distance) P-C4' energy: -112.846 flat angles C4'-P-C4' energy: -107.922 flat angles P-C4'-P energy: -72.199 tors. eta vs tors. theta energy: -91.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1173.332638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.332638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.332638 (E_RNA) where: Base-Base interactions energy: -705.394 where: short stacking energy: -333.752 Base-Backbone interact. energy: -3.005 local terms energy: -464.933936 where: bonds (distance) C4'-P energy: -112.716 bonds (distance) P-C4' energy: -105.034 flat angles C4'-P-C4' energy: -103.213 flat angles P-C4'-P energy: -84.373 tors. eta vs tors. theta energy: -59.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -956.757211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.757211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.757211 (E_RNA) where: Base-Base interactions energy: -577.725 where: short stacking energy: -288.930 Base-Backbone interact. energy: 3.404 local terms energy: -382.435840 where: bonds (distance) C4'-P energy: -86.030 bonds (distance) P-C4' energy: -103.599 flat angles C4'-P-C4' energy: -91.707 flat angles P-C4'-P energy: -58.531 tors. eta vs tors. theta energy: -42.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -608.025651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.025651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.025651 (E_RNA) where: Base-Base interactions energy: -280.978 where: short stacking energy: -218.378 Base-Backbone interact. energy: 0.427 local terms energy: -327.474170 where: bonds (distance) C4'-P energy: -82.704 bonds (distance) P-C4' energy: -93.775 flat angles C4'-P-C4' energy: -100.044 flat angles P-C4'-P energy: -57.590 tors. eta vs tors. theta energy: 6.640 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: 7 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2100.277230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.277230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.277230 (E_RNA) where: Base-Base interactions energy: -1448.022 where: short stacking energy: -621.591 Base-Backbone interact. energy: -2.100 local terms energy: -650.155705 where: bonds (distance) C4'-P energy: -134.941 bonds (distance) P-C4' energy: -113.892 flat angles C4'-P-C4' energy: -133.628 flat angles P-C4'-P energy: -90.065 tors. eta vs tors. theta energy: -177.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2028.034475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.034475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.034475 (E_RNA) where: Base-Base interactions energy: -1407.625 where: short stacking energy: -599.267 Base-Backbone interact. energy: -1.082 local terms energy: -619.327403 where: bonds (distance) C4'-P energy: -122.453 bonds (distance) P-C4' energy: -117.504 flat angles C4'-P-C4' energy: -138.003 flat angles P-C4'-P energy: -79.450 tors. eta vs tors. theta energy: -161.917 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: 3 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1942.586298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.586298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.586298 (E_RNA) where: Base-Base interactions energy: -1324.486 where: short stacking energy: -580.123 Base-Backbone interact. energy: -3.585 local terms energy: -614.515299 where: bonds (distance) C4'-P energy: -110.049 bonds (distance) P-C4' energy: -118.695 flat angles C4'-P-C4' energy: -137.939 flat angles P-C4'-P energy: -82.949 tors. eta vs tors. theta energy: -164.884 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: 4, replica: 2 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1852.366839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.366839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.366839 (E_RNA) where: Base-Base interactions energy: -1247.203 where: short stacking energy: -581.350 Base-Backbone interact. energy: -5.997 local terms energy: -599.165951 where: bonds (distance) C4'-P energy: -122.703 bonds (distance) P-C4' energy: -108.713 flat angles C4'-P-C4' energy: -128.615 flat angles P-C4'-P energy: -77.431 tors. eta vs tors. theta energy: -161.704 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: 8 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1698.722639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.722639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.722639 (E_RNA) where: Base-Base interactions energy: -1111.889 where: short stacking energy: -519.370 Base-Backbone interact. energy: -1.426 local terms energy: -585.407583 where: bonds (distance) C4'-P energy: -100.429 bonds (distance) P-C4' energy: -121.358 flat angles C4'-P-C4' energy: -133.372 flat angles P-C4'-P energy: -85.695 tors. eta vs tors. theta energy: -144.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1576.417956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.417956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.417956 (E_RNA) where: Base-Base interactions energy: -1052.300 where: short stacking energy: -466.178 Base-Backbone interact. energy: -4.554 local terms energy: -519.564199 where: bonds (distance) C4'-P energy: -111.975 bonds (distance) P-C4' energy: -111.145 flat angles C4'-P-C4' energy: -117.555 flat angles P-C4'-P energy: -69.230 tors. eta vs tors. theta energy: -109.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1344.101006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.101006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.101006 (E_RNA) where: Base-Base interactions energy: -861.713 where: short stacking energy: -396.790 Base-Backbone interact. energy: -1.279 local terms energy: -481.108916 where: bonds (distance) C4'-P energy: -95.611 bonds (distance) P-C4' energy: -109.369 flat angles C4'-P-C4' energy: -121.150 flat angles P-C4'-P energy: -66.554 tors. eta vs tors. theta energy: -88.424 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: 10 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1187.865212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.865212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.865212 (E_RNA) where: Base-Base interactions energy: -743.873 where: short stacking energy: -342.080 Base-Backbone interact. energy: 5.810 local terms energy: -449.801735 where: bonds (distance) C4'-P energy: -95.584 bonds (distance) P-C4' energy: -103.449 flat angles C4'-P-C4' energy: -107.655 flat angles P-C4'-P energy: -71.749 tors. eta vs tors. theta energy: -71.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -928.142062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.142062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.142062 (E_RNA) where: Base-Base interactions energy: -545.745 where: short stacking energy: -283.292 Base-Backbone interact. energy: -0.554 local terms energy: -381.842345 where: bonds (distance) C4'-P energy: -95.965 bonds (distance) P-C4' energy: -96.966 flat angles C4'-P-C4' energy: -90.178 flat angles P-C4'-P energy: -59.245 tors. eta vs tors. theta energy: -39.488 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: 4 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -574.100715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.100715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.100715 (E_RNA) where: Base-Base interactions energy: -246.639 where: short stacking energy: -165.381 Base-Backbone interact. energy: 5.164 local terms energy: -332.626006 where: bonds (distance) C4'-P energy: -89.974 bonds (distance) P-C4' energy: -96.971 flat angles C4'-P-C4' energy: -87.651 flat angles P-C4'-P energy: -53.834 tors. eta vs tors. theta energy: -4.195 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: 7 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2130.077296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.077296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.077296 (E_RNA) where: Base-Base interactions energy: -1458.109 where: short stacking energy: -626.749 Base-Backbone interact. energy: -4.091 local terms energy: -667.877584 where: bonds (distance) C4'-P energy: -125.137 bonds (distance) P-C4' energy: -123.348 flat angles C4'-P-C4' energy: -155.905 flat angles P-C4'-P energy: -96.798 tors. eta vs tors. theta energy: -166.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2042.490907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.490907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.490907 (E_RNA) where: Base-Base interactions energy: -1415.285 where: short stacking energy: -617.092 Base-Backbone interact. energy: -3.731 local terms energy: -623.474832 where: bonds (distance) C4'-P energy: -107.684 bonds (distance) P-C4' energy: -123.061 flat angles C4'-P-C4' energy: -130.054 flat angles P-C4'-P energy: -86.903 tors. eta vs tors. theta energy: -175.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1919.812331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.812331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.812331 (E_RNA) where: Base-Base interactions energy: -1315.373 where: short stacking energy: -560.241 Base-Backbone interact. energy: -0.345 local terms energy: -604.094582 where: bonds (distance) C4'-P energy: -110.856 bonds (distance) P-C4' energy: -121.424 flat angles C4'-P-C4' energy: -135.155 flat angles P-C4'-P energy: -84.261 tors. eta vs tors. theta energy: -152.398 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: 4, replica: 2 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1823.128115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.128115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.128115 (E_RNA) where: Base-Base interactions energy: -1242.804 where: short stacking energy: -563.332 Base-Backbone interact. energy: -0.684 local terms energy: -579.640188 where: bonds (distance) C4'-P energy: -116.727 bonds (distance) P-C4' energy: -100.476 flat angles C4'-P-C4' energy: -122.701 flat angles P-C4'-P energy: -91.786 tors. eta vs tors. theta energy: -147.950 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: 5, replica: 8 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1700.162997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.162997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.162997 (E_RNA) where: Base-Base interactions energy: -1136.720 where: short stacking energy: -529.324 Base-Backbone interact. energy: 2.051 local terms energy: -565.493850 where: bonds (distance) C4'-P energy: -103.508 bonds (distance) P-C4' energy: -113.610 flat angles C4'-P-C4' energy: -130.835 flat angles P-C4'-P energy: -81.450 tors. eta vs tors. theta energy: -136.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1611.403155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.403155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.403155 (E_RNA) where: Base-Base interactions energy: -1085.839 where: short stacking energy: -482.832 Base-Backbone interact. energy: -5.290 local terms energy: -520.274895 where: bonds (distance) C4'-P energy: -104.756 bonds (distance) P-C4' energy: -98.448 flat angles C4'-P-C4' energy: -113.491 flat angles P-C4'-P energy: -80.422 tors. eta vs tors. theta energy: -123.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1315.937208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.937208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.937208 (E_RNA) where: Base-Base interactions energy: -860.350 where: short stacking energy: -391.495 Base-Backbone interact. energy: 2.570 local terms energy: -458.156783 where: bonds (distance) C4'-P energy: -92.678 bonds (distance) P-C4' energy: -108.424 flat angles C4'-P-C4' energy: -110.669 flat angles P-C4'-P energy: -59.596 tors. eta vs tors. theta energy: -86.790 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: 10 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1221.247756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.247756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.247756 (E_RNA) where: Base-Base interactions energy: -791.269 where: short stacking energy: -365.911 Base-Backbone interact. energy: -1.653 local terms energy: -428.326071 where: bonds (distance) C4'-P energy: -84.698 bonds (distance) P-C4' energy: -109.931 flat angles C4'-P-C4' energy: -108.397 flat angles P-C4'-P energy: -53.242 tors. eta vs tors. theta energy: -72.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -879.005725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.005725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.005725 (E_RNA) where: Base-Base interactions energy: -507.882 where: short stacking energy: -246.268 Base-Backbone interact. energy: -3.279 local terms energy: -367.844835 where: bonds (distance) C4'-P energy: -91.024 bonds (distance) P-C4' energy: -100.124 flat angles C4'-P-C4' energy: -95.852 flat angles P-C4'-P energy: -50.452 tors. eta vs tors. theta energy: -30.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -599.782144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.782144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.782144 (E_RNA) where: Base-Base interactions energy: -259.336 where: short stacking energy: -181.641 Base-Backbone interact. energy: -0.048 local terms energy: -340.397885 where: bonds (distance) C4'-P energy: -97.355 bonds (distance) P-C4' energy: -99.963 flat angles C4'-P-C4' energy: -69.515 flat angles P-C4'-P energy: -61.451 tors. eta vs tors. theta energy: -12.114 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: 7 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2122.060811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.060811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.060811 (E_RNA) where: Base-Base interactions energy: -1482.072 where: short stacking energy: -596.721 Base-Backbone interact. energy: -4.103 local terms energy: -635.885354 where: bonds (distance) C4'-P energy: -122.413 bonds (distance) P-C4' energy: -119.161 flat angles C4'-P-C4' energy: -133.720 flat angles P-C4'-P energy: -89.794 tors. eta vs tors. theta energy: -170.798 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: 2, replica: 5 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2032.367315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.367315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.367315 (E_RNA) where: Base-Base interactions energy: -1411.534 where: short stacking energy: -603.244 Base-Backbone interact. energy: -2.588 local terms energy: -618.245747 where: bonds (distance) C4'-P energy: -106.467 bonds (distance) P-C4' energy: -115.051 flat angles C4'-P-C4' energy: -138.552 flat angles P-C4'-P energy: -91.176 tors. eta vs tors. theta energy: -167.000 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: 3 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1932.523767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.523767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.523767 (E_RNA) where: Base-Base interactions energy: -1306.907 where: short stacking energy: -587.503 Base-Backbone interact. energy: -0.574 local terms energy: -625.042972 where: bonds (distance) C4'-P energy: -121.235 bonds (distance) P-C4' energy: -119.053 flat angles C4'-P-C4' energy: -133.328 flat angles P-C4'-P energy: -88.407 tors. eta vs tors. theta energy: -163.019 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: 2 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1899.624045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.624045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.624045 (E_RNA) where: Base-Base interactions energy: -1284.362 where: short stacking energy: -550.417 Base-Backbone interact. energy: -2.584 local terms energy: -612.677974 where: bonds (distance) C4'-P energy: -137.899 bonds (distance) P-C4' energy: -102.472 flat angles C4'-P-C4' energy: -128.055 flat angles P-C4'-P energy: -81.425 tors. eta vs tors. theta energy: -162.827 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: 8 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1642.875944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.875944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.875944 (E_RNA) where: Base-Base interactions energy: -1081.400 where: short stacking energy: -501.865 Base-Backbone interact. energy: -1.072 local terms energy: -560.403555 where: bonds (distance) C4'-P energy: -114.875 bonds (distance) P-C4' energy: -97.448 flat angles C4'-P-C4' energy: -131.118 flat angles P-C4'-P energy: -86.753 tors. eta vs tors. theta energy: -130.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1628.436677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.436677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.436677 (E_RNA) where: Base-Base interactions energy: -1092.756 where: short stacking energy: -489.769 Base-Backbone interact. energy: -4.431 local terms energy: -531.249273 where: bonds (distance) C4'-P energy: -114.178 bonds (distance) P-C4' energy: -110.802 flat angles C4'-P-C4' energy: -107.490 flat angles P-C4'-P energy: -78.769 tors. eta vs tors. theta energy: -120.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1330.561609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.561609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.561609 (E_RNA) where: Base-Base interactions energy: -846.445 where: short stacking energy: -393.932 Base-Backbone interact. energy: -1.018 local terms energy: -483.097757 where: bonds (distance) C4'-P energy: -102.835 bonds (distance) P-C4' energy: -96.156 flat angles C4'-P-C4' energy: -109.427 flat angles P-C4'-P energy: -80.505 tors. eta vs tors. theta energy: -94.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1246.004517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.004517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.004517 (E_RNA) where: Base-Base interactions energy: -798.774 where: short stacking energy: -397.567 Base-Backbone interact. energy: -2.121 local terms energy: -445.110507 where: bonds (distance) C4'-P energy: -106.830 bonds (distance) P-C4' energy: -102.312 flat angles C4'-P-C4' energy: -96.379 flat angles P-C4'-P energy: -50.643 tors. eta vs tors. theta energy: -88.946 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: 9, replica: 6 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -897.805613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.805613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.805613 (E_RNA) where: Base-Base interactions energy: -533.232 where: short stacking energy: -284.203 Base-Backbone interact. energy: 1.716 local terms energy: -366.289934 where: bonds (distance) C4'-P energy: -96.218 bonds (distance) P-C4' energy: -99.612 flat angles C4'-P-C4' energy: -98.388 flat angles P-C4'-P energy: -50.858 tors. eta vs tors. theta energy: -21.214 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: 4 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -626.033011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.033011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.033011 (E_RNA) where: Base-Base interactions energy: -290.402 where: short stacking energy: -204.668 Base-Backbone interact. energy: 1.216 local terms energy: -336.847329 where: bonds (distance) C4'-P energy: -97.214 bonds (distance) P-C4' energy: -92.790 flat angles C4'-P-C4' energy: -93.739 flat angles P-C4'-P energy: -49.175 tors. eta vs tors. theta energy: -3.929 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: 1, replica: 7 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2114.059563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.059563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.059563 (E_RNA) where: Base-Base interactions energy: -1458.865 where: short stacking energy: -623.699 Base-Backbone interact. energy: -4.416 local terms energy: -650.778582 where: bonds (distance) C4'-P energy: -130.730 bonds (distance) P-C4' energy: -128.818 flat angles C4'-P-C4' energy: -138.163 flat angles P-C4'-P energy: -87.399 tors. eta vs tors. theta energy: -165.669 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: 5 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2018.432024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.432024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.432024 (E_RNA) where: Base-Base interactions energy: -1404.810 where: short stacking energy: -626.813 Base-Backbone interact. energy: -0.229 local terms energy: -613.393907 where: bonds (distance) C4'-P energy: -114.283 bonds (distance) P-C4' energy: -108.953 flat angles C4'-P-C4' energy: -133.449 flat angles P-C4'-P energy: -78.880 tors. eta vs tors. theta energy: -177.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2029.024243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.024243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.024243 (E_RNA) where: Base-Base interactions energy: -1388.443 where: short stacking energy: -617.516 Base-Backbone interact. energy: 2.940 local terms energy: -643.521032 where: bonds (distance) C4'-P energy: -123.463 bonds (distance) P-C4' energy: -119.275 flat angles C4'-P-C4' energy: -129.952 flat angles P-C4'-P energy: -94.025 tors. eta vs tors. theta energy: -176.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1888.373644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.373644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.373644 (E_RNA) where: Base-Base interactions energy: -1262.177 where: short stacking energy: -540.501 Base-Backbone interact. energy: -0.066 local terms energy: -626.130904 where: bonds (distance) C4'-P energy: -125.822 bonds (distance) P-C4' energy: -124.038 flat angles C4'-P-C4' energy: -120.263 flat angles P-C4'-P energy: -94.282 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: 5, replica: 8 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1659.670165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.670165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.670165 (E_RNA) where: Base-Base interactions energy: -1142.566 where: short stacking energy: -505.902 Base-Backbone interact. energy: -1.037 local terms energy: -516.067108 where: bonds (distance) C4'-P energy: -110.094 bonds (distance) P-C4' energy: -98.165 flat angles C4'-P-C4' energy: -109.688 flat angles P-C4'-P energy: -72.015 tors. eta vs tors. theta energy: -126.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1616.115246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.115246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.115246 (E_RNA) where: Base-Base interactions energy: -1109.716 where: short stacking energy: -498.402 Base-Backbone interact. energy: 2.104 local terms energy: -508.503409 where: bonds (distance) C4'-P energy: -89.110 bonds (distance) P-C4' energy: -111.041 flat angles C4'-P-C4' energy: -112.320 flat angles P-C4'-P energy: -68.310 tors. eta vs tors. theta energy: -127.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1328.883623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.883623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.883623 (E_RNA) where: Base-Base interactions energy: -859.977 where: short stacking energy: -390.393 Base-Backbone interact. energy: -1.104 local terms energy: -467.802398 where: bonds (distance) C4'-P energy: -100.676 bonds (distance) P-C4' energy: -108.667 flat angles C4'-P-C4' energy: -112.276 flat angles P-C4'-P energy: -59.944 tors. eta vs tors. theta energy: -86.240 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: 10 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1262.176196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.176196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.176196 (E_RNA) where: Base-Base interactions energy: -837.715 where: short stacking energy: -373.740 Base-Backbone interact. energy: -0.694 local terms energy: -423.767740 where: bonds (distance) C4'-P energy: -90.877 bonds (distance) P-C4' energy: -105.391 flat angles C4'-P-C4' energy: -117.080 flat angles P-C4'-P energy: -41.231 tors. eta vs tors. theta energy: -69.188 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: 9, replica: 6 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -883.193553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.193553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.193553 (E_RNA) where: Base-Base interactions energy: -519.477 where: short stacking energy: -261.479 Base-Backbone interact. energy: -1.391 local terms energy: -362.325380 where: bonds (distance) C4'-P energy: -74.477 bonds (distance) P-C4' energy: -99.221 flat angles C4'-P-C4' energy: -100.021 flat angles P-C4'-P energy: -64.816 tors. eta vs tors. theta energy: -23.791 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: 4 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -584.906527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.906527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.906527 (E_RNA) where: Base-Base interactions energy: -280.263 where: short stacking energy: -198.172 Base-Backbone interact. energy: 1.717 local terms energy: -306.360289 where: bonds (distance) C4'-P energy: -94.112 bonds (distance) P-C4' energy: -124.159 flat angles C4'-P-C4' energy: -61.105 flat angles P-C4'-P energy: -34.477 tors. eta vs tors. theta energy: 7.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2118.118191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.118191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.118191 (E_RNA) where: Base-Base interactions energy: -1478.756 where: short stacking energy: -625.443 Base-Backbone interact. energy: -2.363 local terms energy: -637.000023 where: bonds (distance) C4'-P energy: -122.984 bonds (distance) P-C4' energy: -118.738 flat angles C4'-P-C4' energy: -132.374 flat angles P-C4'-P energy: -95.564 tors. eta vs tors. theta energy: -167.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2047.936404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.936404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.936404 (E_RNA) where: Base-Base interactions energy: -1406.722 where: short stacking energy: -602.268 Base-Backbone interact. energy: 0.303 local terms energy: -641.517375 where: bonds (distance) C4'-P energy: -110.585 bonds (distance) P-C4' energy: -131.205 flat angles C4'-P-C4' energy: -145.853 flat angles P-C4'-P energy: -87.409 tors. eta vs tors. theta energy: -166.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2029.604547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.604547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.604547 (E_RNA) where: Base-Base interactions energy: -1402.193 where: short stacking energy: -620.058 Base-Backbone interact. energy: -0.428 local terms energy: -626.983113 where: bonds (distance) C4'-P energy: -117.679 bonds (distance) P-C4' energy: -114.678 flat angles C4'-P-C4' energy: -131.448 flat angles P-C4'-P energy: -80.852 tors. eta vs tors. theta energy: -182.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1876.821548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.821548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.821548 (E_RNA) where: Base-Base interactions energy: -1274.832 where: short stacking energy: -548.323 Base-Backbone interact. energy: 4.041 local terms energy: -606.030940 where: bonds (distance) C4'-P energy: -108.915 bonds (distance) P-C4' energy: -125.661 flat angles C4'-P-C4' energy: -119.281 flat angles P-C4'-P energy: -82.661 tors. eta vs tors. theta energy: -169.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1690.809517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.809517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.809517 (E_RNA) where: Base-Base interactions energy: -1141.283 where: short stacking energy: -505.375 Base-Backbone interact. energy: -2.235 local terms energy: -547.291554 where: bonds (distance) C4'-P energy: -105.631 bonds (distance) P-C4' energy: -107.463 flat angles C4'-P-C4' energy: -133.442 flat angles P-C4'-P energy: -73.010 tors. eta vs tors. theta energy: -127.746 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: 6, replica: 9 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1663.259359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.259359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.259359 (E_RNA) where: Base-Base interactions energy: -1082.077 where: short stacking energy: -484.709 Base-Backbone interact. energy: -1.930 local terms energy: -579.251962 where: bonds (distance) C4'-P energy: -112.671 bonds (distance) P-C4' energy: -122.816 flat angles C4'-P-C4' energy: -127.175 flat angles P-C4'-P energy: -71.385 tors. eta vs tors. theta energy: -145.204 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: 1 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1348.009081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.009081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.009081 (E_RNA) where: Base-Base interactions energy: -858.288 where: short stacking energy: -402.187 Base-Backbone interact. energy: -3.577 local terms energy: -486.144005 where: bonds (distance) C4'-P energy: -111.821 bonds (distance) P-C4' energy: -102.419 flat angles C4'-P-C4' energy: -102.741 flat angles P-C4'-P energy: -78.715 tors. eta vs tors. theta energy: -90.448 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: 8, replica: 10 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1182.164407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.164407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.164407 (E_RNA) where: Base-Base interactions energy: -773.906 where: short stacking energy: -354.460 Base-Backbone interact. energy: 3.229 local terms energy: -411.487370 where: bonds (distance) C4'-P energy: -85.961 bonds (distance) P-C4' energy: -100.556 flat angles C4'-P-C4' energy: -97.395 flat angles P-C4'-P energy: -64.036 tors. eta vs tors. theta energy: -63.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -888.355619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.355619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.355619 (E_RNA) where: Base-Base interactions energy: -502.588 where: short stacking energy: -253.542 Base-Backbone interact. energy: 0.559 local terms energy: -386.326164 where: bonds (distance) C4'-P energy: -108.836 bonds (distance) P-C4' energy: -89.979 flat angles C4'-P-C4' energy: -99.874 flat angles P-C4'-P energy: -70.254 tors. eta vs tors. theta energy: -17.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -588.524127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.524127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.524127 (E_RNA) where: Base-Base interactions energy: -241.950 where: short stacking energy: -163.677 Base-Backbone interact. energy: 1.744 local terms energy: -348.317546 where: bonds (distance) C4'-P energy: -101.891 bonds (distance) P-C4' energy: -109.239 flat angles C4'-P-C4' energy: -92.466 flat angles P-C4'-P energy: -60.037 tors. eta vs tors. theta energy: 15.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2126.754679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.754679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.754679 (E_RNA) where: Base-Base interactions energy: -1487.119 where: short stacking energy: -618.946 Base-Backbone interact. energy: -5.071 local terms energy: -634.563911 where: bonds (distance) C4'-P energy: -111.861 bonds (distance) P-C4' energy: -112.901 flat angles C4'-P-C4' energy: -147.535 flat angles P-C4'-P energy: -95.042 tors. eta vs tors. theta energy: -167.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2048.560914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.560914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.560914 (E_RNA) where: Base-Base interactions energy: -1452.783 where: short stacking energy: -617.730 Base-Backbone interact. energy: -1.476 local terms energy: -594.301650 where: bonds (distance) C4'-P energy: -112.212 bonds (distance) P-C4' energy: -121.186 flat angles C4'-P-C4' energy: -124.640 flat angles P-C4'-P energy: -73.110 tors. eta vs tors. theta energy: -163.153 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: 2 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2024.221390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.221390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.221390 (E_RNA) where: Base-Base interactions energy: -1382.787 where: short stacking energy: -581.813 Base-Backbone interact. energy: -3.284 local terms energy: -638.150167 where: bonds (distance) C4'-P energy: -121.505 bonds (distance) P-C4' energy: -123.376 flat angles C4'-P-C4' energy: -131.592 flat angles P-C4'-P energy: -88.670 tors. eta vs tors. theta energy: -173.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1849.950119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.950119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.950119 (E_RNA) where: Base-Base interactions energy: -1252.656 where: short stacking energy: -543.200 Base-Backbone interact. energy: -2.351 local terms energy: -594.943849 where: bonds (distance) C4'-P energy: -110.702 bonds (distance) P-C4' energy: -108.588 flat angles C4'-P-C4' energy: -138.276 flat angles P-C4'-P energy: -90.402 tors. eta vs tors. theta energy: -146.975 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: 5, replica: 8 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1687.564386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.564386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.564386 (E_RNA) where: Base-Base interactions energy: -1193.510 where: short stacking energy: -507.881 Base-Backbone interact. energy: 0.566 local terms energy: -494.620062 where: bonds (distance) C4'-P energy: -95.520 bonds (distance) P-C4' energy: -108.665 flat angles C4'-P-C4' energy: -118.887 flat angles P-C4'-P energy: -48.940 tors. eta vs tors. theta energy: -122.609 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: 9 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1661.994049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.994049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.994049 (E_RNA) where: Base-Base interactions energy: -1130.443 where: short stacking energy: -493.503 Base-Backbone interact. energy: -2.182 local terms energy: -529.368315 where: bonds (distance) C4'-P energy: -103.823 bonds (distance) P-C4' energy: -98.605 flat angles C4'-P-C4' energy: -122.773 flat angles P-C4'-P energy: -69.887 tors. eta vs tors. theta energy: -134.280 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: 7, replica: 1 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1347.403495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.403495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.403495 (E_RNA) where: Base-Base interactions energy: -880.255 where: short stacking energy: -389.571 Base-Backbone interact. energy: 3.316 local terms energy: -470.464655 where: bonds (distance) C4'-P energy: -89.542 bonds (distance) P-C4' energy: -105.385 flat angles C4'-P-C4' energy: -107.915 flat angles P-C4'-P energy: -69.803 tors. eta vs tors. theta energy: -97.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1211.510473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.510473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.510473 (E_RNA) where: Base-Base interactions energy: -785.342 where: short stacking energy: -396.890 Base-Backbone interact. energy: 4.440 local terms energy: -430.607582 where: bonds (distance) C4'-P energy: -96.786 bonds (distance) P-C4' energy: -100.648 flat angles C4'-P-C4' energy: -100.193 flat angles P-C4'-P energy: -51.270 tors. eta vs tors. theta energy: -81.711 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: 6 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -883.678965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.678965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.678965 (E_RNA) where: Base-Base interactions energy: -476.262 where: short stacking energy: -267.209 Base-Backbone interact. energy: -1.985 local terms energy: -405.432124 where: bonds (distance) C4'-P energy: -116.399 bonds (distance) P-C4' energy: -109.677 flat angles C4'-P-C4' energy: -91.295 flat angles P-C4'-P energy: -48.795 tors. eta vs tors. theta energy: -39.266 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: 10, replica: 4 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -596.489455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.489455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.489455 (E_RNA) where: Base-Base interactions energy: -250.601 where: short stacking energy: -184.742 Base-Backbone interact. energy: 2.117 local terms energy: -348.005103 where: bonds (distance) C4'-P energy: -95.382 bonds (distance) P-C4' energy: -88.040 flat angles C4'-P-C4' energy: -91.342 flat angles P-C4'-P energy: -62.122 tors. eta vs tors. theta energy: -11.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2118.747357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.747357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.747357 (E_RNA) where: Base-Base interactions energy: -1477.812 where: short stacking energy: -616.512 Base-Backbone interact. energy: -5.910 local terms energy: -635.025572 where: bonds (distance) C4'-P energy: -110.605 bonds (distance) P-C4' energy: -130.453 flat angles C4'-P-C4' energy: -133.409 flat angles P-C4'-P energy: -96.404 tors. eta vs tors. theta energy: -164.155 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: 2, replica: 2 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2085.459379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.459379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.459379 (E_RNA) where: Base-Base interactions energy: -1448.975 where: short stacking energy: -622.226 Base-Backbone interact. energy: -2.175 local terms energy: -634.309002 where: bonds (distance) C4'-P energy: -115.794 bonds (distance) P-C4' energy: -125.618 flat angles C4'-P-C4' energy: -139.777 flat angles P-C4'-P energy: -72.532 tors. eta vs tors. theta energy: -180.588 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: 5 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1989.350270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.350270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.350270 (E_RNA) where: Base-Base interactions energy: -1396.948 where: short stacking energy: -607.718 Base-Backbone interact. energy: -3.422 local terms energy: -588.980687 where: bonds (distance) C4'-P energy: -115.458 bonds (distance) P-C4' energy: -108.217 flat angles C4'-P-C4' energy: -124.293 flat angles P-C4'-P energy: -75.645 tors. eta vs tors. theta energy: -165.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1852.860768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.860768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.860768 (E_RNA) where: Base-Base interactions energy: -1276.465 where: short stacking energy: -560.127 Base-Backbone interact. energy: -2.168 local terms energy: -574.228507 where: bonds (distance) C4'-P energy: -102.891 bonds (distance) P-C4' energy: -108.723 flat angles C4'-P-C4' energy: -140.982 flat angles P-C4'-P energy: -72.028 tors. eta vs tors. theta energy: -149.605 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: 5, replica: 8 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1652.767722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.767722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.767722 (E_RNA) where: Base-Base interactions energy: -1095.379 where: short stacking energy: -510.784 Base-Backbone interact. energy: -0.995 local terms energy: -556.394117 where: bonds (distance) C4'-P energy: -107.872 bonds (distance) P-C4' energy: -127.834 flat angles C4'-P-C4' energy: -117.710 flat angles P-C4'-P energy: -73.563 tors. eta vs tors. theta energy: -129.415 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: 9 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1599.815951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.815951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.815951 (E_RNA) where: Base-Base interactions energy: -1066.832 where: short stacking energy: -484.344 Base-Backbone interact. energy: -2.026 local terms energy: -530.958450 where: bonds (distance) C4'-P energy: -101.122 bonds (distance) P-C4' energy: -120.719 flat angles C4'-P-C4' energy: -113.094 flat angles P-C4'-P energy: -73.807 tors. eta vs tors. theta energy: -122.216 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: 7, replica: 1 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1302.929694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.929694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.929694 (E_RNA) where: Base-Base interactions energy: -849.460 where: short stacking energy: -381.705 Base-Backbone interact. energy: -2.202 local terms energy: -451.268131 where: bonds (distance) C4'-P energy: -95.689 bonds (distance) P-C4' energy: -108.557 flat angles C4'-P-C4' energy: -94.977 flat angles P-C4'-P energy: -76.459 tors. eta vs tors. theta energy: -75.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1251.019653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.019653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.019653 (E_RNA) where: Base-Base interactions energy: -793.615 where: short stacking energy: -389.344 Base-Backbone interact. energy: 5.383 local terms energy: -462.787749 where: bonds (distance) C4'-P energy: -96.988 bonds (distance) P-C4' energy: -113.204 flat angles C4'-P-C4' energy: -100.032 flat angles P-C4'-P energy: -62.956 tors. eta vs tors. theta energy: -89.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -827.196990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.196990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.196990 (E_RNA) where: Base-Base interactions energy: -435.391 where: short stacking energy: -206.525 Base-Backbone interact. energy: -1.349 local terms energy: -390.456733 where: bonds (distance) C4'-P energy: -116.411 bonds (distance) P-C4' energy: -105.938 flat angles C4'-P-C4' energy: -85.470 flat angles P-C4'-P energy: -69.307 tors. eta vs tors. theta energy: -13.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -602.918408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.918408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.918408 (E_RNA) where: Base-Base interactions energy: -258.956 where: short stacking energy: -157.806 Base-Backbone interact. energy: 3.282 local terms energy: -347.245101 where: bonds (distance) C4'-P energy: -98.907 bonds (distance) P-C4' energy: -108.781 flat angles C4'-P-C4' energy: -91.699 flat angles P-C4'-P energy: -52.223 tors. eta vs tors. theta energy: 4.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2124.731673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.731673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.731673 (E_RNA) where: Base-Base interactions energy: -1477.426 where: short stacking energy: -626.460 Base-Backbone interact. energy: -1.074 local terms energy: -646.231650 where: bonds (distance) C4'-P energy: -130.645 bonds (distance) P-C4' energy: -116.344 flat angles C4'-P-C4' energy: -142.459 flat angles P-C4'-P energy: -91.735 tors. eta vs tors. theta energy: -165.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2085.034381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.034381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.034381 (E_RNA) where: Base-Base interactions energy: -1432.906 where: short stacking energy: -624.248 Base-Backbone interact. energy: -1.838 local terms energy: -650.290075 where: bonds (distance) C4'-P energy: -112.757 bonds (distance) P-C4' energy: -133.156 flat angles C4'-P-C4' energy: -133.226 flat angles P-C4'-P energy: -97.333 tors. eta vs tors. theta energy: -173.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1997.912875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.912875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.912875 (E_RNA) where: Base-Base interactions energy: -1387.306 where: short stacking energy: -586.351 Base-Backbone interact. energy: -0.613 local terms energy: -609.994273 where: bonds (distance) C4'-P energy: -114.267 bonds (distance) P-C4' energy: -122.077 flat angles C4'-P-C4' energy: -133.258 flat angles P-C4'-P energy: -83.157 tors. eta vs tors. theta energy: -157.234 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: 4, replica: 3 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1809.717028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.717028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.717028 (E_RNA) where: Base-Base interactions energy: -1231.067 where: short stacking energy: -534.133 Base-Backbone interact. energy: -2.749 local terms energy: -575.901007 where: bonds (distance) C4'-P energy: -115.693 bonds (distance) P-C4' energy: -104.820 flat angles C4'-P-C4' energy: -123.476 flat angles P-C4'-P energy: -86.782 tors. eta vs tors. theta energy: -145.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1646.489393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.489393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.489393 (E_RNA) where: Base-Base interactions energy: -1093.243 where: short stacking energy: -515.904 Base-Backbone interact. energy: -1.297 local terms energy: -551.949119 where: bonds (distance) C4'-P energy: -88.356 bonds (distance) P-C4' energy: -116.428 flat angles C4'-P-C4' energy: -121.649 flat angles P-C4'-P energy: -88.050 tors. eta vs tors. theta energy: -137.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1621.460820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.460820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.460820 (E_RNA) where: Base-Base interactions energy: -1078.279 where: short stacking energy: -480.433 Base-Backbone interact. energy: 3.128 local terms energy: -546.309071 where: bonds (distance) C4'-P energy: -107.060 bonds (distance) P-C4' energy: -107.319 flat angles C4'-P-C4' energy: -124.360 flat angles P-C4'-P energy: -85.935 tors. eta vs tors. theta energy: -121.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1244.240090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.240090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.240090 (E_RNA) where: Base-Base interactions energy: -777.429 where: short stacking energy: -362.483 Base-Backbone interact. energy: 0.111 local terms energy: -466.922315 where: bonds (distance) C4'-P energy: -99.042 bonds (distance) P-C4' energy: -113.695 flat angles C4'-P-C4' energy: -123.551 flat angles P-C4'-P energy: -60.567 tors. eta vs tors. theta energy: -70.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1226.429822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.429822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.429822 (E_RNA) where: Base-Base interactions energy: -791.401 where: short stacking energy: -360.311 Base-Backbone interact. energy: -0.243 local terms energy: -434.785776 where: bonds (distance) C4'-P energy: -96.941 bonds (distance) P-C4' energy: -96.342 flat angles C4'-P-C4' energy: -114.372 flat angles P-C4'-P energy: -60.442 tors. eta vs tors. theta energy: -66.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -859.486029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.486029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.486029 (E_RNA) where: Base-Base interactions energy: -476.988 where: short stacking energy: -270.061 Base-Backbone interact. energy: 6.323 local terms energy: -388.821555 where: bonds (distance) C4'-P energy: -89.006 bonds (distance) P-C4' energy: -99.151 flat angles C4'-P-C4' energy: -103.231 flat angles P-C4'-P energy: -67.059 tors. eta vs tors. theta energy: -30.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -599.398695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.398695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.398695 (E_RNA) where: Base-Base interactions energy: -270.085 where: short stacking energy: -190.681 Base-Backbone interact. energy: 3.768 local terms energy: -333.081537 where: bonds (distance) C4'-P energy: -83.518 bonds (distance) P-C4' energy: -105.431 flat angles C4'-P-C4' energy: -92.552 flat angles P-C4'-P energy: -54.451 tors. eta vs tors. theta energy: 2.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2126.861394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.861394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.861394 (E_RNA) where: Base-Base interactions energy: -1479.068 where: short stacking energy: -632.058 Base-Backbone interact. energy: -5.971 local terms energy: -641.822162 where: bonds (distance) C4'-P energy: -122.998 bonds (distance) P-C4' energy: -123.837 flat angles C4'-P-C4' energy: -138.888 flat angles P-C4'-P energy: -93.658 tors. eta vs tors. theta energy: -162.441 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: 2 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2087.239122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.239122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.239122 (E_RNA) where: Base-Base interactions energy: -1431.849 where: short stacking energy: -632.795 Base-Backbone interact. energy: -3.042 local terms energy: -652.348307 where: bonds (distance) C4'-P energy: -127.833 bonds (distance) P-C4' energy: -115.928 flat angles C4'-P-C4' energy: -135.321 flat angles P-C4'-P energy: -90.778 tors. eta vs tors. theta energy: -182.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1969.224093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.224093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.224093 (E_RNA) where: Base-Base interactions energy: -1351.781 where: short stacking energy: -559.427 Base-Backbone interact. energy: -0.642 local terms energy: -616.801445 where: bonds (distance) C4'-P energy: -116.393 bonds (distance) P-C4' energy: -121.075 flat angles C4'-P-C4' energy: -134.998 flat angles P-C4'-P energy: -86.165 tors. eta vs tors. theta energy: -158.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1792.787456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.787456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.787456 (E_RNA) where: Base-Base interactions energy: -1242.488 where: short stacking energy: -533.729 Base-Backbone interact. energy: -2.288 local terms energy: -548.011082 where: bonds (distance) C4'-P energy: -117.409 bonds (distance) P-C4' energy: -95.608 flat angles C4'-P-C4' energy: -121.424 flat angles P-C4'-P energy: -87.920 tors. eta vs tors. theta energy: -125.650 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: 9 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1750.890411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.890411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.890411 (E_RNA) where: Base-Base interactions energy: -1180.627 where: short stacking energy: -526.704 Base-Backbone interact. energy: -2.032 local terms energy: -568.231126 where: bonds (distance) C4'-P energy: -104.214 bonds (distance) P-C4' energy: -115.385 flat angles C4'-P-C4' energy: -121.283 flat angles P-C4'-P energy: -84.116 tors. eta vs tors. theta energy: -143.232 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: 8 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1583.195396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.195396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.195396 (E_RNA) where: Base-Base interactions energy: -1104.593 where: short stacking energy: -485.440 Base-Backbone interact. energy: -2.928 local terms energy: -475.674612 where: bonds (distance) C4'-P energy: -97.763 bonds (distance) P-C4' energy: -94.019 flat angles C4'-P-C4' energy: -103.528 flat angles P-C4'-P energy: -66.754 tors. eta vs tors. theta energy: -113.610 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: 10 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1249.410092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.410092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.410092 (E_RNA) where: Base-Base interactions energy: -792.821 where: short stacking energy: -384.251 Base-Backbone interact. energy: -2.465 local terms energy: -454.124034 where: bonds (distance) C4'-P energy: -100.653 bonds (distance) P-C4' energy: -96.660 flat angles C4'-P-C4' energy: -99.913 flat angles P-C4'-P energy: -69.745 tors. eta vs tors. theta energy: -87.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1181.526031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.526031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.526031 (E_RNA) where: Base-Base interactions energy: -755.282 where: short stacking energy: -348.733 Base-Backbone interact. energy: -3.890 local terms energy: -422.353625 where: bonds (distance) C4'-P energy: -112.947 bonds (distance) P-C4' energy: -110.878 flat angles C4'-P-C4' energy: -100.799 flat angles P-C4'-P energy: -54.997 tors. eta vs tors. theta energy: -42.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -871.654267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.654267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.654267 (E_RNA) where: Base-Base interactions energy: -491.479 where: short stacking energy: -266.543 Base-Backbone interact. energy: 1.021 local terms energy: -381.196028 where: bonds (distance) C4'-P energy: -108.859 bonds (distance) P-C4' energy: -108.618 flat angles C4'-P-C4' energy: -87.698 flat angles P-C4'-P energy: -50.615 tors. eta vs tors. theta energy: -25.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -511.989089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.989089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.989089 (E_RNA) where: Base-Base interactions energy: -208.832 where: short stacking energy: -141.300 Base-Backbone interact. energy: -0.921 local terms energy: -302.235271 where: bonds (distance) C4'-P energy: -109.321 bonds (distance) P-C4' energy: -98.777 flat angles C4'-P-C4' energy: -83.890 flat angles P-C4'-P energy: -41.117 tors. eta vs tors. theta energy: 30.870 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: 2 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2168.436333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.436333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.436333 (E_RNA) where: Base-Base interactions energy: -1489.041 where: short stacking energy: -655.610 Base-Backbone interact. energy: -3.054 local terms energy: -676.340519 where: bonds (distance) C4'-P energy: -119.048 bonds (distance) P-C4' energy: -126.916 flat angles C4'-P-C4' energy: -127.789 flat angles P-C4'-P energy: -99.942 tors. eta vs tors. theta energy: -202.647 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: 2, replica: 7 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2064.022289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.022289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.022289 (E_RNA) where: Base-Base interactions energy: -1458.517 where: short stacking energy: -599.043 Base-Backbone interact. energy: -5.516 local terms energy: -599.989650 where: bonds (distance) C4'-P energy: -111.876 bonds (distance) P-C4' energy: -119.342 flat angles C4'-P-C4' energy: -128.954 flat angles P-C4'-P energy: -80.572 tors. eta vs tors. theta energy: -159.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1961.968815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.968815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.968815 (E_RNA) where: Base-Base interactions energy: -1356.579 where: short stacking energy: -571.419 Base-Backbone interact. energy: -0.018 local terms energy: -605.370994 where: bonds (distance) C4'-P energy: -121.651 bonds (distance) P-C4' energy: -113.853 flat angles C4'-P-C4' energy: -135.749 flat angles P-C4'-P energy: -86.210 tors. eta vs tors. theta energy: -147.908 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: 3 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1816.274378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.274378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.274378 (E_RNA) where: Base-Base interactions energy: -1274.712 where: short stacking energy: -533.499 Base-Backbone interact. energy: -1.873 local terms energy: -539.689342 where: bonds (distance) C4'-P energy: -116.615 bonds (distance) P-C4' energy: -98.745 flat angles C4'-P-C4' energy: -108.928 flat angles P-C4'-P energy: -74.874 tors. eta vs tors. theta energy: -140.528 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: 9 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1741.007166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.007166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.007166 (E_RNA) where: Base-Base interactions energy: -1181.695 where: short stacking energy: -545.496 Base-Backbone interact. energy: -3.485 local terms energy: -555.826485 where: bonds (distance) C4'-P energy: -106.359 bonds (distance) P-C4' energy: -117.018 flat angles C4'-P-C4' energy: -111.239 flat angles P-C4'-P energy: -73.675 tors. eta vs tors. theta energy: -147.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1621.187856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.187856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.187856 (E_RNA) where: Base-Base interactions energy: -1095.427 where: short stacking energy: -461.680 Base-Backbone interact. energy: 1.481 local terms energy: -527.242398 where: bonds (distance) C4'-P energy: -103.729 bonds (distance) P-C4' energy: -117.619 flat angles C4'-P-C4' energy: -110.279 flat angles P-C4'-P energy: -82.193 tors. eta vs tors. theta energy: -113.422 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: 7, replica: 10 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1378.149214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.149214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.149214 (E_RNA) where: Base-Base interactions energy: -895.679 where: short stacking energy: -421.648 Base-Backbone interact. energy: -1.566 local terms energy: -480.903864 where: bonds (distance) C4'-P energy: -111.459 bonds (distance) P-C4' energy: -83.423 flat angles C4'-P-C4' energy: -116.237 flat angles P-C4'-P energy: -85.516 tors. eta vs tors. theta energy: -84.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1193.420079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.420079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.420079 (E_RNA) where: Base-Base interactions energy: -755.176 where: short stacking energy: -333.644 Base-Backbone interact. energy: 9.077 local terms energy: -447.321162 where: bonds (distance) C4'-P energy: -103.719 bonds (distance) P-C4' energy: -103.205 flat angles C4'-P-C4' energy: -105.848 flat angles P-C4'-P energy: -67.781 tors. eta vs tors. theta energy: -66.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -840.939700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.939700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.939700 (E_RNA) where: Base-Base interactions energy: -507.026 where: short stacking energy: -260.961 Base-Backbone interact. energy: 1.831 local terms energy: -335.744295 where: bonds (distance) C4'-P energy: -90.555 bonds (distance) P-C4' energy: -102.329 flat angles C4'-P-C4' energy: -81.548 flat angles P-C4'-P energy: -44.533 tors. eta vs tors. theta energy: -16.778 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: 4 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -603.911443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.911443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.911443 (E_RNA) where: Base-Base interactions energy: -281.844 where: short stacking energy: -166.613 Base-Backbone interact. energy: 3.344 local terms energy: -325.410835 where: bonds (distance) C4'-P energy: -87.839 bonds (distance) P-C4' energy: -98.462 flat angles C4'-P-C4' energy: -88.419 flat angles P-C4'-P energy: -48.424 tors. eta vs tors. theta energy: -2.267 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: 2 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2158.169130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.169130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.169130 (E_RNA) where: Base-Base interactions energy: -1488.935 where: short stacking energy: -646.880 Base-Backbone interact. energy: -4.757 local terms energy: -664.476989 where: bonds (distance) C4'-P energy: -131.768 bonds (distance) P-C4' energy: -120.297 flat angles C4'-P-C4' energy: -145.108 flat angles P-C4'-P energy: -93.365 tors. eta vs tors. theta energy: -173.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2075.866728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.866728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.866728 (E_RNA) where: Base-Base interactions energy: -1451.900 where: short stacking energy: -591.067 Base-Backbone interact. energy: -7.629 local terms energy: -616.337707 where: bonds (distance) C4'-P energy: -116.604 bonds (distance) P-C4' energy: -132.212 flat angles C4'-P-C4' energy: -124.487 flat angles P-C4'-P energy: -88.147 tors. eta vs tors. theta energy: -154.887 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: 3, replica: 5 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1974.656037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.656037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.656037 (E_RNA) where: Base-Base interactions energy: -1362.795 where: short stacking energy: -586.060 Base-Backbone interact. energy: -0.360 local terms energy: -611.500989 where: bonds (distance) C4'-P energy: -115.995 bonds (distance) P-C4' energy: -125.076 flat angles C4'-P-C4' energy: -134.008 flat angles P-C4'-P energy: -84.224 tors. eta vs tors. theta energy: -152.197 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: 3 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1861.852685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.852685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.852685 (E_RNA) where: Base-Base interactions energy: -1301.937 where: short stacking energy: -539.014 Base-Backbone interact. energy: -3.907 local terms energy: -556.008247 where: bonds (distance) C4'-P energy: -96.813 bonds (distance) P-C4' energy: -110.819 flat angles C4'-P-C4' energy: -129.931 flat angles P-C4'-P energy: -78.429 tors. eta vs tors. theta energy: -140.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1781.606975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.606975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.606975 (E_RNA) where: Base-Base interactions energy: -1211.561 where: short stacking energy: -525.171 Base-Backbone interact. energy: -3.883 local terms energy: -566.163098 where: bonds (distance) C4'-P energy: -102.920 bonds (distance) P-C4' energy: -116.054 flat angles C4'-P-C4' energy: -122.451 flat angles P-C4'-P energy: -80.714 tors. eta vs tors. theta energy: -144.025 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: 6, replica: 8 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1614.646817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.646817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.646817 (E_RNA) where: Base-Base interactions energy: -1094.900 where: short stacking energy: -473.945 Base-Backbone interact. energy: -2.788 local terms energy: -516.958852 where: bonds (distance) C4'-P energy: -105.941 bonds (distance) P-C4' energy: -101.931 flat angles C4'-P-C4' energy: -111.079 flat angles P-C4'-P energy: -85.990 tors. eta vs tors. theta energy: -112.018 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: 7, replica: 10 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1365.510957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.510957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.510957 (E_RNA) where: Base-Base interactions energy: -888.687 where: short stacking energy: -401.000 Base-Backbone interact. energy: 6.340 local terms energy: -483.164095 where: bonds (distance) C4'-P energy: -99.732 bonds (distance) P-C4' energy: -99.766 flat angles C4'-P-C4' energy: -115.584 flat angles P-C4'-P energy: -65.285 tors. eta vs tors. theta energy: -102.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1193.982902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.982902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.982902 (E_RNA) where: Base-Base interactions energy: -791.146 where: short stacking energy: -355.883 Base-Backbone interact. energy: 0.482 local terms energy: -403.318923 where: bonds (distance) C4'-P energy: -92.541 bonds (distance) P-C4' energy: -95.783 flat angles C4'-P-C4' energy: -92.438 flat angles P-C4'-P energy: -63.148 tors. eta vs tors. theta energy: -59.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -859.511329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.511329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.511329 (E_RNA) where: Base-Base interactions energy: -491.211 where: short stacking energy: -233.330 Base-Backbone interact. energy: -5.721 local terms energy: -362.579279 where: bonds (distance) C4'-P energy: -101.149 bonds (distance) P-C4' energy: -106.369 flat angles C4'-P-C4' energy: -72.852 flat angles P-C4'-P energy: -62.004 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: 10, replica: 4 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -562.178097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.178097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.178097 (E_RNA) where: Base-Base interactions energy: -248.612 where: short stacking energy: -168.786 Base-Backbone interact. energy: 1.692 local terms energy: -315.258012 where: bonds (distance) C4'-P energy: -99.491 bonds (distance) P-C4' energy: -105.712 flat angles C4'-P-C4' energy: -91.637 flat angles P-C4'-P energy: -40.614 tors. eta vs tors. theta energy: 22.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2148.650193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.650193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.650193 (E_RNA) where: Base-Base interactions energy: -1478.882 where: short stacking energy: -657.044 Base-Backbone interact. energy: 0.129 local terms energy: -669.897184 where: bonds (distance) C4'-P energy: -133.188 bonds (distance) P-C4' energy: -121.220 flat angles C4'-P-C4' energy: -143.393 flat angles P-C4'-P energy: -91.802 tors. eta vs tors. theta energy: -180.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2045.033832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.033832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.033832 (E_RNA) where: Base-Base interactions energy: -1418.119 where: short stacking energy: -610.653 Base-Backbone interact. energy: -2.487 local terms energy: -624.427282 where: bonds (distance) C4'-P energy: -124.657 bonds (distance) P-C4' energy: -112.283 flat angles C4'-P-C4' energy: -137.081 flat angles P-C4'-P energy: -91.739 tors. eta vs tors. theta energy: -158.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1980.983465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.983465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.983465 (E_RNA) where: Base-Base interactions energy: -1378.443 where: short stacking energy: -587.761 Base-Backbone interact. energy: -3.171 local terms energy: -599.369290 where: bonds (distance) C4'-P energy: -105.600 bonds (distance) P-C4' energy: -115.658 flat angles C4'-P-C4' energy: -132.532 flat angles P-C4'-P energy: -81.248 tors. eta vs tors. theta energy: -164.331 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: 4, replica: 3 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1857.868302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.868302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.868302 (E_RNA) where: Base-Base interactions energy: -1295.848 where: short stacking energy: -534.419 Base-Backbone interact. energy: -5.458 local terms energy: -556.562348 where: bonds (distance) C4'-P energy: -110.856 bonds (distance) P-C4' energy: -100.441 flat angles C4'-P-C4' energy: -125.617 flat angles P-C4'-P energy: -75.188 tors. eta vs tors. theta energy: -144.459 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: 9 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1767.414005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.414005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.414005 (E_RNA) where: Base-Base interactions energy: -1186.203 where: short stacking energy: -538.524 Base-Backbone interact. energy: -1.033 local terms energy: -580.178307 where: bonds (distance) C4'-P energy: -122.310 bonds (distance) P-C4' energy: -102.669 flat angles C4'-P-C4' energy: -128.108 flat angles P-C4'-P energy: -81.982 tors. eta vs tors. theta energy: -145.109 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: 8 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1584.122865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.122865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.122865 (E_RNA) where: Base-Base interactions energy: -1057.876 where: short stacking energy: -472.758 Base-Backbone interact. energy: -0.772 local terms energy: -525.474474 where: bonds (distance) C4'-P energy: -115.998 bonds (distance) P-C4' energy: -107.433 flat angles C4'-P-C4' energy: -123.704 flat angles P-C4'-P energy: -62.656 tors. eta vs tors. theta energy: -115.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1351.844644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.844644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.844644 (E_RNA) where: Base-Base interactions energy: -886.879 where: short stacking energy: -396.804 Base-Backbone interact. energy: -0.873 local terms energy: -464.092362 where: bonds (distance) C4'-P energy: -87.774 bonds (distance) P-C4' energy: -96.032 flat angles C4'-P-C4' energy: -114.204 flat angles P-C4'-P energy: -82.997 tors. eta vs tors. theta energy: -83.085 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: 8, replica: 1 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1228.045232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.045232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.045232 (E_RNA) where: Base-Base interactions energy: -805.120 where: short stacking energy: -341.762 Base-Backbone interact. energy: -1.018 local terms energy: -421.907688 where: bonds (distance) C4'-P energy: -103.271 bonds (distance) P-C4' energy: -97.699 flat angles C4'-P-C4' energy: -97.951 flat angles P-C4'-P energy: -54.308 tors. eta vs tors. theta energy: -68.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -854.215108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.215108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.215108 (E_RNA) where: Base-Base interactions energy: -468.411 where: short stacking energy: -261.069 Base-Backbone interact. energy: -2.123 local terms energy: -383.681443 where: bonds (distance) C4'-P energy: -92.221 bonds (distance) P-C4' energy: -106.026 flat angles C4'-P-C4' energy: -100.903 flat angles P-C4'-P energy: -78.071 tors. eta vs tors. theta energy: -6.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -591.592111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.592111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.592111 (E_RNA) where: Base-Base interactions energy: -240.048 where: short stacking energy: -141.760 Base-Backbone interact. energy: -3.144 local terms energy: -348.400120 where: bonds (distance) C4'-P energy: -110.276 bonds (distance) P-C4' energy: -109.002 flat angles C4'-P-C4' energy: -96.180 flat angles P-C4'-P energy: -44.280 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: 1, replica: 2 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2156.961995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.961995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.961995 (E_RNA) where: Base-Base interactions energy: -1483.441 where: short stacking energy: -650.667 Base-Backbone interact. energy: -2.630 local terms energy: -670.890804 where: bonds (distance) C4'-P energy: -126.148 bonds (distance) P-C4' energy: -135.784 flat angles C4'-P-C4' energy: -139.471 flat angles P-C4'-P energy: -75.343 tors. eta vs tors. theta energy: -194.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2023.856665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.856665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.856665 (E_RNA) where: Base-Base interactions energy: -1396.863 where: short stacking energy: -587.348 Base-Backbone interact. energy: -3.451 local terms energy: -623.543566 where: bonds (distance) C4'-P energy: -120.535 bonds (distance) P-C4' energy: -112.836 flat angles C4'-P-C4' energy: -135.879 flat angles P-C4'-P energy: -100.761 tors. eta vs tors. theta energy: -153.532 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: 5 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1978.809121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.809121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.809121 (E_RNA) where: Base-Base interactions energy: -1353.184 where: short stacking energy: -563.206 Base-Backbone interact. energy: -3.687 local terms energy: -621.937531 where: bonds (distance) C4'-P energy: -114.611 bonds (distance) P-C4' energy: -122.382 flat angles C4'-P-C4' energy: -134.199 flat angles P-C4'-P energy: -89.340 tors. eta vs tors. theta energy: -161.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1868.745152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.745152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.745152 (E_RNA) where: Base-Base interactions energy: -1291.828 where: short stacking energy: -544.994 Base-Backbone interact. energy: 0.051 local terms energy: -576.968007 where: bonds (distance) C4'-P energy: -114.845 bonds (distance) P-C4' energy: -120.018 flat angles C4'-P-C4' energy: -125.654 flat angles P-C4'-P energy: -67.826 tors. eta vs tors. theta energy: -148.625 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: 9 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1706.431130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.431130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.431130 (E_RNA) where: Base-Base interactions energy: -1129.623 where: short stacking energy: -521.713 Base-Backbone interact. energy: -3.504 local terms energy: -573.304957 where: bonds (distance) C4'-P energy: -108.585 bonds (distance) P-C4' energy: -110.919 flat angles C4'-P-C4' energy: -125.750 flat angles P-C4'-P energy: -85.105 tors. eta vs tors. theta energy: -142.945 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: 8 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1593.957333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.957333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.957333 (E_RNA) where: Base-Base interactions energy: -1071.353 where: short stacking energy: -482.186 Base-Backbone interact. energy: -1.451 local terms energy: -521.152861 where: bonds (distance) C4'-P energy: -100.481 bonds (distance) P-C4' energy: -109.007 flat angles C4'-P-C4' energy: -116.825 flat angles P-C4'-P energy: -72.837 tors. eta vs tors. theta energy: -122.003 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: 7, replica: 10 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1392.342947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.342947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.342947 (E_RNA) where: Base-Base interactions energy: -930.879 where: short stacking energy: -433.916 Base-Backbone interact. energy: 2.456 local terms energy: -463.919646 where: bonds (distance) C4'-P energy: -97.033 bonds (distance) P-C4' energy: -100.917 flat angles C4'-P-C4' energy: -103.968 flat angles P-C4'-P energy: -60.960 tors. eta vs tors. theta energy: -101.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1250.791155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.791155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.791155 (E_RNA) where: Base-Base interactions energy: -819.463 where: short stacking energy: -352.314 Base-Backbone interact. energy: -0.767 local terms energy: -430.561551 where: bonds (distance) C4'-P energy: -93.358 bonds (distance) P-C4' energy: -112.237 flat angles C4'-P-C4' energy: -93.015 flat angles P-C4'-P energy: -67.526 tors. eta vs tors. theta energy: -64.427 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: 6 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -872.101391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.101391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.101391 (E_RNA) where: Base-Base interactions energy: -455.103 where: short stacking energy: -251.591 Base-Backbone interact. energy: 1.227 local terms energy: -418.226173 where: bonds (distance) C4'-P energy: -108.080 bonds (distance) P-C4' energy: -110.093 flat angles C4'-P-C4' energy: -96.434 flat angles P-C4'-P energy: -66.735 tors. eta vs tors. theta energy: -36.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -633.872835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.872835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.872835 (E_RNA) where: Base-Base interactions energy: -331.951 where: short stacking energy: -196.292 Base-Backbone interact. energy: 2.988 local terms energy: -304.909531 where: bonds (distance) C4'-P energy: -89.845 bonds (distance) P-C4' energy: -94.862 flat angles C4'-P-C4' energy: -75.893 flat angles P-C4'-P energy: -54.261 tors. eta vs tors. theta energy: 9.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2132.382396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.382396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.382396 (E_RNA) where: Base-Base interactions energy: -1437.055 where: short stacking energy: -649.486 Base-Backbone interact. energy: -3.983 local terms energy: -691.344068 where: bonds (distance) C4'-P energy: -126.449 bonds (distance) P-C4' energy: -136.122 flat angles C4'-P-C4' energy: -149.344 flat angles P-C4'-P energy: -86.450 tors. eta vs tors. theta energy: -192.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2040.884142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.884142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.884142 (E_RNA) where: Base-Base interactions energy: -1409.736 where: short stacking energy: -608.616 Base-Backbone interact. energy: -2.228 local terms energy: -628.920212 where: bonds (distance) C4'-P energy: -111.548 bonds (distance) P-C4' energy: -130.048 flat angles C4'-P-C4' energy: -128.848 flat angles P-C4'-P energy: -97.132 tors. eta vs tors. theta energy: -161.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1921.120026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.120026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.120026 (E_RNA) where: Base-Base interactions energy: -1336.178 where: short stacking energy: -558.279 Base-Backbone interact. energy: 0.440 local terms energy: -585.381552 where: bonds (distance) C4'-P energy: -113.319 bonds (distance) P-C4' energy: -121.114 flat angles C4'-P-C4' energy: -131.806 flat angles P-C4'-P energy: -61.446 tors. eta vs tors. theta energy: -157.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1919.928730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.928730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.928730 (E_RNA) where: Base-Base interactions energy: -1341.435 where: short stacking energy: -557.735 Base-Backbone interact. energy: -0.279 local terms energy: -578.215132 where: bonds (distance) C4'-P energy: -100.178 bonds (distance) P-C4' energy: -133.582 flat angles C4'-P-C4' energy: -118.379 flat angles P-C4'-P energy: -79.747 tors. eta vs tors. theta energy: -146.329 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: 5, replica: 9 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1736.705097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.705097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.705097 (E_RNA) where: Base-Base interactions energy: -1173.676 where: short stacking energy: -533.457 Base-Backbone interact. energy: -2.731 local terms energy: -560.297384 where: bonds (distance) C4'-P energy: -100.963 bonds (distance) P-C4' energy: -113.115 flat angles C4'-P-C4' energy: -118.677 flat angles P-C4'-P energy: -69.357 tors. eta vs tors. theta energy: -158.186 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: 8 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1585.809506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.809506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.809506 (E_RNA) where: Base-Base interactions energy: -1077.813 where: short stacking energy: -443.351 Base-Backbone interact. energy: 0.735 local terms energy: -508.731622 where: bonds (distance) C4'-P energy: -115.238 bonds (distance) P-C4' energy: -107.031 flat angles C4'-P-C4' energy: -121.839 flat angles P-C4'-P energy: -70.729 tors. eta vs tors. theta energy: -93.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1427.684935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.684935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.684935 (E_RNA) where: Base-Base interactions energy: -948.007 where: short stacking energy: -439.412 Base-Backbone interact. energy: -1.393 local terms energy: -478.284520 where: bonds (distance) C4'-P energy: -101.457 bonds (distance) P-C4' energy: -103.230 flat angles C4'-P-C4' energy: -102.653 flat angles P-C4'-P energy: -53.937 tors. eta vs tors. theta energy: -117.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1243.110891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.110891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.110891 (E_RNA) where: Base-Base interactions energy: -801.157 where: short stacking energy: -360.416 Base-Backbone interact. energy: -0.514 local terms energy: -441.440241 where: bonds (distance) C4'-P energy: -95.014 bonds (distance) P-C4' energy: -92.176 flat angles C4'-P-C4' energy: -109.358 flat angles P-C4'-P energy: -69.811 tors. eta vs tors. theta energy: -75.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -832.641642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.641642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.641642 (E_RNA) where: Base-Base interactions energy: -446.747 where: short stacking energy: -254.542 Base-Backbone interact. energy: 2.304 local terms energy: -388.198351 where: bonds (distance) C4'-P energy: -95.079 bonds (distance) P-C4' energy: -112.193 flat angles C4'-P-C4' energy: -107.563 flat angles P-C4'-P energy: -48.740 tors. eta vs tors. theta energy: -24.624 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: 4 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -580.763331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.763331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.763331 (E_RNA) where: Base-Base interactions energy: -270.664 where: short stacking energy: -145.461 Base-Backbone interact. energy: 6.800 local terms energy: -316.900015 where: bonds (distance) C4'-P energy: -75.475 bonds (distance) P-C4' energy: -97.976 flat angles C4'-P-C4' energy: -95.582 flat angles P-C4'-P energy: -70.710 tors. eta vs tors. theta energy: 22.844 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: 2 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2144.831436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.831436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.831436 (E_RNA) where: Base-Base interactions energy: -1456.881 where: short stacking energy: -652.428 Base-Backbone interact. energy: -3.786 local terms energy: -684.165163 where: bonds (distance) C4'-P energy: -131.735 bonds (distance) P-C4' energy: -136.490 flat angles C4'-P-C4' energy: -130.364 flat angles P-C4'-P energy: -98.519 tors. eta vs tors. theta energy: -187.057 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: 7 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2029.272011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.272011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.272011 (E_RNA) where: Base-Base interactions energy: -1428.732 where: short stacking energy: -612.513 Base-Backbone interact. energy: -0.523 local terms energy: -600.016189 where: bonds (distance) C4'-P energy: -105.934 bonds (distance) P-C4' energy: -119.331 flat angles C4'-P-C4' energy: -124.304 flat angles P-C4'-P energy: -98.042 tors. eta vs tors. theta energy: -152.406 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: 3 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1910.363714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.363714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.363714 (E_RNA) where: Base-Base interactions energy: -1311.964 where: short stacking energy: -569.357 Base-Backbone interact. energy: 3.204 local terms energy: -601.604324 where: bonds (distance) C4'-P energy: -110.692 bonds (distance) P-C4' energy: -127.563 flat angles C4'-P-C4' energy: -138.781 flat angles P-C4'-P energy: -76.558 tors. eta vs tors. theta energy: -148.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1967.725350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.725350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.725350 (E_RNA) where: Base-Base interactions energy: -1375.347 where: short stacking energy: -574.429 Base-Backbone interact. energy: 2.145 local terms energy: -594.523221 where: bonds (distance) C4'-P energy: -117.065 bonds (distance) P-C4' energy: -99.735 flat angles C4'-P-C4' energy: -135.282 flat angles P-C4'-P energy: -88.136 tors. eta vs tors. theta energy: -154.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1762.534728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.534728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.534728 (E_RNA) where: Base-Base interactions energy: -1201.940 where: short stacking energy: -542.402 Base-Backbone interact. energy: -3.510 local terms energy: -557.084271 where: bonds (distance) C4'-P energy: -108.299 bonds (distance) P-C4' energy: -108.162 flat angles C4'-P-C4' energy: -124.592 flat angles P-C4'-P energy: -72.957 tors. eta vs tors. theta energy: -143.074 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: 8 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1634.261864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.261864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.261864 (E_RNA) where: Base-Base interactions energy: -1102.193 where: short stacking energy: -497.354 Base-Backbone interact. energy: -1.534 local terms energy: -530.533947 where: bonds (distance) C4'-P energy: -105.831 bonds (distance) P-C4' energy: -112.179 flat angles C4'-P-C4' energy: -120.538 flat angles P-C4'-P energy: -68.874 tors. eta vs tors. theta energy: -123.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1398.677908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.677908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.677908 (E_RNA) where: Base-Base interactions energy: -910.113 where: short stacking energy: -424.435 Base-Backbone interact. energy: -0.899 local terms energy: -487.666018 where: bonds (distance) C4'-P energy: -115.119 bonds (distance) P-C4' energy: -101.204 flat angles C4'-P-C4' energy: -119.956 flat angles P-C4'-P energy: -58.963 tors. eta vs tors. theta energy: -92.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1204.198033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.198033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.198033 (E_RNA) where: Base-Base interactions energy: -746.414 where: short stacking energy: -355.536 Base-Backbone interact. energy: 0.542 local terms energy: -458.325597 where: bonds (distance) C4'-P energy: -117.638 bonds (distance) P-C4' energy: -97.760 flat angles C4'-P-C4' energy: -94.884 flat angles P-C4'-P energy: -78.505 tors. eta vs tors. theta energy: -69.539 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: 6 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -778.754132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.754132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.754132 (E_RNA) where: Base-Base interactions energy: -449.008 where: short stacking energy: -243.149 Base-Backbone interact. energy: 1.703 local terms energy: -331.448538 where: bonds (distance) C4'-P energy: -82.842 bonds (distance) P-C4' energy: -92.165 flat angles C4'-P-C4' energy: -86.033 flat angles P-C4'-P energy: -52.097 tors. eta vs tors. theta energy: -18.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -561.025456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.025456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.025456 (E_RNA) where: Base-Base interactions energy: -252.638 where: short stacking energy: -178.851 Base-Backbone interact. energy: 4.642 local terms energy: -313.029191 where: bonds (distance) C4'-P energy: -78.234 bonds (distance) P-C4' energy: -104.198 flat angles C4'-P-C4' energy: -92.308 flat angles P-C4'-P energy: -46.830 tors. eta vs tors. theta energy: 8.540 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: 1, replica: 2 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2146.790905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.790905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.790905 (E_RNA) where: Base-Base interactions energy: -1473.700 where: short stacking energy: -660.231 Base-Backbone interact. energy: -3.827 local terms energy: -669.263993 where: bonds (distance) C4'-P energy: -115.754 bonds (distance) P-C4' energy: -127.117 flat angles C4'-P-C4' energy: -141.595 flat angles P-C4'-P energy: -83.140 tors. eta vs tors. theta energy: -201.656 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: 7 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2036.472713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.472713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.472713 (E_RNA) where: Base-Base interactions energy: -1417.833 where: short stacking energy: -597.444 Base-Backbone interact. energy: -1.202 local terms energy: -617.438298 where: bonds (distance) C4'-P energy: -112.810 bonds (distance) P-C4' energy: -113.096 flat angles C4'-P-C4' energy: -137.046 flat angles P-C4'-P energy: -93.597 tors. eta vs tors. theta energy: -160.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2048.551946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.551946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.551946 (E_RNA) where: Base-Base interactions energy: -1431.146 where: short stacking energy: -611.900 Base-Backbone interact. energy: -2.579 local terms energy: -614.826595 where: bonds (distance) C4'-P energy: -109.163 bonds (distance) P-C4' energy: -115.058 flat angles C4'-P-C4' energy: -135.791 flat angles P-C4'-P energy: -82.139 tors. eta vs tors. theta energy: -172.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1840.557227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.557227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.557227 (E_RNA) where: Base-Base interactions energy: -1245.514 where: short stacking energy: -552.571 Base-Backbone interact. energy: -1.099 local terms energy: -593.944286 where: bonds (distance) C4'-P energy: -105.038 bonds (distance) P-C4' energy: -119.182 flat angles C4'-P-C4' energy: -132.340 flat angles P-C4'-P energy: -85.943 tors. eta vs tors. theta energy: -151.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1765.216977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.216977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.216977 (E_RNA) where: Base-Base interactions energy: -1183.251 where: short stacking energy: -530.850 Base-Backbone interact. energy: -1.317 local terms energy: -580.648954 where: bonds (distance) C4'-P energy: -114.059 bonds (distance) P-C4' energy: -115.602 flat angles C4'-P-C4' energy: -116.511 flat angles P-C4'-P energy: -89.271 tors. eta vs tors. theta energy: -145.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1563.916735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.916735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.916735 (E_RNA) where: Base-Base interactions energy: -1036.295 where: short stacking energy: -458.838 Base-Backbone interact. energy: -2.866 local terms energy: -524.755630 where: bonds (distance) C4'-P energy: -105.850 bonds (distance) P-C4' energy: -111.294 flat angles C4'-P-C4' energy: -118.281 flat angles P-C4'-P energy: -74.447 tors. eta vs tors. theta energy: -114.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1407.558433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.558433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.558433 (E_RNA) where: Base-Base interactions energy: -889.582 where: short stacking energy: -423.431 Base-Backbone interact. energy: -1.320 local terms energy: -516.656671 where: bonds (distance) C4'-P energy: -112.957 bonds (distance) P-C4' energy: -106.667 flat angles C4'-P-C4' energy: -122.788 flat angles P-C4'-P energy: -69.787 tors. eta vs tors. theta energy: -104.457 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: 8, replica: 1 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1240.415716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.415716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.415716 (E_RNA) where: Base-Base interactions energy: -797.551 where: short stacking energy: -346.706 Base-Backbone interact. energy: 3.810 local terms energy: -446.674693 where: bonds (distance) C4'-P energy: -97.198 bonds (distance) P-C4' energy: -102.589 flat angles C4'-P-C4' energy: -106.625 flat angles P-C4'-P energy: -60.883 tors. eta vs tors. theta energy: -79.380 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: 9, replica: 6 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -880.421106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.421106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.421106 (E_RNA) where: Base-Base interactions energy: -492.745 where: short stacking energy: -263.776 Base-Backbone interact. energy: 0.835 local terms energy: -388.510680 where: bonds (distance) C4'-P energy: -101.046 bonds (distance) P-C4' energy: -109.160 flat angles C4'-P-C4' energy: -92.825 flat angles P-C4'-P energy: -57.728 tors. eta vs tors. theta energy: -27.752 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: 10, replica: 4 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -622.229250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.229250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.229250 (E_RNA) where: Base-Base interactions energy: -303.700 where: short stacking energy: -166.172 Base-Backbone interact. energy: 3.237 local terms energy: -321.766133 where: bonds (distance) C4'-P energy: -96.775 bonds (distance) P-C4' energy: -90.135 flat angles C4'-P-C4' energy: -104.153 flat angles P-C4'-P energy: -58.318 tors. eta vs tors. theta energy: 27.614 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: 2 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2167.328077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.328077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.328077 (E_RNA) where: Base-Base interactions energy: -1470.899 where: short stacking energy: -660.372 Base-Backbone interact. energy: -0.165 local terms energy: -696.263954 where: bonds (distance) C4'-P energy: -120.169 bonds (distance) P-C4' energy: -128.509 flat angles C4'-P-C4' energy: -152.592 flat angles P-C4'-P energy: -96.892 tors. eta vs tors. theta energy: -198.103 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: 2, replica: 7 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2053.507905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.507905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.507905 (E_RNA) where: Base-Base interactions energy: -1434.713 where: short stacking energy: -586.394 Base-Backbone interact. energy: -4.016 local terms energy: -614.779092 where: bonds (distance) C4'-P energy: -120.412 bonds (distance) P-C4' energy: -113.970 flat angles C4'-P-C4' energy: -144.169 flat angles P-C4'-P energy: -85.784 tors. eta vs tors. theta energy: -150.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2023.994844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.994844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.994844 (E_RNA) where: Base-Base interactions energy: -1410.582 where: short stacking energy: -601.574 Base-Backbone interact. energy: -1.085 local terms energy: -612.327546 where: bonds (distance) C4'-P energy: -114.501 bonds (distance) P-C4' energy: -116.975 flat angles C4'-P-C4' energy: -126.313 flat angles P-C4'-P energy: -91.044 tors. eta vs tors. theta energy: -163.495 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: 3 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1830.468962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.468962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.468962 (E_RNA) where: Base-Base interactions energy: -1258.356 where: short stacking energy: -530.452 Base-Backbone interact. energy: -3.879 local terms energy: -568.234541 where: bonds (distance) C4'-P energy: -109.469 bonds (distance) P-C4' energy: -113.968 flat angles C4'-P-C4' energy: -123.183 flat angles P-C4'-P energy: -82.706 tors. eta vs tors. theta energy: -138.909 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: 5, replica: 9 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1758.541119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.541119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.541119 (E_RNA) where: Base-Base interactions energy: -1195.582 where: short stacking energy: -537.461 Base-Backbone interact. energy: -0.713 local terms energy: -562.245872 where: bonds (distance) C4'-P energy: -106.558 bonds (distance) P-C4' energy: -106.437 flat angles C4'-P-C4' energy: -116.263 flat angles P-C4'-P energy: -81.354 tors. eta vs tors. theta energy: -151.634 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: 8 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1616.670519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.670519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.670519 (E_RNA) where: Base-Base interactions energy: -1084.840 where: short stacking energy: -487.467 Base-Backbone interact. energy: -3.408 local terms energy: -528.422623 where: bonds (distance) C4'-P energy: -104.388 bonds (distance) P-C4' energy: -122.371 flat angles C4'-P-C4' energy: -98.954 flat angles P-C4'-P energy: -77.467 tors. eta vs tors. theta energy: -125.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1415.815584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.815584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.815584 (E_RNA) where: Base-Base interactions energy: -913.858 where: short stacking energy: -425.604 Base-Backbone interact. energy: 1.263 local terms energy: -503.220139 where: bonds (distance) C4'-P energy: -100.684 bonds (distance) P-C4' energy: -116.676 flat angles C4'-P-C4' energy: -104.408 flat angles P-C4'-P energy: -73.337 tors. eta vs tors. theta energy: -108.116 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: 1 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1230.362052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.362052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.362052 (E_RNA) where: Base-Base interactions energy: -782.463 where: short stacking energy: -363.092 Base-Backbone interact. energy: -3.547 local terms energy: -444.352803 where: bonds (distance) C4'-P energy: -102.242 bonds (distance) P-C4' energy: -104.062 flat angles C4'-P-C4' energy: -102.841 flat angles P-C4'-P energy: -72.690 tors. eta vs tors. theta energy: -62.518 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: 6 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -831.043246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.043246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.043246 (E_RNA) where: Base-Base interactions energy: -435.517 where: short stacking energy: -253.774 Base-Backbone interact. energy: 0.647 local terms energy: -396.172861 where: bonds (distance) C4'-P energy: -92.369 bonds (distance) P-C4' energy: -121.270 flat angles C4'-P-C4' energy: -99.244 flat angles P-C4'-P energy: -53.879 tors. eta vs tors. theta energy: -29.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -606.806093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.806093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.806093 (E_RNA) where: Base-Base interactions energy: -292.747 where: short stacking energy: -171.752 Base-Backbone interact. energy: -2.454 local terms energy: -311.604992 where: bonds (distance) C4'-P energy: -91.744 bonds (distance) P-C4' energy: -103.564 flat angles C4'-P-C4' energy: -79.246 flat angles P-C4'-P energy: -42.087 tors. eta vs tors. theta energy: 5.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2158.517693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.517693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.517693 (E_RNA) where: Base-Base interactions energy: -1470.881 where: short stacking energy: -661.906 Base-Backbone interact. energy: -2.672 local terms energy: -684.965190 where: bonds (distance) C4'-P energy: -120.138 bonds (distance) P-C4' energy: -132.906 flat angles C4'-P-C4' energy: -144.640 flat angles P-C4'-P energy: -91.947 tors. eta vs tors. theta energy: -195.335 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: 7 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2044.186069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.186069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.186069 (E_RNA) where: Base-Base interactions energy: -1443.333 where: short stacking energy: -597.851 Base-Backbone interact. energy: 1.868 local terms energy: -602.720913 where: bonds (distance) C4'-P energy: -122.336 bonds (distance) P-C4' energy: -123.487 flat angles C4'-P-C4' energy: -132.917 flat angles P-C4'-P energy: -77.529 tors. eta vs tors. theta energy: -146.451 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: 5 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2002.894859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.894859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.894859 (E_RNA) where: Base-Base interactions energy: -1392.321 where: short stacking energy: -580.186 Base-Backbone interact. energy: -4.049 local terms energy: -606.524075 where: bonds (distance) C4'-P energy: -102.518 bonds (distance) P-C4' energy: -120.083 flat angles C4'-P-C4' energy: -133.717 flat angles P-C4'-P energy: -91.189 tors. eta vs tors. theta energy: -159.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1845.082845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.082845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.082845 (E_RNA) where: Base-Base interactions energy: -1279.541 where: short stacking energy: -550.778 Base-Backbone interact. energy: -1.669 local terms energy: -563.872376 where: bonds (distance) C4'-P energy: -106.951 bonds (distance) P-C4' energy: -114.078 flat angles C4'-P-C4' energy: -126.748 flat angles P-C4'-P energy: -71.724 tors. eta vs tors. theta energy: -144.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1790.061147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.061147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.061147 (E_RNA) where: Base-Base interactions energy: -1206.643 where: short stacking energy: -560.451 Base-Backbone interact. energy: 0.866 local terms energy: -584.284339 where: bonds (distance) C4'-P energy: -104.768 bonds (distance) P-C4' energy: -110.197 flat angles C4'-P-C4' energy: -124.081 flat angles P-C4'-P energy: -94.268 tors. eta vs tors. theta energy: -150.971 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: 8 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1588.435454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.435454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.435454 (E_RNA) where: Base-Base interactions energy: -1080.189 where: short stacking energy: -460.610 Base-Backbone interact. energy: -2.550 local terms energy: -505.695990 where: bonds (distance) C4'-P energy: -103.656 bonds (distance) P-C4' energy: -116.204 flat angles C4'-P-C4' energy: -123.967 flat angles P-C4'-P energy: -60.793 tors. eta vs tors. theta energy: -101.076 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: 7, replica: 10 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1401.805896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.805896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.805896 (E_RNA) where: Base-Base interactions energy: -910.964 where: short stacking energy: -410.454 Base-Backbone interact. energy: 4.463 local terms energy: -495.305094 where: bonds (distance) C4'-P energy: -107.000 bonds (distance) P-C4' energy: -109.580 flat angles C4'-P-C4' energy: -104.357 flat angles P-C4'-P energy: -73.626 tors. eta vs tors. theta energy: -100.743 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: 1 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1248.370155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.370155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.370155 (E_RNA) where: Base-Base interactions energy: -812.894 where: short stacking energy: -374.113 Base-Backbone interact. energy: -1.604 local terms energy: -433.872184 where: bonds (distance) C4'-P energy: -88.438 bonds (distance) P-C4' energy: -86.194 flat angles C4'-P-C4' energy: -114.568 flat angles P-C4'-P energy: -71.298 tors. eta vs tors. theta energy: -73.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -818.710531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.710531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.710531 (E_RNA) where: Base-Base interactions energy: -435.365 where: short stacking energy: -241.229 Base-Backbone interact. energy: 6.053 local terms energy: -389.398890 where: bonds (distance) C4'-P energy: -102.248 bonds (distance) P-C4' energy: -111.586 flat angles C4'-P-C4' energy: -94.952 flat angles P-C4'-P energy: -55.503 tors. eta vs tors. theta energy: -25.110 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: 4 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -595.918164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.918164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.918164 (E_RNA) where: Base-Base interactions energy: -257.832 where: short stacking energy: -166.634 Base-Backbone interact. energy: -2.894 local terms energy: -335.192196 where: bonds (distance) C4'-P energy: -97.841 bonds (distance) P-C4' energy: -102.718 flat angles C4'-P-C4' energy: -86.047 flat angles P-C4'-P energy: -45.465 tors. eta vs tors. theta energy: -3.122 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: 2 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2145.146696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.146696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.146696 (E_RNA) where: Base-Base interactions energy: -1470.884 where: short stacking energy: -660.819 Base-Backbone interact. energy: -0.858 local terms energy: -673.403928 where: bonds (distance) C4'-P energy: -129.484 bonds (distance) P-C4' energy: -131.120 flat angles C4'-P-C4' energy: -133.916 flat angles P-C4'-P energy: -85.153 tors. eta vs tors. theta energy: -193.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2053.345658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.345658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.345658 (E_RNA) where: Base-Base interactions energy: -1419.906 where: short stacking energy: -607.752 Base-Backbone interact. energy: -0.683 local terms energy: -632.756508 where: bonds (distance) C4'-P energy: -127.313 bonds (distance) P-C4' energy: -113.387 flat angles C4'-P-C4' energy: -132.660 flat angles P-C4'-P energy: -88.674 tors. eta vs tors. theta energy: -170.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2016.339956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.339956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.339956 (E_RNA) where: Base-Base interactions energy: -1405.305 where: short stacking energy: -579.405 Base-Backbone interact. energy: -5.442 local terms energy: -605.592240 where: bonds (distance) C4'-P energy: -124.844 bonds (distance) P-C4' energy: -110.066 flat angles C4'-P-C4' energy: -130.815 flat angles P-C4'-P energy: -89.866 tors. eta vs tors. theta energy: -150.001 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: 3 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1822.949626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.949626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.949626 (E_RNA) where: Base-Base interactions energy: -1238.345 where: short stacking energy: -554.280 Base-Backbone interact. energy: 0.281 local terms energy: -584.885884 where: bonds (distance) C4'-P energy: -108.789 bonds (distance) P-C4' energy: -119.515 flat angles C4'-P-C4' energy: -126.758 flat angles P-C4'-P energy: -74.717 tors. eta vs tors. theta energy: -155.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1714.050324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.050324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.050324 (E_RNA) where: Base-Base interactions energy: -1165.166 where: short stacking energy: -526.105 Base-Backbone interact. energy: -1.762 local terms energy: -547.121960 where: bonds (distance) C4'-P energy: -98.139 bonds (distance) P-C4' energy: -107.572 flat angles C4'-P-C4' energy: -114.360 flat angles P-C4'-P energy: -74.851 tors. eta vs tors. theta energy: -152.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1625.946883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.946883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.946883 (E_RNA) where: Base-Base interactions energy: -1123.723 where: short stacking energy: -470.990 Base-Backbone interact. energy: -4.442 local terms energy: -497.782151 where: bonds (distance) C4'-P energy: -109.950 bonds (distance) P-C4' energy: -85.375 flat angles C4'-P-C4' energy: -115.237 flat angles P-C4'-P energy: -78.668 tors. eta vs tors. theta energy: -108.552 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: 115 Temperature: 1.200000 Total energy: -1364.470679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.470679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.470679 (E_RNA) where: Base-Base interactions energy: -898.192 where: short stacking energy: -404.995 Base-Backbone interact. energy: 1.619 local terms energy: -467.898185 where: bonds (distance) C4'-P energy: -88.668 bonds (distance) P-C4' energy: -108.812 flat angles C4'-P-C4' energy: -101.923 flat angles P-C4'-P energy: -77.109 tors. eta vs tors. theta energy: -91.386 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: 1 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1235.467988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.467988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.467988 (E_RNA) where: Base-Base interactions energy: -808.282 where: short stacking energy: -332.570 Base-Backbone interact. energy: -1.596 local terms energy: -425.590474 where: bonds (distance) C4'-P energy: -97.363 bonds (distance) P-C4' energy: -110.679 flat angles C4'-P-C4' energy: -106.819 flat angles P-C4'-P energy: -56.303 tors. eta vs tors. theta energy: -54.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -791.935561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.935561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.935561 (E_RNA) where: Base-Base interactions energy: -425.721 where: short stacking energy: -225.737 Base-Backbone interact. energy: -2.890 local terms energy: -363.324560 where: bonds (distance) C4'-P energy: -95.737 bonds (distance) P-C4' energy: -118.300 flat angles C4'-P-C4' energy: -83.292 flat angles P-C4'-P energy: -60.800 tors. eta vs tors. theta energy: -5.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -631.459258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.459258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.459258 (E_RNA) where: Base-Base interactions energy: -273.335 where: short stacking energy: -162.554 Base-Backbone interact. energy: -1.878 local terms energy: -356.245633 where: bonds (distance) C4'-P energy: -97.414 bonds (distance) P-C4' energy: -110.491 flat angles C4'-P-C4' energy: -100.901 flat angles P-C4'-P energy: -55.379 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: 1, replica: 2 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2144.231209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.231209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.231209 (E_RNA) where: Base-Base interactions energy: -1488.455 where: short stacking energy: -644.766 Base-Backbone interact. energy: -0.487 local terms energy: -655.288967 where: bonds (distance) C4'-P energy: -120.716 bonds (distance) P-C4' energy: -127.622 flat angles C4'-P-C4' energy: -128.977 flat angles P-C4'-P energy: -87.036 tors. eta vs tors. theta energy: -190.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2051.133356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.133356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.133356 (E_RNA) where: Base-Base interactions energy: -1423.454 where: short stacking energy: -605.852 Base-Backbone interact. energy: -1.570 local terms energy: -626.109817 where: bonds (distance) C4'-P energy: -109.566 bonds (distance) P-C4' energy: -119.008 flat angles C4'-P-C4' energy: -135.246 flat angles P-C4'-P energy: -91.371 tors. eta vs tors. theta energy: -170.919 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: 7 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1974.207948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.207948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.207948 (E_RNA) where: Base-Base interactions energy: -1365.398 where: short stacking energy: -585.866 Base-Backbone interact. energy: 2.322 local terms energy: -611.132181 where: bonds (distance) C4'-P energy: -119.560 bonds (distance) P-C4' energy: -114.874 flat angles C4'-P-C4' energy: -130.516 flat angles P-C4'-P energy: -93.517 tors. eta vs tors. theta energy: -152.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1819.904900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.904900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.904900 (E_RNA) where: Base-Base interactions energy: -1252.807 where: short stacking energy: -531.469 Base-Backbone interact. energy: -1.600 local terms energy: -565.497939 where: bonds (distance) C4'-P energy: -125.229 bonds (distance) P-C4' energy: -105.773 flat angles C4'-P-C4' energy: -121.209 flat angles P-C4'-P energy: -78.441 tors. eta vs tors. theta energy: -134.846 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: 9 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1734.547170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.547170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.547170 (E_RNA) where: Base-Base interactions energy: -1181.436 where: short stacking energy: -539.225 Base-Backbone interact. energy: 3.183 local terms energy: -556.294567 where: bonds (distance) C4'-P energy: -104.909 bonds (distance) P-C4' energy: -115.012 flat angles C4'-P-C4' energy: -109.872 flat angles P-C4'-P energy: -79.038 tors. eta vs tors. theta energy: -147.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1589.110665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.110665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.110665 (E_RNA) where: Base-Base interactions energy: -1081.036 where: short stacking energy: -485.560 Base-Backbone interact. energy: 0.454 local terms energy: -508.528957 where: bonds (distance) C4'-P energy: -103.510 bonds (distance) P-C4' energy: -113.745 flat angles C4'-P-C4' energy: -118.244 flat angles P-C4'-P energy: -58.700 tors. eta vs tors. theta energy: -114.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1377.492659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.492659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.492659 (E_RNA) where: Base-Base interactions energy: -889.375 where: short stacking energy: -403.785 Base-Backbone interact. energy: -1.664 local terms energy: -486.452919 where: bonds (distance) C4'-P energy: -86.779 bonds (distance) P-C4' energy: -110.582 flat angles C4'-P-C4' energy: -112.138 flat angles P-C4'-P energy: -80.184 tors. eta vs tors. theta energy: -96.770 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: 1 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1296.343791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.343791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.343791 (E_RNA) where: Base-Base interactions energy: -844.223 where: short stacking energy: -358.461 Base-Backbone interact. energy: -3.590 local terms energy: -448.530474 where: bonds (distance) C4'-P energy: -94.136 bonds (distance) P-C4' energy: -107.498 flat angles C4'-P-C4' energy: -108.901 flat angles P-C4'-P energy: -57.657 tors. eta vs tors. theta energy: -80.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -772.652944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.652944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.652944 (E_RNA) where: Base-Base interactions energy: -421.329 where: short stacking energy: -239.935 Base-Backbone interact. energy: -0.544 local terms energy: -350.779524 where: bonds (distance) C4'-P energy: -105.629 bonds (distance) P-C4' energy: -105.634 flat angles C4'-P-C4' energy: -89.649 flat angles P-C4'-P energy: -37.234 tors. eta vs tors. theta energy: -12.633 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: 10, replica: 4 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -620.003858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.003858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.003858 (E_RNA) where: Base-Base interactions energy: -314.799 where: short stacking energy: -168.555 Base-Backbone interact. energy: 5.168 local terms energy: -310.373640 where: bonds (distance) C4'-P energy: -89.545 bonds (distance) P-C4' energy: -107.094 flat angles C4'-P-C4' energy: -79.278 flat angles P-C4'-P energy: -50.705 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: 1, replica: 2 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2117.098989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.098989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.098989 (E_RNA) where: Base-Base interactions energy: -1465.791 where: short stacking energy: -649.765 Base-Backbone interact. energy: -3.624 local terms energy: -647.683624 where: bonds (distance) C4'-P energy: -110.770 bonds (distance) P-C4' energy: -125.073 flat angles C4'-P-C4' energy: -129.665 flat angles P-C4'-P energy: -87.809 tors. eta vs tors. theta energy: -194.366 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: 2, replica: 5 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2075.518913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.518913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.518913 (E_RNA) where: Base-Base interactions energy: -1430.347 where: short stacking energy: -620.372 Base-Backbone interact. energy: -2.599 local terms energy: -642.572804 where: bonds (distance) C4'-P energy: -114.822 bonds (distance) P-C4' energy: -126.047 flat angles C4'-P-C4' energy: -137.791 flat angles P-C4'-P energy: -89.407 tors. eta vs tors. theta energy: -174.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1990.479025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.479025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.479025 (E_RNA) where: Base-Base interactions energy: -1374.646 where: short stacking energy: -578.767 Base-Backbone interact. energy: -4.679 local terms energy: -611.153840 where: bonds (distance) C4'-P energy: -110.687 bonds (distance) P-C4' energy: -119.631 flat angles C4'-P-C4' energy: -134.656 flat angles P-C4'-P energy: -85.529 tors. eta vs tors. theta energy: -160.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1819.130111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.130111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.130111 (E_RNA) where: Base-Base interactions energy: -1219.445 where: short stacking energy: -565.423 Base-Backbone interact. energy: -2.527 local terms energy: -597.157382 where: bonds (distance) C4'-P energy: -115.043 bonds (distance) P-C4' energy: -107.203 flat angles C4'-P-C4' energy: -139.260 flat angles P-C4'-P energy: -84.823 tors. eta vs tors. theta energy: -150.829 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: 9 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1757.772727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.772727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.772727 (E_RNA) where: Base-Base interactions energy: -1202.677 where: short stacking energy: -536.104 Base-Backbone interact. energy: 0.385 local terms energy: -555.481241 where: bonds (distance) C4'-P energy: -98.995 bonds (distance) P-C4' energy: -89.430 flat angles C4'-P-C4' energy: -127.656 flat angles P-C4'-P energy: -80.221 tors. eta vs tors. theta energy: -159.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1586.612779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.612779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.612779 (E_RNA) where: Base-Base interactions energy: -1067.705 where: short stacking energy: -450.621 Base-Backbone interact. energy: -3.077 local terms energy: -515.831226 where: bonds (distance) C4'-P energy: -101.643 bonds (distance) P-C4' energy: -123.717 flat angles C4'-P-C4' energy: -118.602 flat angles P-C4'-P energy: -76.538 tors. eta vs tors. theta energy: -95.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1457.655038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.655038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.655038 (E_RNA) where: Base-Base interactions energy: -972.319 where: short stacking energy: -436.630 Base-Backbone interact. energy: -1.685 local terms energy: -483.651160 where: bonds (distance) C4'-P energy: -95.223 bonds (distance) P-C4' energy: -107.328 flat angles C4'-P-C4' energy: -103.210 flat angles P-C4'-P energy: -72.092 tors. eta vs tors. theta energy: -105.798 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: 1 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1274.378804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.378804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.378804 (E_RNA) where: Base-Base interactions energy: -817.841 where: short stacking energy: -398.872 Base-Backbone interact. energy: 6.843 local terms energy: -463.380456 where: bonds (distance) C4'-P energy: -106.835 bonds (distance) P-C4' energy: -106.823 flat angles C4'-P-C4' energy: -112.771 flat angles P-C4'-P energy: -58.428 tors. eta vs tors. theta energy: -78.524 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: 9, replica: 6 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -825.513139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.513139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.513139 (E_RNA) where: Base-Base interactions energy: -468.408 where: short stacking energy: -249.291 Base-Backbone interact. energy: -1.957 local terms energy: -355.148181 where: bonds (distance) C4'-P energy: -94.713 bonds (distance) P-C4' energy: -107.849 flat angles C4'-P-C4' energy: -85.805 flat angles P-C4'-P energy: -40.837 tors. eta vs tors. theta energy: -25.944 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: 10, replica: 4 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -632.101333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.101333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.101333 (E_RNA) where: Base-Base interactions energy: -308.942 where: short stacking energy: -193.215 Base-Backbone interact. energy: 3.538 local terms energy: -326.696541 where: bonds (distance) C4'-P energy: -97.242 bonds (distance) P-C4' energy: -95.069 flat angles C4'-P-C4' energy: -79.887 flat angles P-C4'-P energy: -42.725 tors. eta vs tors. theta energy: -11.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2101.392744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.392744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.392744 (E_RNA) where: Base-Base interactions energy: -1450.083 where: short stacking energy: -620.458 Base-Backbone interact. energy: -3.207 local terms energy: -648.103011 where: bonds (distance) C4'-P energy: -123.986 bonds (distance) P-C4' energy: -124.931 flat angles C4'-P-C4' energy: -133.268 flat angles P-C4'-P energy: -91.561 tors. eta vs tors. theta energy: -174.357 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: 2 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2071.516392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.516392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.516392 (E_RNA) where: Base-Base interactions energy: -1446.093 where: short stacking energy: -640.436 Base-Backbone interact. energy: -0.980 local terms energy: -624.442909 where: bonds (distance) C4'-P energy: -121.766 bonds (distance) P-C4' energy: -115.239 flat angles C4'-P-C4' energy: -132.602 flat angles P-C4'-P energy: -80.974 tors. eta vs tors. theta energy: -173.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2008.277693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.277693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.277693 (E_RNA) where: Base-Base interactions energy: -1402.605 where: short stacking energy: -578.533 Base-Backbone interact. energy: -0.985 local terms energy: -604.687874 where: bonds (distance) C4'-P energy: -125.476 bonds (distance) P-C4' energy: -100.670 flat angles C4'-P-C4' energy: -138.332 flat angles P-C4'-P energy: -90.119 tors. eta vs tors. theta energy: -150.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1836.876392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.876392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.876392 (E_RNA) where: Base-Base interactions energy: -1241.657 where: short stacking energy: -538.806 Base-Backbone interact. energy: -3.842 local terms energy: -591.377763 where: bonds (distance) C4'-P energy: -115.911 bonds (distance) P-C4' energy: -120.369 flat angles C4'-P-C4' energy: -130.605 flat angles P-C4'-P energy: -69.512 tors. eta vs tors. theta energy: -154.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1743.758954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.758954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.758954 (E_RNA) where: Base-Base interactions energy: -1158.301 where: short stacking energy: -527.585 Base-Backbone interact. energy: -3.505 local terms energy: -581.953085 where: bonds (distance) C4'-P energy: -125.213 bonds (distance) P-C4' energy: -109.225 flat angles C4'-P-C4' energy: -126.362 flat angles P-C4'-P energy: -72.624 tors. eta vs tors. theta energy: -148.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1632.208966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.208966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.208966 (E_RNA) where: Base-Base interactions energy: -1062.224 where: short stacking energy: -473.552 Base-Backbone interact. energy: -3.265 local terms energy: -566.719853 where: bonds (distance) C4'-P energy: -111.675 bonds (distance) P-C4' energy: -123.563 flat angles C4'-P-C4' energy: -114.856 flat angles P-C4'-P energy: -86.406 tors. eta vs tors. theta energy: -130.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1438.613230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.613230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.613230 (E_RNA) where: Base-Base interactions energy: -974.388 where: short stacking energy: -413.918 Base-Backbone interact. energy: -1.237 local terms energy: -462.988659 where: bonds (distance) C4'-P energy: -97.213 bonds (distance) P-C4' energy: -99.395 flat angles C4'-P-C4' energy: -104.995 flat angles P-C4'-P energy: -64.722 tors. eta vs tors. theta energy: -96.663 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: 8, replica: 1 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1253.098710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.098710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.098710 (E_RNA) where: Base-Base interactions energy: -808.616 where: short stacking energy: -389.375 Base-Backbone interact. energy: -3.736 local terms energy: -440.746219 where: bonds (distance) C4'-P energy: -95.845 bonds (distance) P-C4' energy: -88.535 flat angles C4'-P-C4' energy: -108.050 flat angles P-C4'-P energy: -77.177 tors. eta vs tors. theta energy: -71.139 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: 6 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -897.096907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.096907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.096907 (E_RNA) where: Base-Base interactions energy: -522.620 where: short stacking energy: -287.157 Base-Backbone interact. energy: -1.654 local terms energy: -372.822096 where: bonds (distance) C4'-P energy: -93.889 bonds (distance) P-C4' energy: -89.917 flat angles C4'-P-C4' energy: -94.090 flat angles P-C4'-P energy: -56.533 tors. eta vs tors. theta energy: -38.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -583.135110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.135110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.135110 (E_RNA) where: Base-Base interactions energy: -291.950 where: short stacking energy: -165.689 Base-Backbone interact. energy: 2.674 local terms energy: -293.859105 where: bonds (distance) C4'-P energy: -78.987 bonds (distance) P-C4' energy: -100.098 flat angles C4'-P-C4' energy: -71.813 flat angles P-C4'-P energy: -53.531 tors. eta vs tors. theta energy: 10.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2120.816800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.816800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.816800 (E_RNA) where: Base-Base interactions energy: -1464.499 where: short stacking energy: -624.095 Base-Backbone interact. energy: 0.143 local terms energy: -656.460275 where: bonds (distance) C4'-P energy: -117.359 bonds (distance) P-C4' energy: -127.664 flat angles C4'-P-C4' energy: -142.179 flat angles P-C4'-P energy: -97.242 tors. eta vs tors. theta energy: -172.017 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: 2, replica: 2 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2075.893185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.893185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.893185 (E_RNA) where: Base-Base interactions energy: -1444.711 where: short stacking energy: -628.831 Base-Backbone interact. energy: -5.425 local terms energy: -625.757816 where: bonds (distance) C4'-P energy: -116.232 bonds (distance) P-C4' energy: -121.913 flat angles C4'-P-C4' energy: -137.585 flat angles P-C4'-P energy: -77.633 tors. eta vs tors. theta energy: -172.395 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: 7 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2004.815873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.815873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.815873 (E_RNA) where: Base-Base interactions energy: -1402.208 where: short stacking energy: -589.496 Base-Backbone interact. energy: 0.488 local terms energy: -603.095995 where: bonds (distance) C4'-P energy: -116.455 bonds (distance) P-C4' energy: -114.675 flat angles C4'-P-C4' energy: -123.913 flat angles P-C4'-P energy: -92.247 tors. eta vs tors. theta energy: -155.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1870.839153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.839153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.839153 (E_RNA) where: Base-Base interactions energy: -1267.501 where: short stacking energy: -559.927 Base-Backbone interact. energy: -4.685 local terms energy: -598.653831 where: bonds (distance) C4'-P energy: -118.785 bonds (distance) P-C4' energy: -108.978 flat angles C4'-P-C4' energy: -134.324 flat angles P-C4'-P energy: -78.978 tors. eta vs tors. theta energy: -157.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1733.883607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.883607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.883607 (E_RNA) where: Base-Base interactions energy: -1179.338 where: short stacking energy: -527.205 Base-Backbone interact. energy: -2.706 local terms energy: -551.839580 where: bonds (distance) C4'-P energy: -99.236 bonds (distance) P-C4' energy: -115.766 flat angles C4'-P-C4' energy: -118.379 flat angles P-C4'-P energy: -75.477 tors. eta vs tors. theta energy: -142.982 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: 8 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1654.993635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.993635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.993635 (E_RNA) where: Base-Base interactions energy: -1106.171 where: short stacking energy: -492.442 Base-Backbone interact. energy: -1.658 local terms energy: -547.164144 where: bonds (distance) C4'-P energy: -114.745 bonds (distance) P-C4' energy: -107.124 flat angles C4'-P-C4' energy: -120.426 flat angles P-C4'-P energy: -76.829 tors. eta vs tors. theta energy: -128.041 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: 10 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1432.512436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.512436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.512436 (E_RNA) where: Base-Base interactions energy: -934.129 where: short stacking energy: -430.927 Base-Backbone interact. energy: 0.066 local terms energy: -498.449139 where: bonds (distance) C4'-P energy: -114.385 bonds (distance) P-C4' energy: -104.320 flat angles C4'-P-C4' energy: -109.127 flat angles P-C4'-P energy: -75.549 tors. eta vs tors. theta energy: -95.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1183.931416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.931416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.931416 (E_RNA) where: Base-Base interactions energy: -728.479 where: short stacking energy: -332.386 Base-Backbone interact. energy: 2.369 local terms energy: -457.820877 where: bonds (distance) C4'-P energy: -100.749 bonds (distance) P-C4' energy: -101.539 flat angles C4'-P-C4' energy: -117.758 flat angles P-C4'-P energy: -77.799 tors. eta vs tors. theta energy: -59.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -932.150909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.150909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.150909 (E_RNA) where: Base-Base interactions energy: -535.853 where: short stacking energy: -283.539 Base-Backbone interact. energy: 0.836 local terms energy: -397.134147 where: bonds (distance) C4'-P energy: -90.218 bonds (distance) P-C4' energy: -113.813 flat angles C4'-P-C4' energy: -74.613 flat angles P-C4'-P energy: -72.104 tors. eta vs tors. theta energy: -46.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -534.510071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.510071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.510071 (E_RNA) where: Base-Base interactions energy: -212.909 where: short stacking energy: -146.008 Base-Backbone interact. energy: 8.856 local terms energy: -330.457120 where: bonds (distance) C4'-P energy: -106.910 bonds (distance) P-C4' energy: -105.705 flat angles C4'-P-C4' energy: -77.440 flat angles P-C4'-P energy: -48.448 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: 1, replica: 5 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2100.995309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.995309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.995309 (E_RNA) where: Base-Base interactions energy: -1427.828 where: short stacking energy: -604.007 Base-Backbone interact. energy: 1.317 local terms energy: -674.484888 where: bonds (distance) C4'-P energy: -128.388 bonds (distance) P-C4' energy: -132.613 flat angles C4'-P-C4' energy: -144.775 flat angles P-C4'-P energy: -99.199 tors. eta vs tors. theta energy: -169.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2098.473016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.473016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.473016 (E_RNA) where: Base-Base interactions energy: -1441.388 where: short stacking energy: -640.267 Base-Backbone interact. energy: -3.663 local terms energy: -653.421404 where: bonds (distance) C4'-P energy: -120.281 bonds (distance) P-C4' energy: -116.666 flat angles C4'-P-C4' energy: -143.430 flat angles P-C4'-P energy: -87.423 tors. eta vs tors. theta energy: -185.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1979.507422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.507422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.507422 (E_RNA) where: Base-Base interactions energy: -1383.395 where: short stacking energy: -588.594 Base-Backbone interact. energy: 3.617 local terms energy: -599.729611 where: bonds (distance) C4'-P energy: -106.342 bonds (distance) P-C4' energy: -118.703 flat angles C4'-P-C4' energy: -122.132 flat angles P-C4'-P energy: -95.879 tors. eta vs tors. theta energy: -156.674 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: 3 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1831.250638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.250638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.250638 (E_RNA) where: Base-Base interactions energy: -1253.833 where: short stacking energy: -544.971 Base-Backbone interact. energy: 2.265 local terms energy: -579.682446 where: bonds (distance) C4'-P energy: -110.585 bonds (distance) P-C4' energy: -111.968 flat angles C4'-P-C4' energy: -126.536 flat angles P-C4'-P energy: -77.067 tors. eta vs tors. theta energy: -153.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1689.521037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.521037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.521037 (E_RNA) where: Base-Base interactions energy: -1140.586 where: short stacking energy: -517.098 Base-Backbone interact. energy: -1.573 local terms energy: -547.362612 where: bonds (distance) C4'-P energy: -115.520 bonds (distance) P-C4' energy: -97.697 flat angles C4'-P-C4' energy: -113.097 flat angles P-C4'-P energy: -75.000 tors. eta vs tors. theta energy: -146.049 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: 6, replica: 8 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1630.774518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.774518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.774518 (E_RNA) where: Base-Base interactions energy: -1137.944 where: short stacking energy: -479.616 Base-Backbone interact. energy: -3.784 local terms energy: -489.046734 where: bonds (distance) C4'-P energy: -102.772 bonds (distance) P-C4' energy: -97.830 flat angles C4'-P-C4' energy: -111.493 flat angles P-C4'-P energy: -70.670 tors. eta vs tors. theta energy: -106.281 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: 120 Temperature: 1.200000 Total energy: -1408.860017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.860017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.860017 (E_RNA) where: Base-Base interactions energy: -914.135 where: short stacking energy: -425.548 Base-Backbone interact. energy: -2.083 local terms energy: -492.642314 where: bonds (distance) C4'-P energy: -96.190 bonds (distance) P-C4' energy: -122.209 flat angles C4'-P-C4' energy: -120.117 flat angles P-C4'-P energy: -64.146 tors. eta vs tors. theta energy: -89.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1116.654443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.654443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.654443 (E_RNA) where: Base-Base interactions energy: -704.460 where: short stacking energy: -325.722 Base-Backbone interact. energy: 1.813 local terms energy: -414.006924 where: bonds (distance) C4'-P energy: -85.759 bonds (distance) P-C4' energy: -95.416 flat angles C4'-P-C4' energy: -108.070 flat angles P-C4'-P energy: -73.037 tors. eta vs tors. theta energy: -51.724 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: 6 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -981.484505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.484505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.484505 (E_RNA) where: Base-Base interactions energy: -592.099 where: short stacking energy: -294.741 Base-Backbone interact. energy: 1.302 local terms energy: -390.687631 where: bonds (distance) C4'-P energy: -86.425 bonds (distance) P-C4' energy: -95.577 flat angles C4'-P-C4' energy: -96.555 flat angles P-C4'-P energy: -56.709 tors. eta vs tors. theta energy: -55.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -551.939386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.939386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.939386 (E_RNA) where: Base-Base interactions energy: -206.979 where: short stacking energy: -145.228 Base-Backbone interact. energy: -0.779 local terms energy: -344.181710 where: bonds (distance) C4'-P energy: -103.953 bonds (distance) P-C4' energy: -116.500 flat angles C4'-P-C4' energy: -90.145 flat angles P-C4'-P energy: -46.909 tors. eta vs tors. theta energy: 13.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2086.962739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.962739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.962739 (E_RNA) where: Base-Base interactions energy: -1449.750 where: short stacking energy: -623.463 Base-Backbone interact. energy: 0.207 local terms energy: -637.419224 where: bonds (distance) C4'-P energy: -113.908 bonds (distance) P-C4' energy: -119.417 flat angles C4'-P-C4' energy: -146.481 flat angles P-C4'-P energy: -91.533 tors. eta vs tors. theta energy: -166.080 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: 121 Temperature: 0.950000 Total energy: -2051.595600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.595600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.595600 (E_RNA) where: Base-Base interactions energy: -1421.386 where: short stacking energy: -608.998 Base-Backbone interact. energy: 1.564 local terms energy: -631.772706 where: bonds (distance) C4'-P energy: -122.629 bonds (distance) P-C4' energy: -121.151 flat angles C4'-P-C4' energy: -129.144 flat angles P-C4'-P energy: -89.128 tors. eta vs tors. theta energy: -169.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1969.206056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.206056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.206056 (E_RNA) where: Base-Base interactions energy: -1376.708 where: short stacking energy: -581.550 Base-Backbone interact. energy: -3.978 local terms energy: -588.520163 where: bonds (distance) C4'-P energy: -115.605 bonds (distance) P-C4' energy: -99.211 flat angles C4'-P-C4' energy: -131.163 flat angles P-C4'-P energy: -81.941 tors. eta vs tors. theta energy: -160.600 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: 3 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1783.259606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.259606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.259606 (E_RNA) where: Base-Base interactions energy: -1210.992 where: short stacking energy: -535.918 Base-Backbone interact. energy: -1.885 local terms energy: -570.382260 where: bonds (distance) C4'-P energy: -120.449 bonds (distance) P-C4' energy: -107.083 flat angles C4'-P-C4' energy: -124.286 flat angles P-C4'-P energy: -71.318 tors. eta vs tors. theta energy: -147.246 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: 9 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1688.878810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.878810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.878810 (E_RNA) where: Base-Base interactions energy: -1117.217 where: short stacking energy: -518.105 Base-Backbone interact. energy: -0.246 local terms energy: -571.415791 where: bonds (distance) C4'-P energy: -115.532 bonds (distance) P-C4' energy: -113.456 flat angles C4'-P-C4' energy: -127.844 flat angles P-C4'-P energy: -68.550 tors. eta vs tors. theta energy: -146.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1663.160719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.160719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.160719 (E_RNA) where: Base-Base interactions energy: -1165.439 where: short stacking energy: -496.330 Base-Backbone interact. energy: 0.371 local terms energy: -498.092688 where: bonds (distance) C4'-P energy: -90.701 bonds (distance) P-C4' energy: -100.977 flat angles C4'-P-C4' energy: -113.730 flat angles P-C4'-P energy: -67.818 tors. eta vs tors. theta energy: -124.867 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: 121 Temperature: 1.200000 Total energy: -1343.881143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.881143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.881143 (E_RNA) where: Base-Base interactions energy: -847.943 where: short stacking energy: -381.113 Base-Backbone interact. energy: -1.684 local terms energy: -494.254708 where: bonds (distance) C4'-P energy: -113.915 bonds (distance) P-C4' energy: -96.756 flat angles C4'-P-C4' energy: -115.236 flat angles P-C4'-P energy: -75.893 tors. eta vs tors. theta energy: -92.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1146.927530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.927530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.927530 (E_RNA) where: Base-Base interactions energy: -708.836 where: short stacking energy: -325.513 Base-Backbone interact. energy: -0.501 local terms energy: -437.591100 where: bonds (distance) C4'-P energy: -110.589 bonds (distance) P-C4' energy: -97.066 flat angles C4'-P-C4' energy: -99.466 flat angles P-C4'-P energy: -72.470 tors. eta vs tors. theta energy: -58.000 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: 6 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1090.753881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.753881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.753881 (E_RNA) where: Base-Base interactions energy: -707.599 where: short stacking energy: -325.943 Base-Backbone interact. energy: -0.247 local terms energy: -382.907719 where: bonds (distance) C4'-P energy: -86.328 bonds (distance) P-C4' energy: -101.981 flat angles C4'-P-C4' energy: -89.397 flat angles P-C4'-P energy: -61.470 tors. eta vs tors. theta energy: -43.732 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: 4 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -580.810339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.810339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.810339 (E_RNA) where: Base-Base interactions energy: -240.922 where: short stacking energy: -157.354 Base-Backbone interact. energy: 3.701 local terms energy: -343.589839 where: bonds (distance) C4'-P energy: -97.255 bonds (distance) P-C4' energy: -105.203 flat angles C4'-P-C4' energy: -85.527 flat angles P-C4'-P energy: -67.347 tors. eta vs tors. theta energy: 11.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2121.005280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.005280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.005280 (E_RNA) where: Base-Base interactions energy: -1475.356 where: short stacking energy: -612.975 Base-Backbone interact. energy: -2.614 local terms energy: -643.034593 where: bonds (distance) C4'-P energy: -126.375 bonds (distance) P-C4' energy: -121.720 flat angles C4'-P-C4' energy: -139.304 flat angles P-C4'-P energy: -80.426 tors. eta vs tors. theta energy: -175.210 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: 2 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2107.651567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.651567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.651567 (E_RNA) where: Base-Base interactions energy: -1437.215 where: short stacking energy: -667.558 Base-Backbone interact. energy: 0.246 local terms energy: -670.682410 where: bonds (distance) C4'-P energy: -107.332 bonds (distance) P-C4' energy: -130.240 flat angles C4'-P-C4' energy: -146.214 flat angles P-C4'-P energy: -90.241 tors. eta vs tors. theta energy: -196.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1955.793007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.793007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.793007 (E_RNA) where: Base-Base interactions energy: -1342.620 where: short stacking energy: -559.004 Base-Backbone interact. energy: -3.352 local terms energy: -609.820718 where: bonds (distance) C4'-P energy: -115.895 bonds (distance) P-C4' energy: -130.010 flat angles C4'-P-C4' energy: -137.431 flat angles P-C4'-P energy: -82.544 tors. eta vs tors. theta energy: -143.940 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: 4, replica: 3 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1788.186942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.186942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.186942 (E_RNA) where: Base-Base interactions energy: -1196.019 where: short stacking energy: -547.689 Base-Backbone interact. energy: -2.349 local terms energy: -589.819264 where: bonds (distance) C4'-P energy: -103.181 bonds (distance) P-C4' energy: -135.145 flat angles C4'-P-C4' energy: -130.416 flat angles P-C4'-P energy: -84.008 tors. eta vs tors. theta energy: -137.069 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: 5, replica: 8 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1701.181755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.181755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.181755 (E_RNA) where: Base-Base interactions energy: -1152.922 where: short stacking energy: -500.062 Base-Backbone interact. energy: 0.099 local terms energy: -548.358829 where: bonds (distance) C4'-P energy: -117.943 bonds (distance) P-C4' energy: -114.223 flat angles C4'-P-C4' energy: -127.731 flat angles P-C4'-P energy: -70.914 tors. eta vs tors. theta energy: -117.547 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: 6, replica: 9 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1595.457826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.457826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.457826 (E_RNA) where: Base-Base interactions energy: -1077.941 where: short stacking energy: -495.756 Base-Backbone interact. energy: -2.899 local terms energy: -514.617581 where: bonds (distance) C4'-P energy: -113.289 bonds (distance) P-C4' energy: -95.121 flat angles C4'-P-C4' energy: -111.803 flat angles P-C4'-P energy: -72.916 tors. eta vs tors. theta energy: -121.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1312.896716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.896716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.896716 (E_RNA) where: Base-Base interactions energy: -821.595 where: short stacking energy: -402.456 Base-Backbone interact. energy: -3.945 local terms energy: -487.357089 where: bonds (distance) C4'-P energy: -100.599 bonds (distance) P-C4' energy: -116.378 flat angles C4'-P-C4' energy: -117.062 flat angles P-C4'-P energy: -59.243 tors. eta vs tors. theta energy: -94.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1150.224015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.224015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.224015 (E_RNA) where: Base-Base interactions energy: -731.779 where: short stacking energy: -346.463 Base-Backbone interact. energy: -3.301 local terms energy: -415.144117 where: bonds (distance) C4'-P energy: -97.008 bonds (distance) P-C4' energy: -91.210 flat angles C4'-P-C4' energy: -100.801 flat angles P-C4'-P energy: -66.530 tors. eta vs tors. theta energy: -59.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1082.776366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.776366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.776366 (E_RNA) where: Base-Base interactions energy: -717.054 where: short stacking energy: -346.920 Base-Backbone interact. energy: -0.703 local terms energy: -365.019313 where: bonds (distance) C4'-P energy: -78.802 bonds (distance) P-C4' energy: -97.157 flat angles C4'-P-C4' energy: -96.463 flat angles P-C4'-P energy: -50.954 tors. eta vs tors. theta energy: -41.643 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: 10, replica: 4 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -626.364630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.364630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.364630 (E_RNA) where: Base-Base interactions energy: -299.081 where: short stacking energy: -189.048 Base-Backbone interact. energy: 0.131 local terms energy: -327.415037 where: bonds (distance) C4'-P energy: -106.992 bonds (distance) P-C4' energy: -97.135 flat angles C4'-P-C4' energy: -83.910 flat angles P-C4'-P energy: -51.059 tors. eta vs tors. theta energy: 11.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2105.604323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.604323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.604323 (E_RNA) where: Base-Base interactions energy: -1455.044 where: short stacking energy: -595.175 Base-Backbone interact. energy: -2.363 local terms energy: -648.196925 where: bonds (distance) C4'-P energy: -121.545 bonds (distance) P-C4' energy: -118.688 flat angles C4'-P-C4' energy: -151.637 flat angles P-C4'-P energy: -90.921 tors. eta vs tors. theta energy: -165.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2108.583943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.583943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.583943 (E_RNA) where: Base-Base interactions energy: -1449.856 where: short stacking energy: -631.202 Base-Backbone interact. energy: -0.175 local terms energy: -658.552222 where: bonds (distance) C4'-P energy: -125.393 bonds (distance) P-C4' energy: -120.063 flat angles C4'-P-C4' energy: -128.617 flat angles P-C4'-P energy: -94.010 tors. eta vs tors. theta energy: -190.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1966.053106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.053106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.053106 (E_RNA) where: Base-Base interactions energy: -1363.341 where: short stacking energy: -586.959 Base-Backbone interact. energy: -4.501 local terms energy: -598.211381 where: bonds (distance) C4'-P energy: -104.943 bonds (distance) P-C4' energy: -123.346 flat angles C4'-P-C4' energy: -128.007 flat angles P-C4'-P energy: -88.016 tors. eta vs tors. theta energy: -153.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1819.119841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.119841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.119841 (E_RNA) where: Base-Base interactions energy: -1241.347 where: short stacking energy: -548.233 Base-Backbone interact. energy: -1.351 local terms energy: -576.422156 where: bonds (distance) C4'-P energy: -105.748 bonds (distance) P-C4' energy: -115.037 flat angles C4'-P-C4' energy: -132.137 flat angles P-C4'-P energy: -73.608 tors. eta vs tors. theta energy: -149.892 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: 5, replica: 8 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1731.802116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.802116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.802116 (E_RNA) where: Base-Base interactions energy: -1175.041 where: short stacking energy: -522.691 Base-Backbone interact. energy: -1.641 local terms energy: -555.119788 where: bonds (distance) C4'-P energy: -91.765 bonds (distance) P-C4' energy: -124.071 flat angles C4'-P-C4' energy: -121.847 flat angles P-C4'-P energy: -82.913 tors. eta vs tors. theta energy: -134.524 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: 6, replica: 9 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1552.271720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.271720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.271720 (E_RNA) where: Base-Base interactions energy: -1003.673 where: short stacking energy: -456.796 Base-Backbone interact. energy: -3.956 local terms energy: -544.642228 where: bonds (distance) C4'-P energy: -92.869 bonds (distance) P-C4' energy: -126.989 flat angles C4'-P-C4' energy: -122.444 flat angles P-C4'-P energy: -78.840 tors. eta vs tors. theta energy: -123.501 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: 7, replica: 10 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1324.794209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.794209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.794209 (E_RNA) where: Base-Base interactions energy: -880.345 where: short stacking energy: -397.854 Base-Backbone interact. energy: -2.032 local terms energy: -442.417024 where: bonds (distance) C4'-P energy: -98.122 bonds (distance) P-C4' energy: -84.084 flat angles C4'-P-C4' energy: -118.073 flat angles P-C4'-P energy: -60.830 tors. eta vs tors. theta energy: -81.309 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: 123 Temperature: 1.250000 Total energy: -1182.925961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.925961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.925961 (E_RNA) where: Base-Base interactions energy: -738.571 where: short stacking energy: -324.047 Base-Backbone interact. energy: -2.252 local terms energy: -442.103190 where: bonds (distance) C4'-P energy: -94.361 bonds (distance) P-C4' energy: -120.537 flat angles C4'-P-C4' energy: -103.053 flat angles P-C4'-P energy: -70.233 tors. eta vs tors. theta energy: -53.919 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: 9, replica: 1 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1120.138058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.138058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.138058 (E_RNA) where: Base-Base interactions energy: -708.860 where: short stacking energy: -314.317 Base-Backbone interact. energy: 1.162 local terms energy: -412.440623 where: bonds (distance) C4'-P energy: -95.585 bonds (distance) P-C4' energy: -94.996 flat angles C4'-P-C4' energy: -102.203 flat angles P-C4'-P energy: -58.689 tors. eta vs tors. theta energy: -60.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -615.809651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.809651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.809651 (E_RNA) where: Base-Base interactions energy: -298.063 where: short stacking energy: -200.391 Base-Backbone interact. energy: -2.079 local terms energy: -315.667372 where: bonds (distance) C4'-P energy: -105.470 bonds (distance) P-C4' energy: -76.031 flat angles C4'-P-C4' energy: -89.099 flat angles P-C4'-P energy: -54.465 tors. eta vs tors. theta energy: 9.399 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: 1, replica: 2 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2145.608335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.608335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.608335 (E_RNA) where: Base-Base interactions energy: -1491.945 where: short stacking energy: -649.822 Base-Backbone interact. energy: -3.684 local terms energy: -649.979636 where: bonds (distance) C4'-P energy: -115.527 bonds (distance) P-C4' energy: -115.350 flat angles C4'-P-C4' energy: -146.571 flat angles P-C4'-P energy: -88.009 tors. eta vs tors. theta energy: -184.523 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: 2, replica: 5 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2062.657409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.657409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.657409 (E_RNA) where: Base-Base interactions energy: -1440.155 where: short stacking energy: -607.561 Base-Backbone interact. energy: -1.809 local terms energy: -620.693255 where: bonds (distance) C4'-P energy: -117.984 bonds (distance) P-C4' energy: -120.910 flat angles C4'-P-C4' energy: -133.679 flat angles P-C4'-P energy: -89.306 tors. eta vs tors. theta energy: -158.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1951.998286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.998286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.998286 (E_RNA) where: Base-Base interactions energy: -1352.117 where: short stacking energy: -568.028 Base-Backbone interact. energy: -0.542 local terms energy: -599.339694 where: bonds (distance) C4'-P energy: -119.176 bonds (distance) P-C4' energy: -114.409 flat angles C4'-P-C4' energy: -132.079 flat angles P-C4'-P energy: -86.678 tors. eta vs tors. theta energy: -146.998 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: 3 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1862.804082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.804082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.804082 (E_RNA) where: Base-Base interactions energy: -1276.649 where: short stacking energy: -548.628 Base-Backbone interact. energy: -2.610 local terms energy: -583.545768 where: bonds (distance) C4'-P energy: -111.956 bonds (distance) P-C4' energy: -111.425 flat angles C4'-P-C4' energy: -120.013 flat angles P-C4'-P energy: -79.700 tors. eta vs tors. theta energy: -160.453 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: 8 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1740.470113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.470113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.470113 (E_RNA) where: Base-Base interactions energy: -1196.360 where: short stacking energy: -523.941 Base-Backbone interact. energy: -1.331 local terms energy: -542.779053 where: bonds (distance) C4'-P energy: -119.904 bonds (distance) P-C4' energy: -101.602 flat angles C4'-P-C4' energy: -127.375 flat angles P-C4'-P energy: -70.287 tors. eta vs tors. theta energy: -123.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1503.936466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.936466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.936466 (E_RNA) where: Base-Base interactions energy: -947.422 where: short stacking energy: -451.703 Base-Backbone interact. energy: -0.906 local terms energy: -555.608780 where: bonds (distance) C4'-P energy: -111.518 bonds (distance) P-C4' energy: -110.599 flat angles C4'-P-C4' energy: -131.222 flat angles P-C4'-P energy: -79.539 tors. eta vs tors. theta energy: -122.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1388.771917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.771917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.771917 (E_RNA) where: Base-Base interactions energy: -922.078 where: short stacking energy: -416.740 Base-Backbone interact. energy: -1.669 local terms energy: -465.024345 where: bonds (distance) C4'-P energy: -110.782 bonds (distance) P-C4' energy: -109.929 flat angles C4'-P-C4' energy: -92.974 flat angles P-C4'-P energy: -49.325 tors. eta vs tors. theta energy: -102.014 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: 8, replica: 6 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1248.956658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.956658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.956658 (E_RNA) where: Base-Base interactions energy: -807.648 where: short stacking energy: -372.472 Base-Backbone interact. energy: -2.175 local terms energy: -439.133984 where: bonds (distance) C4'-P energy: -96.089 bonds (distance) P-C4' energy: -91.286 flat angles C4'-P-C4' energy: -97.841 flat angles P-C4'-P energy: -71.019 tors. eta vs tors. theta energy: -82.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1115.727387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.727387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.727387 (E_RNA) where: Base-Base interactions energy: -672.603 where: short stacking energy: -323.824 Base-Backbone interact. energy: 2.676 local terms energy: -445.801300 where: bonds (distance) C4'-P energy: -103.793 bonds (distance) P-C4' energy: -114.527 flat angles C4'-P-C4' energy: -101.377 flat angles P-C4'-P energy: -70.520 tors. eta vs tors. theta energy: -55.584 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: 4 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -641.273807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.273807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.273807 (E_RNA) where: Base-Base interactions energy: -318.358 where: short stacking energy: -188.779 Base-Backbone interact. energy: -1.198 local terms energy: -321.717484 where: bonds (distance) C4'-P energy: -100.198 bonds (distance) P-C4' energy: -96.425 flat angles C4'-P-C4' energy: -87.496 flat angles P-C4'-P energy: -45.264 tors. eta vs tors. theta energy: 7.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2155.781765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.781765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.781765 (E_RNA) where: Base-Base interactions energy: -1488.141 where: short stacking energy: -637.580 Base-Backbone interact. energy: -3.409 local terms energy: -664.230857 where: bonds (distance) C4'-P energy: -119.731 bonds (distance) P-C4' energy: -124.779 flat angles C4'-P-C4' energy: -138.506 flat angles P-C4'-P energy: -93.777 tors. eta vs tors. theta energy: -187.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2078.886275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.886275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.886275 (E_RNA) where: Base-Base interactions energy: -1452.819 where: short stacking energy: -593.893 Base-Backbone interact. energy: -0.578 local terms energy: -625.488945 where: bonds (distance) C4'-P energy: -107.725 bonds (distance) P-C4' energy: -130.442 flat angles C4'-P-C4' energy: -139.986 flat angles P-C4'-P energy: -76.316 tors. eta vs tors. theta energy: -171.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1963.075236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.075236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.075236 (E_RNA) where: Base-Base interactions energy: -1369.881 where: short stacking energy: -572.988 Base-Backbone interact. energy: -5.120 local terms energy: -588.073990 where: bonds (distance) C4'-P energy: -115.636 bonds (distance) P-C4' energy: -126.296 flat angles C4'-P-C4' energy: -107.590 flat angles P-C4'-P energy: -81.001 tors. eta vs tors. theta energy: -157.551 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: 4, replica: 3 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1856.925354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.925354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.925354 (E_RNA) where: Base-Base interactions energy: -1267.441 where: short stacking energy: -551.245 Base-Backbone interact. energy: -1.682 local terms energy: -587.802103 where: bonds (distance) C4'-P energy: -114.249 bonds (distance) P-C4' energy: -114.182 flat angles C4'-P-C4' energy: -120.075 flat angles P-C4'-P energy: -79.256 tors. eta vs tors. theta energy: -160.039 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: 5, replica: 8 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1653.226912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.226912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.226912 (E_RNA) where: Base-Base interactions energy: -1160.072 where: short stacking energy: -511.070 Base-Backbone interact. energy: -2.656 local terms energy: -490.498626 where: bonds (distance) C4'-P energy: -102.056 bonds (distance) P-C4' energy: -98.778 flat angles C4'-P-C4' energy: -117.114 flat angles P-C4'-P energy: -69.432 tors. eta vs tors. theta energy: -103.118 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: 9 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1547.815344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.815344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.815344 (E_RNA) where: Base-Base interactions energy: -1004.261 where: short stacking energy: -468.930 Base-Backbone interact. energy: 0.405 local terms energy: -543.959157 where: bonds (distance) C4'-P energy: -108.813 bonds (distance) P-C4' energy: -121.117 flat angles C4'-P-C4' energy: -116.148 flat angles P-C4'-P energy: -77.564 tors. eta vs tors. theta energy: -120.318 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: 10 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1401.290724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.290724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.290724 (E_RNA) where: Base-Base interactions energy: -936.816 where: short stacking energy: -425.791 Base-Backbone interact. energy: 1.778 local terms energy: -466.252943 where: bonds (distance) C4'-P energy: -97.595 bonds (distance) P-C4' energy: -103.781 flat angles C4'-P-C4' energy: -120.162 flat angles P-C4'-P energy: -51.604 tors. eta vs tors. theta energy: -93.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1293.697541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.697541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.697541 (E_RNA) where: Base-Base interactions energy: -843.405 where: short stacking energy: -381.266 Base-Backbone interact. energy: -3.101 local terms energy: -447.191660 where: bonds (distance) C4'-P energy: -81.926 bonds (distance) P-C4' energy: -118.776 flat angles C4'-P-C4' energy: -99.994 flat angles P-C4'-P energy: -58.558 tors. eta vs tors. theta energy: -87.938 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: 1 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1122.295748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.295748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.295748 (E_RNA) where: Base-Base interactions energy: -756.724 where: short stacking energy: -342.558 Base-Backbone interact. energy: 2.438 local terms energy: -368.010348 where: bonds (distance) C4'-P energy: -66.987 bonds (distance) P-C4' energy: -76.640 flat angles C4'-P-C4' energy: -100.862 flat angles P-C4'-P energy: -57.109 tors. eta vs tors. theta energy: -66.413 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: 10, replica: 4 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -601.060179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.060179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.060179 (E_RNA) where: Base-Base interactions energy: -282.332 where: short stacking energy: -168.918 Base-Backbone interact. energy: -1.664 local terms energy: -317.064079 where: bonds (distance) C4'-P energy: -106.416 bonds (distance) P-C4' energy: -102.528 flat angles C4'-P-C4' energy: -74.140 flat angles P-C4'-P energy: -52.104 tors. eta vs tors. theta energy: 18.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2150.947783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.947783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.947783 (E_RNA) where: Base-Base interactions energy: -1493.576 where: short stacking energy: -657.851 Base-Backbone interact. energy: -4.254 local terms energy: -653.116994 where: bonds (distance) C4'-P energy: -122.451 bonds (distance) P-C4' energy: -115.474 flat angles C4'-P-C4' energy: -138.809 flat angles P-C4'-P energy: -90.407 tors. eta vs tors. theta energy: -185.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2064.866517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.866517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.866517 (E_RNA) where: Base-Base interactions energy: -1410.133 where: short stacking energy: -602.229 Base-Backbone interact. energy: -3.366 local terms energy: -651.367354 where: bonds (distance) C4'-P energy: -123.818 bonds (distance) P-C4' energy: -131.744 flat angles C4'-P-C4' energy: -134.996 flat angles P-C4'-P energy: -92.216 tors. eta vs tors. theta energy: -168.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1981.771327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.771327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.771327 (E_RNA) where: Base-Base interactions energy: -1365.026 where: short stacking energy: -606.370 Base-Backbone interact. energy: -5.605 local terms energy: -611.139913 where: bonds (distance) C4'-P energy: -110.441 bonds (distance) P-C4' energy: -126.755 flat angles C4'-P-C4' energy: -131.147 flat angles P-C4'-P energy: -76.970 tors. eta vs tors. theta energy: -165.828 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: 3 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1889.495453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.495453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.495453 (E_RNA) where: Base-Base interactions energy: -1302.106 where: short stacking energy: -543.963 Base-Backbone interact. energy: -1.152 local terms energy: -586.237710 where: bonds (distance) C4'-P energy: -125.870 bonds (distance) P-C4' energy: -109.798 flat angles C4'-P-C4' energy: -119.559 flat angles P-C4'-P energy: -76.773 tors. eta vs tors. theta energy: -154.237 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: 5, replica: 8 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1689.417534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.417534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.417534 (E_RNA) where: Base-Base interactions energy: -1127.925 where: short stacking energy: -486.045 Base-Backbone interact. energy: -1.540 local terms energy: -559.952349 where: bonds (distance) C4'-P energy: -112.676 bonds (distance) P-C4' energy: -112.646 flat angles C4'-P-C4' energy: -118.400 flat angles P-C4'-P energy: -82.225 tors. eta vs tors. theta energy: -134.006 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: 9 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1527.313787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.313787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.313787 (E_RNA) where: Base-Base interactions energy: -1016.873 where: short stacking energy: -471.533 Base-Backbone interact. energy: 0.777 local terms energy: -511.217792 where: bonds (distance) C4'-P energy: -100.320 bonds (distance) P-C4' energy: -107.678 flat angles C4'-P-C4' energy: -110.404 flat angles P-C4'-P energy: -84.555 tors. eta vs tors. theta energy: -108.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1366.556042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.556042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.556042 (E_RNA) where: Base-Base interactions energy: -910.753 where: short stacking energy: -417.259 Base-Backbone interact. energy: -3.135 local terms energy: -452.668595 where: bonds (distance) C4'-P energy: -101.534 bonds (distance) P-C4' energy: -85.981 flat angles C4'-P-C4' energy: -103.807 flat angles P-C4'-P energy: -62.000 tors. eta vs tors. theta energy: -99.347 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: 6 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1316.667260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.667260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.667260 (E_RNA) where: Base-Base interactions energy: -859.442 where: short stacking energy: -394.470 Base-Backbone interact. energy: -0.164 local terms energy: -457.062021 where: bonds (distance) C4'-P energy: -92.816 bonds (distance) P-C4' energy: -110.146 flat angles C4'-P-C4' energy: -102.733 flat angles P-C4'-P energy: -66.597 tors. eta vs tors. theta energy: -84.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1180.659788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.659788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.659788 (E_RNA) where: Base-Base interactions energy: -717.671 where: short stacking energy: -340.917 Base-Backbone interact. energy: 1.690 local terms energy: -464.678491 where: bonds (distance) C4'-P energy: -104.865 bonds (distance) P-C4' energy: -121.445 flat angles C4'-P-C4' energy: -101.156 flat angles P-C4'-P energy: -66.482 tors. eta vs tors. theta energy: -70.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -605.641015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.641015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.641015 (E_RNA) where: Base-Base interactions energy: -288.784 where: short stacking energy: -184.143 Base-Backbone interact. energy: 5.142 local terms energy: -321.998477 where: bonds (distance) C4'-P energy: -86.888 bonds (distance) P-C4' energy: -105.988 flat angles C4'-P-C4' energy: -87.236 flat angles P-C4'-P energy: -44.340 tors. eta vs tors. theta energy: 2.454 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: 1, replica: 2 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2134.765884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.765884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.765884 (E_RNA) where: Base-Base interactions energy: -1464.345 where: short stacking energy: -650.720 Base-Backbone interact. energy: -4.175 local terms energy: -666.246101 where: bonds (distance) C4'-P energy: -130.877 bonds (distance) P-C4' energy: -126.346 flat angles C4'-P-C4' energy: -145.939 flat angles P-C4'-P energy: -88.082 tors. eta vs tors. theta energy: -175.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2066.234490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.234490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.234490 (E_RNA) where: Base-Base interactions energy: -1427.829 where: short stacking energy: -612.267 Base-Backbone interact. energy: -0.604 local terms energy: -637.801150 where: bonds (distance) C4'-P energy: -117.927 bonds (distance) P-C4' energy: -121.940 flat angles C4'-P-C4' energy: -128.484 flat angles P-C4'-P energy: -93.518 tors. eta vs tors. theta energy: -175.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1985.782259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.782259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.782259 (E_RNA) where: Base-Base interactions energy: -1381.909 where: short stacking energy: -591.337 Base-Backbone interact. energy: -4.486 local terms energy: -599.387263 where: bonds (distance) C4'-P energy: -105.802 bonds (distance) P-C4' energy: -111.097 flat angles C4'-P-C4' energy: -134.141 flat angles P-C4'-P energy: -88.088 tors. eta vs tors. theta energy: -160.259 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: 3 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1866.072296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.072296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.072296 (E_RNA) where: Base-Base interactions energy: -1269.747 where: short stacking energy: -549.522 Base-Backbone interact. energy: 0.448 local terms energy: -596.773735 where: bonds (distance) C4'-P energy: -119.158 bonds (distance) P-C4' energy: -109.087 flat angles C4'-P-C4' energy: -138.277 flat angles P-C4'-P energy: -71.064 tors. eta vs tors. theta energy: -159.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1662.411601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.411601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.411601 (E_RNA) where: Base-Base interactions energy: -1122.845 where: short stacking energy: -509.452 Base-Backbone interact. energy: -3.503 local terms energy: -536.063883 where: bonds (distance) C4'-P energy: -104.807 bonds (distance) P-C4' energy: -112.503 flat angles C4'-P-C4' energy: -119.426 flat angles P-C4'-P energy: -66.213 tors. eta vs tors. theta energy: -133.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1583.269775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.269775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.269775 (E_RNA) where: Base-Base interactions energy: -1044.149 where: short stacking energy: -494.425 Base-Backbone interact. energy: -1.625 local terms energy: -537.496089 where: bonds (distance) C4'-P energy: -108.975 bonds (distance) P-C4' energy: -101.983 flat angles C4'-P-C4' energy: -129.353 flat angles P-C4'-P energy: -70.452 tors. eta vs tors. theta energy: -126.733 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: 7, replica: 10 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1397.450989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.450989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.450989 (E_RNA) where: Base-Base interactions energy: -895.935 where: short stacking energy: -386.583 Base-Backbone interact. energy: 1.845 local terms energy: -503.360839 where: bonds (distance) C4'-P energy: -113.090 bonds (distance) P-C4' energy: -117.186 flat angles C4'-P-C4' energy: -121.144 flat angles P-C4'-P energy: -69.683 tors. eta vs tors. theta energy: -82.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1277.296675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.296675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.296675 (E_RNA) where: Base-Base interactions energy: -838.679 where: short stacking energy: -383.026 Base-Backbone interact. energy: -0.728 local terms energy: -437.889998 where: bonds (distance) C4'-P energy: -95.698 bonds (distance) P-C4' energy: -83.298 flat angles C4'-P-C4' energy: -105.707 flat angles P-C4'-P energy: -70.075 tors. eta vs tors. theta energy: -83.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1152.515121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.515121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.515121 (E_RNA) where: Base-Base interactions energy: -689.749 where: short stacking energy: -304.911 Base-Backbone interact. energy: -0.872 local terms energy: -461.893756 where: bonds (distance) C4'-P energy: -105.895 bonds (distance) P-C4' energy: -102.625 flat angles C4'-P-C4' energy: -109.496 flat angles P-C4'-P energy: -65.913 tors. eta vs tors. theta energy: -77.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -662.494615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.494615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.494615 (E_RNA) where: Base-Base interactions energy: -338.834 where: short stacking energy: -205.089 Base-Backbone interact. energy: 3.805 local terms energy: -327.466113 where: bonds (distance) C4'-P energy: -80.596 bonds (distance) P-C4' energy: -99.236 flat angles C4'-P-C4' energy: -95.614 flat angles P-C4'-P energy: -45.391 tors. eta vs tors. theta energy: -6.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2178.668339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.668339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.668339 (E_RNA) where: Base-Base interactions energy: -1502.990 where: short stacking energy: -648.212 Base-Backbone interact. energy: -1.866 local terms energy: -673.812273 where: bonds (distance) C4'-P energy: -127.660 bonds (distance) P-C4' energy: -126.319 flat angles C4'-P-C4' energy: -144.536 flat angles P-C4'-P energy: -88.236 tors. eta vs tors. theta energy: -187.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2030.157135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.157135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.157135 (E_RNA) where: Base-Base interactions energy: -1424.267 where: short stacking energy: -612.362 Base-Backbone interact. energy: -3.441 local terms energy: -602.448768 where: bonds (distance) C4'-P energy: -117.703 bonds (distance) P-C4' energy: -108.523 flat angles C4'-P-C4' energy: -123.807 flat angles P-C4'-P energy: -97.547 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: 3, replica: 7 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1973.812379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.812379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.812379 (E_RNA) where: Base-Base interactions energy: -1388.918 where: short stacking energy: -571.092 Base-Backbone interact. energy: -3.565 local terms energy: -581.329431 where: bonds (distance) C4'-P energy: -105.159 bonds (distance) P-C4' energy: -119.919 flat angles C4'-P-C4' energy: -134.232 flat angles P-C4'-P energy: -69.735 tors. eta vs tors. theta energy: -152.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1840.279868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.279868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.279868 (E_RNA) where: Base-Base interactions energy: -1254.240 where: short stacking energy: -549.447 Base-Backbone interact. energy: -3.344 local terms energy: -582.696296 where: bonds (distance) C4'-P energy: -118.589 bonds (distance) P-C4' energy: -120.359 flat angles C4'-P-C4' energy: -125.344 flat angles P-C4'-P energy: -74.174 tors. eta vs tors. theta energy: -144.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1673.765667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.765667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.765667 (E_RNA) where: Base-Base interactions energy: -1133.361 where: short stacking energy: -481.342 Base-Backbone interact. energy: -2.280 local terms energy: -538.124706 where: bonds (distance) C4'-P energy: -94.999 bonds (distance) P-C4' energy: -118.654 flat angles C4'-P-C4' energy: -130.706 flat angles P-C4'-P energy: -66.632 tors. eta vs tors. theta energy: -127.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1541.497804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.497804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.497804 (E_RNA) where: Base-Base interactions energy: -992.258 where: short stacking energy: -452.035 Base-Backbone interact. energy: 0.342 local terms energy: -549.581449 where: bonds (distance) C4'-P energy: -103.450 bonds (distance) P-C4' energy: -111.125 flat angles C4'-P-C4' energy: -130.508 flat angles P-C4'-P energy: -81.051 tors. eta vs tors. theta energy: -123.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1408.232572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.232572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.232572 (E_RNA) where: Base-Base interactions energy: -934.848 where: short stacking energy: -427.781 Base-Backbone interact. energy: 1.135 local terms energy: -474.520075 where: bonds (distance) C4'-P energy: -101.620 bonds (distance) P-C4' energy: -91.096 flat angles C4'-P-C4' energy: -104.405 flat angles P-C4'-P energy: -67.818 tors. eta vs tors. theta energy: -109.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1253.818807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.818807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.818807 (E_RNA) where: Base-Base interactions energy: -815.377 where: short stacking energy: -393.701 Base-Backbone interact. energy: 1.342 local terms energy: -439.783788 where: bonds (distance) C4'-P energy: -96.481 bonds (distance) P-C4' energy: -107.351 flat angles C4'-P-C4' energy: -102.725 flat angles P-C4'-P energy: -51.209 tors. eta vs tors. theta energy: -82.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1150.105291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.105291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.105291 (E_RNA) where: Base-Base interactions energy: -727.133 where: short stacking energy: -336.263 Base-Backbone interact. energy: 1.424 local terms energy: -424.397033 where: bonds (distance) C4'-P energy: -95.357 bonds (distance) P-C4' energy: -103.472 flat angles C4'-P-C4' energy: -107.529 flat angles P-C4'-P energy: -42.806 tors. eta vs tors. theta energy: -75.233 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: 10, replica: 4 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -732.368833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.368833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.368833 (E_RNA) where: Base-Base interactions energy: -393.030 where: short stacking energy: -197.319 Base-Backbone interact. energy: -2.993 local terms energy: -336.345725 where: bonds (distance) C4'-P energy: -78.943 bonds (distance) P-C4' energy: -99.365 flat angles C4'-P-C4' energy: -96.962 flat angles P-C4'-P energy: -53.982 tors. eta vs tors. theta energy: -7.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2167.102117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.102117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.102117 (E_RNA) where: Base-Base interactions energy: -1501.848 where: short stacking energy: -665.241 Base-Backbone interact. energy: -2.550 local terms energy: -662.704789 where: bonds (distance) C4'-P energy: -128.642 bonds (distance) P-C4' energy: -127.801 flat angles C4'-P-C4' energy: -144.283 flat angles P-C4'-P energy: -74.608 tors. eta vs tors. theta energy: -187.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2052.991839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.991839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.991839 (E_RNA) where: Base-Base interactions energy: -1412.103 where: short stacking energy: -596.620 Base-Backbone interact. energy: -1.970 local terms energy: -638.918565 where: bonds (distance) C4'-P energy: -115.475 bonds (distance) P-C4' energy: -133.079 flat angles C4'-P-C4' energy: -141.280 flat angles P-C4'-P energy: -84.446 tors. eta vs tors. theta energy: -164.639 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: 7 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1925.047372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.047372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.047372 (E_RNA) where: Base-Base interactions energy: -1322.378 where: short stacking energy: -580.933 Base-Backbone interact. energy: -2.565 local terms energy: -600.104553 where: bonds (distance) C4'-P energy: -119.389 bonds (distance) P-C4' energy: -114.777 flat angles C4'-P-C4' energy: -134.348 flat angles P-C4'-P energy: -81.355 tors. eta vs tors. theta energy: -150.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1839.887924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.887924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.887924 (E_RNA) where: Base-Base interactions energy: -1267.920 where: short stacking energy: -549.552 Base-Backbone interact. energy: -3.164 local terms energy: -568.803522 where: bonds (distance) C4'-P energy: -111.966 bonds (distance) P-C4' energy: -108.930 flat angles C4'-P-C4' energy: -126.849 flat angles P-C4'-P energy: -72.962 tors. eta vs tors. theta energy: -148.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1714.972487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.972487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.972487 (E_RNA) where: Base-Base interactions energy: -1148.931 where: short stacking energy: -505.037 Base-Backbone interact. energy: 3.686 local terms energy: -569.728187 where: bonds (distance) C4'-P energy: -114.416 bonds (distance) P-C4' energy: -113.026 flat angles C4'-P-C4' energy: -128.792 flat angles P-C4'-P energy: -76.139 tors. eta vs tors. theta energy: -137.354 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: 9 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1551.784068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.784068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.784068 (E_RNA) where: Base-Base interactions energy: -1049.945 where: short stacking energy: -464.175 Base-Backbone interact. energy: -0.051 local terms energy: -501.788128 where: bonds (distance) C4'-P energy: -103.508 bonds (distance) P-C4' energy: -111.160 flat angles C4'-P-C4' energy: -97.638 flat angles P-C4'-P energy: -70.419 tors. eta vs tors. theta energy: -119.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1430.526493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.526493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.526493 (E_RNA) where: Base-Base interactions energy: -956.620 where: short stacking energy: -421.617 Base-Backbone interact. energy: 0.747 local terms energy: -474.654256 where: bonds (distance) C4'-P energy: -95.020 bonds (distance) P-C4' energy: -104.287 flat angles C4'-P-C4' energy: -98.337 flat angles P-C4'-P energy: -73.282 tors. eta vs tors. theta energy: -103.728 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: 8, replica: 6 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1304.810114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.810114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.810114 (E_RNA) where: Base-Base interactions energy: -827.627 where: short stacking energy: -375.354 Base-Backbone interact. energy: -3.455 local terms energy: -473.727917 where: bonds (distance) C4'-P energy: -93.861 bonds (distance) P-C4' energy: -124.996 flat angles C4'-P-C4' energy: -105.412 flat angles P-C4'-P energy: -64.593 tors. eta vs tors. theta energy: -84.866 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: 1 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1114.148259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.148259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.148259 (E_RNA) where: Base-Base interactions energy: -723.042 where: short stacking energy: -318.916 Base-Backbone interact. energy: 1.684 local terms energy: -392.790442 where: bonds (distance) C4'-P energy: -85.716 bonds (distance) P-C4' energy: -89.035 flat angles C4'-P-C4' energy: -99.835 flat angles P-C4'-P energy: -63.480 tors. eta vs tors. theta energy: -54.725 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: 4 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -739.331077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.331077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.331077 (E_RNA) where: Base-Base interactions energy: -391.692 where: short stacking energy: -202.812 Base-Backbone interact. energy: -1.941 local terms energy: -345.698195 where: bonds (distance) C4'-P energy: -92.384 bonds (distance) P-C4' energy: -82.974 flat angles C4'-P-C4' energy: -97.992 flat angles P-C4'-P energy: -53.992 tors. eta vs tors. theta energy: -18.356 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: 2 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2142.293059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.293059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.293059 (E_RNA) where: Base-Base interactions energy: -1489.125 where: short stacking energy: -642.383 Base-Backbone interact. energy: -2.852 local terms energy: -650.316104 where: bonds (distance) C4'-P energy: -125.170 bonds (distance) P-C4' energy: -119.688 flat angles C4'-P-C4' energy: -133.709 flat angles P-C4'-P energy: -89.864 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: 2, replica: 5 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2064.478354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.478354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.478354 (E_RNA) where: Base-Base interactions energy: -1425.048 where: short stacking energy: -623.772 Base-Backbone interact. energy: -0.585 local terms energy: -638.845857 where: bonds (distance) C4'-P energy: -126.680 bonds (distance) P-C4' energy: -118.766 flat angles C4'-P-C4' energy: -138.347 flat angles P-C4'-P energy: -85.963 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: 3, replica: 3 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1931.644091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.644091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.644091 (E_RNA) where: Base-Base interactions energy: -1349.669 where: short stacking energy: -571.893 Base-Backbone interact. energy: -1.279 local terms energy: -580.696354 where: bonds (distance) C4'-P energy: -120.974 bonds (distance) P-C4' energy: -115.638 flat angles C4'-P-C4' energy: -120.889 flat angles P-C4'-P energy: -65.588 tors. eta vs tors. theta energy: -157.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1838.283379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.283379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.283379 (E_RNA) where: Base-Base interactions energy: -1253.856 where: short stacking energy: -528.839 Base-Backbone interact. energy: -5.176 local terms energy: -579.251224 where: bonds (distance) C4'-P energy: -103.943 bonds (distance) P-C4' energy: -122.995 flat angles C4'-P-C4' energy: -132.627 flat angles P-C4'-P energy: -78.941 tors. eta vs tors. theta energy: -140.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1682.123457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.123457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.123457 (E_RNA) where: Base-Base interactions energy: -1123.438 where: short stacking energy: -514.366 Base-Backbone interact. energy: -1.046 local terms energy: -557.639711 where: bonds (distance) C4'-P energy: -116.047 bonds (distance) P-C4' energy: -120.251 flat angles C4'-P-C4' energy: -108.480 flat angles P-C4'-P energy: -81.790 tors. eta vs tors. theta energy: -131.072 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: 9 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1596.454259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.454259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.454259 (E_RNA) where: Base-Base interactions energy: -1079.819 where: short stacking energy: -473.413 Base-Backbone interact. energy: -0.073 local terms energy: -516.562116 where: bonds (distance) C4'-P energy: -109.641 bonds (distance) P-C4' energy: -99.671 flat angles C4'-P-C4' energy: -123.416 flat angles P-C4'-P energy: -49.450 tors. eta vs tors. theta energy: -134.383 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: 10 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1443.376515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.376515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.376515 (E_RNA) where: Base-Base interactions energy: -964.186 where: short stacking energy: -434.121 Base-Backbone interact. energy: -1.417 local terms energy: -477.773297 where: bonds (distance) C4'-P energy: -93.141 bonds (distance) P-C4' energy: -99.041 flat angles C4'-P-C4' energy: -103.152 flat angles P-C4'-P energy: -64.975 tors. eta vs tors. theta energy: -117.464 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: 8, replica: 6 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1276.561482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.561482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.561482 (E_RNA) where: Base-Base interactions energy: -810.054 where: short stacking energy: -360.725 Base-Backbone interact. energy: -2.655 local terms energy: -463.852381 where: bonds (distance) C4'-P energy: -97.132 bonds (distance) P-C4' energy: -119.674 flat angles C4'-P-C4' energy: -109.060 flat angles P-C4'-P energy: -52.372 tors. eta vs tors. theta energy: -85.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1045.327845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.327845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.327845 (E_RNA) where: Base-Base interactions energy: -587.436 where: short stacking energy: -281.324 Base-Backbone interact. energy: -2.459 local terms energy: -455.432550 where: bonds (distance) C4'-P energy: -116.269 bonds (distance) P-C4' energy: -120.175 flat angles C4'-P-C4' energy: -113.057 flat angles P-C4'-P energy: -51.822 tors. eta vs tors. theta energy: -54.110 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: 4 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -616.655314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.655314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.655314 (E_RNA) where: Base-Base interactions energy: -283.089 where: short stacking energy: -164.662 Base-Backbone interact. energy: -2.467 local terms energy: -331.099055 where: bonds (distance) C4'-P energy: -103.037 bonds (distance) P-C4' energy: -109.075 flat angles C4'-P-C4' energy: -67.636 flat angles P-C4'-P energy: -62.491 tors. eta vs tors. theta energy: 11.139 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: 1, replica: 2 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2143.997942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.997942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.997942 (E_RNA) where: Base-Base interactions energy: -1476.647 where: short stacking energy: -648.080 Base-Backbone interact. energy: -3.104 local terms energy: -664.246927 where: bonds (distance) C4'-P energy: -132.745 bonds (distance) P-C4' energy: -123.466 flat angles C4'-P-C4' energy: -139.805 flat angles P-C4'-P energy: -90.900 tors. eta vs tors. theta energy: -177.330 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: 2, replica: 5 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2042.769672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.769672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.769672 (E_RNA) where: Base-Base interactions energy: -1412.548 where: short stacking energy: -597.757 Base-Backbone interact. energy: -2.973 local terms energy: -627.249034 where: bonds (distance) C4'-P energy: -106.832 bonds (distance) P-C4' energy: -118.343 flat angles C4'-P-C4' energy: -139.657 flat angles P-C4'-P energy: -95.062 tors. eta vs tors. theta energy: -167.355 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: 3, replica: 3 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1918.331823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.331823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.331823 (E_RNA) where: Base-Base interactions energy: -1302.425 where: short stacking energy: -544.226 Base-Backbone interact. energy: 3.138 local terms energy: -619.044844 where: bonds (distance) C4'-P energy: -109.711 bonds (distance) P-C4' energy: -132.106 flat angles C4'-P-C4' energy: -138.024 flat angles P-C4'-P energy: -90.629 tors. eta vs tors. theta energy: -148.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1877.459404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.459404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.459404 (E_RNA) where: Base-Base interactions energy: -1267.271 where: short stacking energy: -552.968 Base-Backbone interact. energy: -5.903 local terms energy: -604.285377 where: bonds (distance) C4'-P energy: -105.637 bonds (distance) P-C4' energy: -125.797 flat angles C4'-P-C4' energy: -130.055 flat angles P-C4'-P energy: -95.418 tors. eta vs tors. theta energy: -147.378 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: 8 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1614.751579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.751579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.751579 (E_RNA) where: Base-Base interactions energy: -1082.400 where: short stacking energy: -495.532 Base-Backbone interact. energy: -0.030 local terms energy: -532.322045 where: bonds (distance) C4'-P energy: -108.449 bonds (distance) P-C4' energy: -115.066 flat angles C4'-P-C4' energy: -110.950 flat angles P-C4'-P energy: -70.420 tors. eta vs tors. theta energy: -127.437 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: 9 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1619.142874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.142874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.142874 (E_RNA) where: Base-Base interactions energy: -1098.335 where: short stacking energy: -484.952 Base-Backbone interact. energy: -2.299 local terms energy: -518.508652 where: bonds (distance) C4'-P energy: -101.506 bonds (distance) P-C4' energy: -110.129 flat angles C4'-P-C4' energy: -95.694 flat angles P-C4'-P energy: -84.260 tors. eta vs tors. theta energy: -126.920 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: 131 Temperature: 1.200000 Total energy: -1521.069509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.069509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.069509 (E_RNA) where: Base-Base interactions energy: -989.336 where: short stacking energy: -438.010 Base-Backbone interact. energy: -0.308 local terms energy: -531.425489 where: bonds (distance) C4'-P energy: -115.917 bonds (distance) P-C4' energy: -105.686 flat angles C4'-P-C4' energy: -106.623 flat angles P-C4'-P energy: -80.555 tors. eta vs tors. theta energy: -122.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1260.755361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.755361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.755361 (E_RNA) where: Base-Base interactions energy: -813.495 where: short stacking energy: -351.679 Base-Backbone interact. energy: -1.511 local terms energy: -445.749559 where: bonds (distance) C4'-P energy: -97.784 bonds (distance) P-C4' energy: -98.485 flat angles C4'-P-C4' energy: -105.490 flat angles P-C4'-P energy: -63.219 tors. eta vs tors. theta energy: -80.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1142.551871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.551871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.551871 (E_RNA) where: Base-Base interactions energy: -726.386 where: short stacking energy: -335.071 Base-Backbone interact. energy: -2.825 local terms energy: -413.340577 where: bonds (distance) C4'-P energy: -95.616 bonds (distance) P-C4' energy: -106.687 flat angles C4'-P-C4' energy: -88.261 flat angles P-C4'-P energy: -60.208 tors. eta vs tors. theta energy: -62.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -627.153701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.153701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.153701 (E_RNA) where: Base-Base interactions energy: -272.939 where: short stacking energy: -167.084 Base-Backbone interact. energy: -3.034 local terms energy: -351.180178 where: bonds (distance) C4'-P energy: -88.941 bonds (distance) P-C4' energy: -113.617 flat angles C4'-P-C4' energy: -108.295 flat angles P-C4'-P energy: -48.144 tors. eta vs tors. theta energy: 7.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2140.977236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.977236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.977236 (E_RNA) where: Base-Base interactions energy: -1475.127 where: short stacking energy: -659.716 Base-Backbone interact. energy: 0.630 local terms energy: -666.479988 where: bonds (distance) C4'-P energy: -126.965 bonds (distance) P-C4' energy: -123.577 flat angles C4'-P-C4' energy: -143.572 flat angles P-C4'-P energy: -85.155 tors. eta vs tors. theta energy: -187.211 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: 5 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2072.331413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.331413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.331413 (E_RNA) where: Base-Base interactions energy: -1445.792 where: short stacking energy: -610.406 Base-Backbone interact. energy: -1.312 local terms energy: -625.227597 where: bonds (distance) C4'-P energy: -124.738 bonds (distance) P-C4' energy: -105.396 flat angles C4'-P-C4' energy: -134.106 flat angles P-C4'-P energy: -91.991 tors. eta vs tors. theta energy: -168.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1940.152276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.152276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.152276 (E_RNA) where: Base-Base interactions energy: -1335.953 where: short stacking energy: -597.200 Base-Backbone interact. energy: -1.577 local terms energy: -602.621782 where: bonds (distance) C4'-P energy: -110.601 bonds (distance) P-C4' energy: -114.913 flat angles C4'-P-C4' energy: -132.885 flat angles P-C4'-P energy: -81.274 tors. eta vs tors. theta energy: -162.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1857.631906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.631906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.631906 (E_RNA) where: Base-Base interactions energy: -1275.473 where: short stacking energy: -584.739 Base-Backbone interact. energy: -5.681 local terms energy: -576.478393 where: bonds (distance) C4'-P energy: -100.230 bonds (distance) P-C4' energy: -109.416 flat angles C4'-P-C4' energy: -127.053 flat angles P-C4'-P energy: -81.022 tors. eta vs tors. theta energy: -158.757 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: 5, replica: 9 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1657.505196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.505196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.505196 (E_RNA) where: Base-Base interactions energy: -1128.662 where: short stacking energy: -509.720 Base-Backbone interact. energy: -2.238 local terms energy: -526.604410 where: bonds (distance) C4'-P energy: -95.338 bonds (distance) P-C4' energy: -102.918 flat angles C4'-P-C4' energy: -122.255 flat angles P-C4'-P energy: -77.951 tors. eta vs tors. theta energy: -128.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1569.896031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.896031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.896031 (E_RNA) where: Base-Base interactions energy: -1075.953 where: short stacking energy: -472.373 Base-Backbone interact. energy: -0.087 local terms energy: -493.855816 where: bonds (distance) C4'-P energy: -95.343 bonds (distance) P-C4' energy: -104.318 flat angles C4'-P-C4' energy: -107.948 flat angles P-C4'-P energy: -68.921 tors. eta vs tors. theta energy: -117.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1430.612320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.612320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.612320 (E_RNA) where: Base-Base interactions energy: -926.704 where: short stacking energy: -430.105 Base-Backbone interact. energy: 1.205 local terms energy: -505.114116 where: bonds (distance) C4'-P energy: -98.319 bonds (distance) P-C4' energy: -102.328 flat angles C4'-P-C4' energy: -110.169 flat angles P-C4'-P energy: -78.039 tors. eta vs tors. theta energy: -116.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1300.718570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.718570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.718570 (E_RNA) where: Base-Base interactions energy: -860.398 where: short stacking energy: -373.955 Base-Backbone interact. energy: 0.071 local terms energy: -440.391128 where: bonds (distance) C4'-P energy: -102.437 bonds (distance) P-C4' energy: -111.049 flat angles C4'-P-C4' energy: -84.390 flat angles P-C4'-P energy: -62.581 tors. eta vs tors. theta energy: -79.934 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: 1 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1019.412372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.412372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.412372 (E_RNA) where: Base-Base interactions energy: -621.955 where: short stacking energy: -258.378 Base-Backbone interact. energy: 1.892 local terms energy: -399.349982 where: bonds (distance) C4'-P energy: -95.687 bonds (distance) P-C4' energy: -108.230 flat angles C4'-P-C4' energy: -99.161 flat angles P-C4'-P energy: -60.488 tors. eta vs tors. theta energy: -35.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -617.094023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.094023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.094023 (E_RNA) where: Base-Base interactions energy: -305.965 where: short stacking energy: -181.366 Base-Backbone interact. energy: 2.013 local terms energy: -313.141965 where: bonds (distance) C4'-P energy: -116.042 bonds (distance) P-C4' energy: -80.993 flat angles C4'-P-C4' energy: -73.359 flat angles P-C4'-P energy: -49.134 tors. eta vs tors. theta energy: 6.386 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: 2 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2133.693091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.693091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.693091 (E_RNA) where: Base-Base interactions energy: -1459.568 where: short stacking energy: -631.569 Base-Backbone interact. energy: -3.088 local terms energy: -671.037311 where: bonds (distance) C4'-P energy: -130.146 bonds (distance) P-C4' energy: -123.981 flat angles C4'-P-C4' energy: -137.417 flat angles P-C4'-P energy: -91.784 tors. eta vs tors. theta energy: -187.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2052.395988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.395988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.395988 (E_RNA) where: Base-Base interactions energy: -1430.511 where: short stacking energy: -611.280 Base-Backbone interact. energy: -2.007 local terms energy: -619.877944 where: bonds (distance) C4'-P energy: -122.306 bonds (distance) P-C4' energy: -132.177 flat angles C4'-P-C4' energy: -131.684 flat angles P-C4'-P energy: -69.825 tors. eta vs tors. theta energy: -163.886 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: 3 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1965.094292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.094292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.094292 (E_RNA) where: Base-Base interactions energy: -1355.493 where: short stacking energy: -571.415 Base-Backbone interact. energy: -1.265 local terms energy: -608.336618 where: bonds (distance) C4'-P energy: -109.991 bonds (distance) P-C4' energy: -125.131 flat angles C4'-P-C4' energy: -123.764 flat angles P-C4'-P energy: -88.025 tors. eta vs tors. theta energy: -161.426 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: 7 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1831.700681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.700681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.700681 (E_RNA) where: Base-Base interactions energy: -1249.859 where: short stacking energy: -595.664 Base-Backbone interact. energy: -1.786 local terms energy: -580.054882 where: bonds (distance) C4'-P energy: -101.020 bonds (distance) P-C4' energy: -113.171 flat angles C4'-P-C4' energy: -135.298 flat angles P-C4'-P energy: -80.212 tors. eta vs tors. theta energy: -150.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1670.358335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.358335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.358335 (E_RNA) where: Base-Base interactions energy: -1138.644 where: short stacking energy: -521.300 Base-Backbone interact. energy: 0.233 local terms energy: -531.947266 where: bonds (distance) C4'-P energy: -106.541 bonds (distance) P-C4' energy: -104.169 flat angles C4'-P-C4' energy: -121.681 flat angles P-C4'-P energy: -75.171 tors. eta vs tors. theta energy: -124.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1517.569784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.569784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.569784 (E_RNA) where: Base-Base interactions energy: -1011.037 where: short stacking energy: -462.678 Base-Backbone interact. energy: 0.095 local terms energy: -506.627458 where: bonds (distance) C4'-P energy: -107.422 bonds (distance) P-C4' energy: -109.927 flat angles C4'-P-C4' energy: -120.329 flat angles P-C4'-P energy: -55.570 tors. eta vs tors. theta energy: -113.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1437.500398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.500398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.500398 (E_RNA) where: Base-Base interactions energy: -964.426 where: short stacking energy: -411.742 Base-Backbone interact. energy: -0.478 local terms energy: -472.595876 where: bonds (distance) C4'-P energy: -90.017 bonds (distance) P-C4' energy: -110.422 flat angles C4'-P-C4' energy: -99.331 flat angles P-C4'-P energy: -69.203 tors. eta vs tors. theta energy: -103.623 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: 6 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1301.888648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.888648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.888648 (E_RNA) where: Base-Base interactions energy: -857.568 where: short stacking energy: -381.040 Base-Backbone interact. energy: -2.688 local terms energy: -441.631739 where: bonds (distance) C4'-P energy: -98.298 bonds (distance) P-C4' energy: -110.269 flat angles C4'-P-C4' energy: -108.274 flat angles P-C4'-P energy: -42.113 tors. eta vs tors. theta energy: -82.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1118.242451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.242451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.242451 (E_RNA) where: Base-Base interactions energy: -734.966 where: short stacking energy: -324.473 Base-Backbone interact. energy: -0.664 local terms energy: -382.612274 where: bonds (distance) C4'-P energy: -85.364 bonds (distance) P-C4' energy: -108.323 flat angles C4'-P-C4' energy: -94.437 flat angles P-C4'-P energy: -54.189 tors. eta vs tors. theta energy: -40.299 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: 10, replica: 4 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -642.585961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.585961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.585961 (E_RNA) where: Base-Base interactions energy: -308.698 where: short stacking energy: -177.242 Base-Backbone interact. energy: 0.600 local terms energy: -334.488099 where: bonds (distance) C4'-P energy: -108.444 bonds (distance) P-C4' energy: -106.359 flat angles C4'-P-C4' energy: -94.487 flat angles P-C4'-P energy: -34.427 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: 134 Temperature: 0.900000 Total energy: -2134.779413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.779413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.779413 (E_RNA) where: Base-Base interactions energy: -1500.185 where: short stacking energy: -648.994 Base-Backbone interact. energy: -2.309 local terms energy: -632.285347 where: bonds (distance) C4'-P energy: -126.524 bonds (distance) P-C4' energy: -108.526 flat angles C4'-P-C4' energy: -135.948 flat angles P-C4'-P energy: -76.823 tors. eta vs tors. theta energy: -184.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2065.998652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.998652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.998652 (E_RNA) where: Base-Base interactions energy: -1429.987 where: short stacking energy: -588.888 Base-Backbone interact. energy: -3.412 local terms energy: -632.599035 where: bonds (distance) C4'-P energy: -116.292 bonds (distance) P-C4' energy: -123.711 flat angles C4'-P-C4' energy: -133.825 flat angles P-C4'-P energy: -95.545 tors. eta vs tors. theta energy: -163.226 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: 3 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1981.884576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.884576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.884576 (E_RNA) where: Base-Base interactions energy: -1364.921 where: short stacking energy: -595.720 Base-Backbone interact. energy: 0.602 local terms energy: -617.565564 where: bonds (distance) C4'-P energy: -120.675 bonds (distance) P-C4' energy: -107.983 flat angles C4'-P-C4' energy: -133.031 flat angles P-C4'-P energy: -81.952 tors. eta vs tors. theta energy: -173.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1798.085058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.085058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.085058 (E_RNA) where: Base-Base interactions energy: -1219.143 where: short stacking energy: -542.336 Base-Backbone interact. energy: -2.452 local terms energy: -576.490689 where: bonds (distance) C4'-P energy: -116.983 bonds (distance) P-C4' energy: -114.227 flat angles C4'-P-C4' energy: -123.533 flat angles P-C4'-P energy: -84.021 tors. eta vs tors. theta energy: -137.727 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: 9 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1683.835241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.835241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.835241 (E_RNA) where: Base-Base interactions energy: -1132.921 where: short stacking energy: -501.317 Base-Backbone interact. energy: 0.442 local terms energy: -551.356165 where: bonds (distance) C4'-P energy: -102.833 bonds (distance) P-C4' energy: -107.034 flat angles C4'-P-C4' energy: -108.018 flat angles P-C4'-P energy: -90.206 tors. eta vs tors. theta energy: -143.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1530.201501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.201501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.201501 (E_RNA) where: Base-Base interactions energy: -1027.692 where: short stacking energy: -453.547 Base-Backbone interact. energy: 0.111 local terms energy: -502.621313 where: bonds (distance) C4'-P energy: -106.747 bonds (distance) P-C4' energy: -104.422 flat angles C4'-P-C4' energy: -110.227 flat angles P-C4'-P energy: -64.217 tors. eta vs tors. theta energy: -117.008 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: 7, replica: 10 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1455.522410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.522410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.522410 (E_RNA) where: Base-Base interactions energy: -987.509 where: short stacking energy: -433.039 Base-Backbone interact. energy: -2.234 local terms energy: -465.779558 where: bonds (distance) C4'-P energy: -91.776 bonds (distance) P-C4' energy: -102.968 flat angles C4'-P-C4' energy: -125.729 flat angles P-C4'-P energy: -43.333 tors. eta vs tors. theta energy: -101.974 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: 8, replica: 6 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1354.411399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.411399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.411399 (E_RNA) where: Base-Base interactions energy: -889.501 where: short stacking energy: -434.607 Base-Backbone interact. energy: -0.806 local terms energy: -464.104196 where: bonds (distance) C4'-P energy: -85.078 bonds (distance) P-C4' energy: -119.991 flat angles C4'-P-C4' energy: -103.985 flat angles P-C4'-P energy: -56.836 tors. eta vs tors. theta energy: -98.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1068.999984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.999984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.999984 (E_RNA) where: Base-Base interactions energy: -679.622 where: short stacking energy: -313.066 Base-Backbone interact. energy: -2.795 local terms energy: -386.582990 where: bonds (distance) C4'-P energy: -88.261 bonds (distance) P-C4' energy: -98.089 flat angles C4'-P-C4' energy: -106.322 flat angles P-C4'-P energy: -52.151 tors. eta vs tors. theta energy: -41.759 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: 4 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -566.619871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.619871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.619871 (E_RNA) where: Base-Base interactions energy: -229.447 where: short stacking energy: -181.175 Base-Backbone interact. energy: 2.397 local terms energy: -339.569417 where: bonds (distance) C4'-P energy: -99.959 bonds (distance) P-C4' energy: -107.576 flat angles C4'-P-C4' energy: -96.196 flat angles P-C4'-P energy: -41.039 tors. eta vs tors. theta energy: 5.200 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: 1, replica: 2 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2167.511179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.511179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.511179 (E_RNA) where: Base-Base interactions energy: -1521.139 where: short stacking energy: -640.728 Base-Backbone interact. energy: -1.712 local terms energy: -644.659788 where: bonds (distance) C4'-P energy: -124.032 bonds (distance) P-C4' energy: -130.078 flat angles C4'-P-C4' energy: -133.617 flat angles P-C4'-P energy: -84.147 tors. eta vs tors. theta energy: -172.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2055.218856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.218856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.218856 (E_RNA) where: Base-Base interactions energy: -1441.785 where: short stacking energy: -609.092 Base-Backbone interact. energy: -4.657 local terms energy: -608.776956 where: bonds (distance) C4'-P energy: -106.757 bonds (distance) P-C4' energy: -119.043 flat angles C4'-P-C4' energy: -133.332 flat angles P-C4'-P energy: -84.779 tors. eta vs tors. theta energy: -164.867 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: 3 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1950.107917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.107917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.107917 (E_RNA) where: Base-Base interactions energy: -1343.627 where: short stacking energy: -579.459 Base-Backbone interact. energy: -4.009 local terms energy: -602.472629 where: bonds (distance) C4'-P energy: -112.083 bonds (distance) P-C4' energy: -120.475 flat angles C4'-P-C4' energy: -131.555 flat angles P-C4'-P energy: -82.791 tors. eta vs tors. theta energy: -155.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1823.838665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.838665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.838665 (E_RNA) where: Base-Base interactions energy: -1240.853 where: short stacking energy: -567.398 Base-Backbone interact. energy: -4.820 local terms energy: -578.165615 where: bonds (distance) C4'-P energy: -110.472 bonds (distance) P-C4' energy: -123.058 flat angles C4'-P-C4' energy: -123.813 flat angles P-C4'-P energy: -80.143 tors. eta vs tors. theta energy: -140.679 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: 5, replica: 9 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1686.559128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.559128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.559128 (E_RNA) where: Base-Base interactions energy: -1145.383 where: short stacking energy: -497.034 Base-Backbone interact. energy: -1.808 local terms energy: -539.368348 where: bonds (distance) C4'-P energy: -102.057 bonds (distance) P-C4' energy: -102.626 flat angles C4'-P-C4' energy: -121.326 flat angles P-C4'-P energy: -87.664 tors. eta vs tors. theta energy: -125.695 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: 6, replica: 10 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1587.607758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.607758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.607758 (E_RNA) where: Base-Base interactions energy: -1074.956 where: short stacking energy: -490.489 Base-Backbone interact. energy: -1.089 local terms energy: -511.562260 where: bonds (distance) C4'-P energy: -82.793 bonds (distance) P-C4' energy: -108.812 flat angles C4'-P-C4' energy: -125.370 flat angles P-C4'-P energy: -63.723 tors. eta vs tors. theta energy: -130.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1520.652236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.652236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.652236 (E_RNA) where: Base-Base interactions energy: -1040.819 where: short stacking energy: -468.572 Base-Backbone interact. energy: 4.726 local terms energy: -484.559039 where: bonds (distance) C4'-P energy: -93.275 bonds (distance) P-C4' energy: -96.708 flat angles C4'-P-C4' energy: -105.671 flat angles P-C4'-P energy: -69.543 tors. eta vs tors. theta energy: -119.362 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: 8, replica: 6 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1283.323388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.323388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.323388 (E_RNA) where: Base-Base interactions energy: -830.774 where: short stacking energy: -370.751 Base-Backbone interact. energy: 1.197 local terms energy: -453.745697 where: bonds (distance) C4'-P energy: -101.486 bonds (distance) P-C4' energy: -96.402 flat angles C4'-P-C4' energy: -98.431 flat angles P-C4'-P energy: -80.269 tors. eta vs tors. theta energy: -77.157 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: 1 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1120.981227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.981227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.981227 (E_RNA) where: Base-Base interactions energy: -685.644 where: short stacking energy: -305.646 Base-Backbone interact. energy: -2.460 local terms energy: -432.876794 where: bonds (distance) C4'-P energy: -105.075 bonds (distance) P-C4' energy: -111.864 flat angles C4'-P-C4' energy: -95.959 flat angles P-C4'-P energy: -67.172 tors. eta vs tors. theta energy: -52.806 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: 4 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -558.770264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.770264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.770264 (E_RNA) where: Base-Base interactions energy: -262.963 where: short stacking energy: -156.089 Base-Backbone interact. energy: 4.583 local terms energy: -300.390464 where: bonds (distance) C4'-P energy: -98.518 bonds (distance) P-C4' energy: -91.141 flat angles C4'-P-C4' energy: -75.072 flat angles P-C4'-P energy: -43.396 tors. eta vs tors. theta energy: 7.736 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: 5 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2091.764782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.764782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.764782 (E_RNA) where: Base-Base interactions energy: -1475.354 where: short stacking energy: -604.058 Base-Backbone interact. energy: -4.773 local terms energy: -611.637703 where: bonds (distance) C4'-P energy: -100.925 bonds (distance) P-C4' energy: -114.600 flat angles C4'-P-C4' energy: -139.683 flat angles P-C4'-P energy: -89.000 tors. eta vs tors. theta energy: -167.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2076.148626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.148626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.148626 (E_RNA) where: Base-Base interactions energy: -1437.097 where: short stacking energy: -639.054 Base-Backbone interact. energy: 1.427 local terms energy: -640.478876 where: bonds (distance) C4'-P energy: -109.368 bonds (distance) P-C4' energy: -117.232 flat angles C4'-P-C4' energy: -137.610 flat angles P-C4'-P energy: -89.144 tors. eta vs tors. theta energy: -187.125 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: 3 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1963.528211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.528211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.528211 (E_RNA) where: Base-Base interactions energy: -1347.866 where: short stacking energy: -579.946 Base-Backbone interact. energy: -1.101 local terms energy: -614.561017 where: bonds (distance) C4'-P energy: -110.573 bonds (distance) P-C4' energy: -111.990 flat angles C4'-P-C4' energy: -134.525 flat angles P-C4'-P energy: -90.285 tors. eta vs tors. theta energy: -167.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1845.451562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.451562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.451562 (E_RNA) where: Base-Base interactions energy: -1247.348 where: short stacking energy: -553.922 Base-Backbone interact. energy: -0.673 local terms energy: -597.430233 where: bonds (distance) C4'-P energy: -114.621 bonds (distance) P-C4' energy: -116.855 flat angles C4'-P-C4' energy: -128.609 flat angles P-C4'-P energy: -85.295 tors. eta vs tors. theta energy: -152.051 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: 9 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1673.966258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.966258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.966258 (E_RNA) where: Base-Base interactions energy: -1130.740 where: short stacking energy: -501.601 Base-Backbone interact. energy: -0.072 local terms energy: -543.154436 where: bonds (distance) C4'-P energy: -114.798 bonds (distance) P-C4' energy: -111.402 flat angles C4'-P-C4' energy: -119.972 flat angles P-C4'-P energy: -66.423 tors. eta vs tors. theta energy: -130.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1548.211141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.211141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.211141 (E_RNA) where: Base-Base interactions energy: -1023.200 where: short stacking energy: -487.047 Base-Backbone interact. energy: 0.508 local terms energy: -525.518189 where: bonds (distance) C4'-P energy: -94.084 bonds (distance) P-C4' energy: -124.731 flat angles C4'-P-C4' energy: -107.058 flat angles P-C4'-P energy: -68.686 tors. eta vs tors. theta energy: -130.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1496.184302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.184302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.184302 (E_RNA) where: Base-Base interactions energy: -1003.649 where: short stacking energy: -432.500 Base-Backbone interact. energy: -4.051 local terms energy: -488.484441 where: bonds (distance) C4'-P energy: -101.582 bonds (distance) P-C4' energy: -104.999 flat angles C4'-P-C4' energy: -116.694 flat angles P-C4'-P energy: -67.727 tors. eta vs tors. theta energy: -97.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1286.786542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.786542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.786542 (E_RNA) where: Base-Base interactions energy: -826.064 where: short stacking energy: -383.695 Base-Backbone interact. energy: -1.979 local terms energy: -458.743761 where: bonds (distance) C4'-P energy: -95.559 bonds (distance) P-C4' energy: -92.048 flat angles C4'-P-C4' energy: -112.743 flat angles P-C4'-P energy: -81.851 tors. eta vs tors. theta energy: -76.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1069.286580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.286580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.286580 (E_RNA) where: Base-Base interactions energy: -671.552 where: short stacking energy: -311.829 Base-Backbone interact. energy: 7.609 local terms energy: -405.343799 where: bonds (distance) C4'-P energy: -84.860 bonds (distance) P-C4' energy: -101.643 flat angles C4'-P-C4' energy: -100.398 flat angles P-C4'-P energy: -61.620 tors. eta vs tors. theta energy: -56.822 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: 4 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -562.508809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.508809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.508809 (E_RNA) where: Base-Base interactions energy: -260.320 where: short stacking energy: -189.345 Base-Backbone interact. energy: 2.769 local terms energy: -304.957581 where: bonds (distance) C4'-P energy: -77.158 bonds (distance) P-C4' energy: -100.650 flat angles C4'-P-C4' energy: -70.229 flat angles P-C4'-P energy: -57.799 tors. eta vs tors. theta energy: 0.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2098.805457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.805457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.805457 (E_RNA) where: Base-Base interactions energy: -1457.988 where: short stacking energy: -601.135 Base-Backbone interact. energy: -3.814 local terms energy: -637.003655 where: bonds (distance) C4'-P energy: -132.084 bonds (distance) P-C4' energy: -122.926 flat angles C4'-P-C4' energy: -136.939 flat angles P-C4'-P energy: -81.994 tors. eta vs tors. theta energy: -163.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2098.448602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.448602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.448602 (E_RNA) where: Base-Base interactions energy: -1472.373 where: short stacking energy: -635.934 Base-Backbone interact. energy: -2.156 local terms energy: -623.919312 where: bonds (distance) C4'-P energy: -122.234 bonds (distance) P-C4' energy: -115.277 flat angles C4'-P-C4' energy: -123.451 flat angles P-C4'-P energy: -78.674 tors. eta vs tors. theta energy: -184.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1999.544130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.544130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.544130 (E_RNA) where: Base-Base interactions energy: -1386.006 where: short stacking energy: -596.556 Base-Backbone interact. energy: -2.229 local terms energy: -611.308640 where: bonds (distance) C4'-P energy: -107.650 bonds (distance) P-C4' energy: -120.283 flat angles C4'-P-C4' energy: -134.472 flat angles P-C4'-P energy: -87.596 tors. eta vs tors. theta energy: -161.308 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: 7 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1840.442696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.442696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.442696 (E_RNA) where: Base-Base interactions energy: -1260.096 where: short stacking energy: -566.773 Base-Backbone interact. energy: -4.874 local terms energy: -575.472329 where: bonds (distance) C4'-P energy: -110.294 bonds (distance) P-C4' energy: -124.581 flat angles C4'-P-C4' energy: -121.154 flat angles P-C4'-P energy: -71.877 tors. eta vs tors. theta energy: -147.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1696.715251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.715251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.715251 (E_RNA) where: Base-Base interactions energy: -1169.465 where: short stacking energy: -564.153 Base-Backbone interact. energy: 3.615 local terms energy: -530.865469 where: bonds (distance) C4'-P energy: -85.822 bonds (distance) P-C4' energy: -109.757 flat angles C4'-P-C4' energy: -122.648 flat angles P-C4'-P energy: -69.059 tors. eta vs tors. theta energy: -143.580 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: 10 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1493.024633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.024633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.024633 (E_RNA) where: Base-Base interactions energy: -1003.634 where: short stacking energy: -418.267 Base-Backbone interact. energy: 1.883 local terms energy: -491.273916 where: bonds (distance) C4'-P energy: -106.970 bonds (distance) P-C4' energy: -107.221 flat angles C4'-P-C4' energy: -103.067 flat angles P-C4'-P energy: -78.847 tors. eta vs tors. theta energy: -95.169 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: 7, replica: 8 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1532.578289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.578289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.578289 (E_RNA) where: Base-Base interactions energy: -1026.606 where: short stacking energy: -456.842 Base-Backbone interact. energy: -0.985 local terms energy: -504.987576 where: bonds (distance) C4'-P energy: -93.080 bonds (distance) P-C4' energy: -103.891 flat angles C4'-P-C4' energy: -112.415 flat angles P-C4'-P energy: -71.610 tors. eta vs tors. theta energy: -123.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1399.062841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.062841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.062841 (E_RNA) where: Base-Base interactions energy: -900.445 where: short stacking energy: -414.222 Base-Backbone interact. energy: -0.158 local terms energy: -498.459622 where: bonds (distance) C4'-P energy: -100.292 bonds (distance) P-C4' energy: -118.010 flat angles C4'-P-C4' energy: -116.964 flat angles P-C4'-P energy: -58.700 tors. eta vs tors. theta energy: -104.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1109.968460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.968460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.968460 (E_RNA) where: Base-Base interactions energy: -673.726 where: short stacking energy: -347.390 Base-Backbone interact. energy: -1.848 local terms energy: -434.395232 where: bonds (distance) C4'-P energy: -105.443 bonds (distance) P-C4' energy: -99.111 flat angles C4'-P-C4' energy: -97.726 flat angles P-C4'-P energy: -62.061 tors. eta vs tors. theta energy: -70.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -561.392276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.392276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.392276 (E_RNA) where: Base-Base interactions energy: -218.369 where: short stacking energy: -153.110 Base-Backbone interact. energy: 1.375 local terms energy: -344.399089 where: bonds (distance) C4'-P energy: -92.621 bonds (distance) P-C4' energy: -97.983 flat angles C4'-P-C4' energy: -92.484 flat angles P-C4'-P energy: -65.940 tors. eta vs tors. theta energy: 4.628 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: 1, replica: 5 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2134.846224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.846224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.846224 (E_RNA) where: Base-Base interactions energy: -1508.053 where: short stacking energy: -619.586 Base-Backbone interact. energy: -2.359 local terms energy: -624.434489 where: bonds (distance) C4'-P energy: -116.693 bonds (distance) P-C4' energy: -110.020 flat angles C4'-P-C4' energy: -132.763 flat angles P-C4'-P energy: -103.382 tors. eta vs tors. theta energy: -161.576 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: 2, replica: 2 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2060.540668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.540668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.540668 (E_RNA) where: Base-Base interactions energy: -1426.043 where: short stacking energy: -620.378 Base-Backbone interact. energy: -0.811 local terms energy: -633.686996 where: bonds (distance) C4'-P energy: -116.990 bonds (distance) P-C4' energy: -127.586 flat angles C4'-P-C4' energy: -141.683 flat angles P-C4'-P energy: -70.846 tors. eta vs tors. theta energy: -176.581 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: 3, replica: 3 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1972.697700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.697700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.697700 (E_RNA) where: Base-Base interactions energy: -1350.206 where: short stacking energy: -578.482 Base-Backbone interact. energy: -3.986 local terms energy: -618.506579 where: bonds (distance) C4'-P energy: -119.390 bonds (distance) P-C4' energy: -111.547 flat angles C4'-P-C4' energy: -136.414 flat angles P-C4'-P energy: -88.936 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: 4, replica: 7 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1801.680452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.680452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.680452 (E_RNA) where: Base-Base interactions energy: -1224.408 where: short stacking energy: -535.928 Base-Backbone interact. energy: -2.645 local terms energy: -574.627041 where: bonds (distance) C4'-P energy: -114.402 bonds (distance) P-C4' energy: -105.410 flat angles C4'-P-C4' energy: -130.511 flat angles P-C4'-P energy: -76.962 tors. eta vs tors. theta energy: -147.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1658.084892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.084892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.084892 (E_RNA) where: Base-Base interactions energy: -1097.485 where: short stacking energy: -491.761 Base-Backbone interact. energy: -1.212 local terms energy: -559.387952 where: bonds (distance) C4'-P energy: -107.988 bonds (distance) P-C4' energy: -119.774 flat angles C4'-P-C4' energy: -121.691 flat angles P-C4'-P energy: -89.589 tors. eta vs tors. theta energy: -120.346 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: 6, replica: 10 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1491.362859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.362859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.362859 (E_RNA) where: Base-Base interactions energy: -969.609 where: short stacking energy: -427.254 Base-Backbone interact. energy: -2.228 local terms energy: -519.526624 where: bonds (distance) C4'-P energy: -99.750 bonds (distance) P-C4' energy: -102.518 flat angles C4'-P-C4' energy: -127.917 flat angles P-C4'-P energy: -88.981 tors. eta vs tors. theta energy: -100.361 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: 8 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1496.994285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.994285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.994285 (E_RNA) where: Base-Base interactions energy: -1006.674 where: short stacking energy: -436.532 Base-Backbone interact. energy: -1.360 local terms energy: -488.960055 where: bonds (distance) C4'-P energy: -98.707 bonds (distance) P-C4' energy: -96.470 flat angles C4'-P-C4' energy: -124.454 flat angles P-C4'-P energy: -71.436 tors. eta vs tors. theta energy: -97.893 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: 6 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1460.966269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.966269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.966269 (E_RNA) where: Base-Base interactions energy: -963.985 where: short stacking energy: -439.568 Base-Backbone interact. energy: -2.947 local terms energy: -494.034561 where: bonds (distance) C4'-P energy: -95.938 bonds (distance) P-C4' energy: -92.233 flat angles C4'-P-C4' energy: -125.827 flat angles P-C4'-P energy: -68.092 tors. eta vs tors. theta energy: -111.944 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: 9, replica: 1 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -966.010853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.010853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.010853 (E_RNA) where: Base-Base interactions energy: -574.576 where: short stacking energy: -293.238 Base-Backbone interact. energy: 1.208 local terms energy: -392.642351 where: bonds (distance) C4'-P energy: -102.318 bonds (distance) P-C4' energy: -85.460 flat angles C4'-P-C4' energy: -106.127 flat angles P-C4'-P energy: -49.680 tors. eta vs tors. theta energy: -49.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -563.324902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.324902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.324902 (E_RNA) where: Base-Base interactions energy: -282.194 where: short stacking energy: -172.848 Base-Backbone interact. energy: 3.096 local terms energy: -284.227239 where: bonds (distance) C4'-P energy: -75.385 bonds (distance) P-C4' energy: -101.138 flat angles C4'-P-C4' energy: -75.902 flat angles P-C4'-P energy: -51.565 tors. eta vs tors. theta energy: 19.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2152.444488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.444488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.444488 (E_RNA) where: Base-Base interactions energy: -1501.037 where: short stacking energy: -631.118 Base-Backbone interact. energy: -2.594 local terms energy: -648.813753 where: bonds (distance) C4'-P energy: -115.153 bonds (distance) P-C4' energy: -125.669 flat angles C4'-P-C4' energy: -147.381 flat angles P-C4'-P energy: -92.919 tors. eta vs tors. theta energy: -167.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2082.418308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.418308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.418308 (E_RNA) where: Base-Base interactions energy: -1426.458 where: short stacking energy: -621.849 Base-Backbone interact. energy: -2.599 local terms energy: -653.361342 where: bonds (distance) C4'-P energy: -123.832 bonds (distance) P-C4' energy: -115.821 flat angles C4'-P-C4' energy: -132.067 flat angles P-C4'-P energy: -100.804 tors. eta vs tors. theta energy: -180.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1944.726814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.726814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.726814 (E_RNA) where: Base-Base interactions energy: -1338.677 where: short stacking energy: -561.229 Base-Backbone interact. energy: -4.597 local terms energy: -601.452596 where: bonds (distance) C4'-P energy: -124.400 bonds (distance) P-C4' energy: -118.235 flat angles C4'-P-C4' energy: -120.403 flat angles P-C4'-P energy: -85.187 tors. eta vs tors. theta energy: -153.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1825.020575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.020575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.020575 (E_RNA) where: Base-Base interactions energy: -1256.328 where: short stacking energy: -558.590 Base-Backbone interact. energy: -4.626 local terms energy: -564.066825 where: bonds (distance) C4'-P energy: -110.108 bonds (distance) P-C4' energy: -108.437 flat angles C4'-P-C4' energy: -117.663 flat angles P-C4'-P energy: -84.833 tors. eta vs tors. theta energy: -143.026 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: 5, replica: 9 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1640.413843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.413843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.413843 (E_RNA) where: Base-Base interactions energy: -1080.129 where: short stacking energy: -504.971 Base-Backbone interact. energy: -0.587 local terms energy: -559.698251 where: bonds (distance) C4'-P energy: -111.947 bonds (distance) P-C4' energy: -126.920 flat angles C4'-P-C4' energy: -117.535 flat angles P-C4'-P energy: -77.816 tors. eta vs tors. theta energy: -125.481 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: 8 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1574.217089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.217089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.217089 (E_RNA) where: Base-Base interactions energy: -1041.696 where: short stacking energy: -446.079 Base-Backbone interact. energy: -1.597 local terms energy: -530.923722 where: bonds (distance) C4'-P energy: -110.303 bonds (distance) P-C4' energy: -122.703 flat angles C4'-P-C4' energy: -120.435 flat angles P-C4'-P energy: -69.126 tors. eta vs tors. theta energy: -108.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1424.491533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.491533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.491533 (E_RNA) where: Base-Base interactions energy: -942.663 where: short stacking energy: -416.646 Base-Backbone interact. energy: -1.230 local terms energy: -480.598548 where: bonds (distance) C4'-P energy: -104.740 bonds (distance) P-C4' energy: -104.079 flat angles C4'-P-C4' energy: -117.983 flat angles P-C4'-P energy: -57.275 tors. eta vs tors. theta energy: -96.521 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: 8, replica: 6 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1436.174843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.174843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.174843 (E_RNA) where: Base-Base interactions energy: -965.110 where: short stacking energy: -448.357 Base-Backbone interact. energy: 3.422 local terms energy: -474.487270 where: bonds (distance) C4'-P energy: -87.450 bonds (distance) P-C4' energy: -91.058 flat angles C4'-P-C4' energy: -114.858 flat angles P-C4'-P energy: -65.578 tors. eta vs tors. theta energy: -115.542 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: 9, replica: 1 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -870.569799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.569799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.569799 (E_RNA) where: Base-Base interactions energy: -488.217 where: short stacking energy: -251.277 Base-Backbone interact. energy: -2.995 local terms energy: -379.357529 where: bonds (distance) C4'-P energy: -101.175 bonds (distance) P-C4' energy: -109.142 flat angles C4'-P-C4' energy: -93.864 flat angles P-C4'-P energy: -54.985 tors. eta vs tors. theta energy: -20.191 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: 4 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -552.157922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.157922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.157922 (E_RNA) where: Base-Base interactions energy: -234.277 where: short stacking energy: -166.641 Base-Backbone interact. energy: 2.563 local terms energy: -320.444111 where: bonds (distance) C4'-P energy: -79.449 bonds (distance) P-C4' energy: -100.224 flat angles C4'-P-C4' energy: -91.731 flat angles P-C4'-P energy: -51.582 tors. eta vs tors. theta energy: 2.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2128.135593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.135593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.135593 (E_RNA) where: Base-Base interactions energy: -1483.017 where: short stacking energy: -621.278 Base-Backbone interact. energy: -3.110 local terms energy: -642.008390 where: bonds (distance) C4'-P energy: -119.251 bonds (distance) P-C4' energy: -122.258 flat angles C4'-P-C4' energy: -139.984 flat angles P-C4'-P energy: -92.188 tors. eta vs tors. theta energy: -168.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2104.597210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.597210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.597210 (E_RNA) where: Base-Base interactions energy: -1470.263 where: short stacking energy: -637.713 Base-Backbone interact. energy: 0.185 local terms energy: -634.518791 where: bonds (distance) C4'-P energy: -113.125 bonds (distance) P-C4' energy: -119.867 flat angles C4'-P-C4' energy: -141.429 flat angles P-C4'-P energy: -80.761 tors. eta vs tors. theta energy: -179.336 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: 3 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1958.670646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.670646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.670646 (E_RNA) where: Base-Base interactions energy: -1367.338 where: short stacking energy: -572.604 Base-Backbone interact. energy: -1.754 local terms energy: -589.579085 where: bonds (distance) C4'-P energy: -109.323 bonds (distance) P-C4' energy: -122.022 flat angles C4'-P-C4' energy: -135.833 flat angles P-C4'-P energy: -74.127 tors. eta vs tors. theta energy: -148.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1820.694180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.694180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.694180 (E_RNA) where: Base-Base interactions energy: -1261.334 where: short stacking energy: -533.489 Base-Backbone interact. energy: 0.855 local terms energy: -560.215216 where: bonds (distance) C4'-P energy: -120.657 bonds (distance) P-C4' energy: -111.693 flat angles C4'-P-C4' energy: -106.719 flat angles P-C4'-P energy: -77.648 tors. eta vs tors. theta energy: -143.498 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: 9 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1685.810634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.810634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.810634 (E_RNA) where: Base-Base interactions energy: -1140.321 where: short stacking energy: -525.689 Base-Backbone interact. energy: -1.684 local terms energy: -543.805566 where: bonds (distance) C4'-P energy: -104.694 bonds (distance) P-C4' energy: -98.746 flat angles C4'-P-C4' energy: -125.492 flat angles P-C4'-P energy: -82.803 tors. eta vs tors. theta energy: -132.071 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: 8 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1637.624338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.624338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.624338 (E_RNA) where: Base-Base interactions energy: -1124.031 where: short stacking energy: -469.854 Base-Backbone interact. energy: 0.257 local terms energy: -513.849923 where: bonds (distance) C4'-P energy: -94.705 bonds (distance) P-C4' energy: -102.311 flat angles C4'-P-C4' energy: -124.390 flat angles P-C4'-P energy: -70.471 tors. eta vs tors. theta energy: -121.974 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: 10 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1375.176366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.176366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.176366 (E_RNA) where: Base-Base interactions energy: -886.972 where: short stacking energy: -415.469 Base-Backbone interact. energy: 0.641 local terms energy: -488.845243 where: bonds (distance) C4'-P energy: -100.196 bonds (distance) P-C4' energy: -111.375 flat angles C4'-P-C4' energy: -114.767 flat angles P-C4'-P energy: -63.619 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: 8, replica: 6 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1434.388023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.388023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.388023 (E_RNA) where: Base-Base interactions energy: -941.280 where: short stacking energy: -410.288 Base-Backbone interact. energy: 0.839 local terms energy: -493.947314 where: bonds (distance) C4'-P energy: -77.530 bonds (distance) P-C4' energy: -113.292 flat angles C4'-P-C4' energy: -109.511 flat angles P-C4'-P energy: -91.410 tors. eta vs tors. theta energy: -102.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -905.889986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.889986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.889986 (E_RNA) where: Base-Base interactions energy: -527.000 where: short stacking energy: -263.187 Base-Backbone interact. energy: -4.173 local terms energy: -374.716746 where: bonds (distance) C4'-P energy: -84.004 bonds (distance) P-C4' energy: -111.768 flat angles C4'-P-C4' energy: -85.559 flat angles P-C4'-P energy: -73.140 tors. eta vs tors. theta energy: -20.245 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: 10, replica: 4 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -541.851666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.851666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.851666 (E_RNA) where: Base-Base interactions energy: -227.173 where: short stacking energy: -142.948 Base-Backbone interact. energy: 5.935 local terms energy: -320.613338 where: bonds (distance) C4'-P energy: -81.173 bonds (distance) P-C4' energy: -125.461 flat angles C4'-P-C4' energy: -98.293 flat angles P-C4'-P energy: -34.202 tors. eta vs tors. theta energy: 18.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2158.911232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.911232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.911232 (E_RNA) where: Base-Base interactions energy: -1494.599 where: short stacking energy: -642.471 Base-Backbone interact. energy: -1.071 local terms energy: -663.241014 where: bonds (distance) C4'-P energy: -134.281 bonds (distance) P-C4' energy: -116.443 flat angles C4'-P-C4' energy: -134.319 flat angles P-C4'-P energy: -92.912 tors. eta vs tors. theta energy: -185.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2091.334540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.334540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.334540 (E_RNA) where: Base-Base interactions energy: -1476.616 where: short stacking energy: -632.824 Base-Backbone interact. energy: -1.853 local terms energy: -612.865548 where: bonds (distance) C4'-P energy: -99.404 bonds (distance) P-C4' energy: -127.116 flat angles C4'-P-C4' energy: -126.543 flat angles P-C4'-P energy: -90.127 tors. eta vs tors. theta energy: -169.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1970.637199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.637199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.637199 (E_RNA) where: Base-Base interactions energy: -1344.907 where: short stacking energy: -591.443 Base-Backbone interact. energy: -1.403 local terms energy: -624.326394 where: bonds (distance) C4'-P energy: -113.717 bonds (distance) P-C4' energy: -125.740 flat angles C4'-P-C4' energy: -136.797 flat angles P-C4'-P energy: -82.300 tors. eta vs tors. theta energy: -165.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1846.959413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.959413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.959413 (E_RNA) where: Base-Base interactions energy: -1254.686 where: short stacking energy: -575.597 Base-Backbone interact. energy: -0.214 local terms energy: -592.059331 where: bonds (distance) C4'-P energy: -104.037 bonds (distance) P-C4' energy: -113.561 flat angles C4'-P-C4' energy: -129.441 flat angles P-C4'-P energy: -87.101 tors. eta vs tors. theta energy: -157.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1646.499803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.499803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.499803 (E_RNA) where: Base-Base interactions energy: -1100.884 where: short stacking energy: -521.471 Base-Backbone interact. energy: 0.570 local terms energy: -546.185241 where: bonds (distance) C4'-P energy: -108.880 bonds (distance) P-C4' energy: -117.100 flat angles C4'-P-C4' energy: -102.299 flat angles P-C4'-P energy: -70.472 tors. eta vs tors. theta energy: -147.434 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: 6, replica: 8 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1625.670307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.670307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.670307 (E_RNA) where: Base-Base interactions energy: -1102.043 where: short stacking energy: -471.933 Base-Backbone interact. energy: -3.665 local terms energy: -519.962512 where: bonds (distance) C4'-P energy: -100.024 bonds (distance) P-C4' energy: -118.027 flat angles C4'-P-C4' energy: -111.251 flat angles P-C4'-P energy: -68.689 tors. eta vs tors. theta energy: -121.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1397.197715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.197715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.197715 (E_RNA) where: Base-Base interactions energy: -900.541 where: short stacking energy: -419.182 Base-Backbone interact. energy: 1.258 local terms energy: -497.915308 where: bonds (distance) C4'-P energy: -100.235 bonds (distance) P-C4' energy: -104.111 flat angles C4'-P-C4' energy: -111.103 flat angles P-C4'-P energy: -83.120 tors. eta vs tors. theta energy: -99.346 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: 6 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1452.854582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.854582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.854582 (E_RNA) where: Base-Base interactions energy: -963.876 where: short stacking energy: -430.637 Base-Backbone interact. energy: 4.902 local terms energy: -493.880477 where: bonds (distance) C4'-P energy: -90.982 bonds (distance) P-C4' energy: -119.218 flat angles C4'-P-C4' energy: -108.726 flat angles P-C4'-P energy: -63.662 tors. eta vs tors. theta energy: -111.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -944.689213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.689213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.689213 (E_RNA) where: Base-Base interactions energy: -551.974 where: short stacking energy: -288.321 Base-Backbone interact. energy: -2.036 local terms energy: -390.679244 where: bonds (distance) C4'-P energy: -86.643 bonds (distance) P-C4' energy: -105.738 flat angles C4'-P-C4' energy: -94.235 flat angles P-C4'-P energy: -58.940 tors. eta vs tors. theta energy: -45.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -589.064139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.064139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.064139 (E_RNA) where: Base-Base interactions energy: -292.842 where: short stacking energy: -161.978 Base-Backbone interact. energy: -1.373 local terms energy: -294.849046 where: bonds (distance) C4'-P energy: -88.525 bonds (distance) P-C4' energy: -96.528 flat angles C4'-P-C4' energy: -84.153 flat angles P-C4'-P energy: -39.006 tors. eta vs tors. theta energy: 13.364 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: 5 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2123.605520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.605520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.605520 (E_RNA) where: Base-Base interactions energy: -1475.980 where: short stacking energy: -628.069 Base-Backbone interact. energy: -3.867 local terms energy: -643.758378 where: bonds (distance) C4'-P energy: -120.088 bonds (distance) P-C4' energy: -127.200 flat angles C4'-P-C4' energy: -127.817 flat angles P-C4'-P energy: -95.524 tors. eta vs tors. theta energy: -173.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2096.008579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.008579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.008579 (E_RNA) where: Base-Base interactions energy: -1479.071 where: short stacking energy: -639.449 Base-Backbone interact. energy: -1.489 local terms energy: -615.448767 where: bonds (distance) C4'-P energy: -118.627 bonds (distance) P-C4' energy: -104.125 flat angles C4'-P-C4' energy: -125.754 flat angles P-C4'-P energy: -78.917 tors. eta vs tors. theta energy: -188.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1956.586367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.586367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.586367 (E_RNA) where: Base-Base interactions energy: -1324.229 where: short stacking energy: -623.164 Base-Backbone interact. energy: -4.302 local terms energy: -628.055203 where: bonds (distance) C4'-P energy: -111.269 bonds (distance) P-C4' energy: -106.397 flat angles C4'-P-C4' energy: -133.110 flat angles P-C4'-P energy: -101.451 tors. eta vs tors. theta energy: -175.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1819.559560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.559560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.559560 (E_RNA) where: Base-Base interactions energy: -1251.497 where: short stacking energy: -571.215 Base-Backbone interact. energy: -0.854 local terms energy: -567.208561 where: bonds (distance) C4'-P energy: -117.728 bonds (distance) P-C4' energy: -109.807 flat angles C4'-P-C4' energy: -122.191 flat angles P-C4'-P energy: -74.317 tors. eta vs tors. theta energy: -143.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1662.572473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.572473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.572473 (E_RNA) where: Base-Base interactions energy: -1112.623 where: short stacking energy: -518.518 Base-Backbone interact. energy: 0.205 local terms energy: -550.154103 where: bonds (distance) C4'-P energy: -120.477 bonds (distance) P-C4' energy: -104.273 flat angles C4'-P-C4' energy: -117.663 flat angles P-C4'-P energy: -75.597 tors. eta vs tors. theta energy: -132.144 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: 8 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1652.745720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.745720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.745720 (E_RNA) where: Base-Base interactions energy: -1124.665 where: short stacking energy: -475.289 Base-Backbone interact. energy: -0.338 local terms energy: -527.742871 where: bonds (distance) C4'-P energy: -105.675 bonds (distance) P-C4' energy: -117.180 flat angles C4'-P-C4' energy: -110.133 flat angles P-C4'-P energy: -68.982 tors. eta vs tors. theta energy: -125.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1503.070640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.070640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.070640 (E_RNA) where: Base-Base interactions energy: -1020.260 where: short stacking energy: -427.997 Base-Backbone interact. energy: -1.579 local terms energy: -481.231912 where: bonds (distance) C4'-P energy: -94.414 bonds (distance) P-C4' energy: -96.549 flat angles C4'-P-C4' energy: -112.674 flat angles P-C4'-P energy: -72.913 tors. eta vs tors. theta energy: -104.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1411.459375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.459375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.459375 (E_RNA) where: Base-Base interactions energy: -946.014 where: short stacking energy: -418.551 Base-Backbone interact. energy: 0.708 local terms energy: -466.152735 where: bonds (distance) C4'-P energy: -90.858 bonds (distance) P-C4' energy: -96.845 flat angles C4'-P-C4' energy: -104.167 flat angles P-C4'-P energy: -79.672 tors. eta vs tors. theta energy: -94.610 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: 1 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -916.535515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.535515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.535515 (E_RNA) where: Base-Base interactions energy: -573.687 where: short stacking energy: -263.961 Base-Backbone interact. energy: 0.528 local terms energy: -343.375866 where: bonds (distance) C4'-P energy: -67.962 bonds (distance) P-C4' energy: -103.084 flat angles C4'-P-C4' energy: -104.124 flat angles P-C4'-P energy: -52.888 tors. eta vs tors. theta energy: -15.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -649.730318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.730318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.730318 (E_RNA) where: Base-Base interactions energy: -291.279 where: short stacking energy: -158.801 Base-Backbone interact. energy: 0.156 local terms energy: -358.606946 where: bonds (distance) C4'-P energy: -81.917 bonds (distance) P-C4' energy: -120.119 flat angles C4'-P-C4' energy: -107.181 flat angles P-C4'-P energy: -47.512 tors. eta vs tors. theta energy: -1.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2110.188076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.188076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.188076 (E_RNA) where: Base-Base interactions energy: -1471.179 where: short stacking energy: -619.168 Base-Backbone interact. energy: -2.340 local terms energy: -636.669397 where: bonds (distance) C4'-P energy: -108.996 bonds (distance) P-C4' energy: -130.348 flat angles C4'-P-C4' energy: -133.701 flat angles P-C4'-P energy: -100.226 tors. eta vs tors. theta energy: -163.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2106.778920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.778920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.778920 (E_RNA) where: Base-Base interactions energy: -1484.740 where: short stacking energy: -635.609 Base-Backbone interact. energy: -1.619 local terms energy: -620.419659 where: bonds (distance) C4'-P energy: -102.433 bonds (distance) P-C4' energy: -107.327 flat angles C4'-P-C4' energy: -144.711 flat angles P-C4'-P energy: -84.378 tors. eta vs tors. theta energy: -181.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1941.526884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.526884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.526884 (E_RNA) where: Base-Base interactions energy: -1341.584 where: short stacking energy: -583.835 Base-Backbone interact. energy: -0.411 local terms energy: -599.531557 where: bonds (distance) C4'-P energy: -114.454 bonds (distance) P-C4' energy: -124.080 flat angles C4'-P-C4' energy: -132.729 flat angles P-C4'-P energy: -73.904 tors. eta vs tors. theta energy: -154.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1859.425663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.425663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.425663 (E_RNA) where: Base-Base interactions energy: -1307.136 where: short stacking energy: -566.597 Base-Backbone interact. energy: -4.784 local terms energy: -547.505610 where: bonds (distance) C4'-P energy: -90.353 bonds (distance) P-C4' energy: -106.033 flat angles C4'-P-C4' energy: -131.070 flat angles P-C4'-P energy: -76.970 tors. eta vs tors. theta energy: -143.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1647.045811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.045811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.045811 (E_RNA) where: Base-Base interactions energy: -1102.749 where: short stacking energy: -513.839 Base-Backbone interact. energy: 1.018 local terms energy: -545.314309 where: bonds (distance) C4'-P energy: -103.146 bonds (distance) P-C4' energy: -116.822 flat angles C4'-P-C4' energy: -121.587 flat angles P-C4'-P energy: -63.524 tors. eta vs tors. theta energy: -140.236 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: 6, replica: 8 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1624.079203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.079203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.079203 (E_RNA) where: Base-Base interactions energy: -1106.648 where: short stacking energy: -489.000 Base-Backbone interact. energy: 0.274 local terms energy: -517.705058 where: bonds (distance) C4'-P energy: -109.587 bonds (distance) P-C4' energy: -97.460 flat angles C4'-P-C4' energy: -114.892 flat angles P-C4'-P energy: -70.016 tors. eta vs tors. theta energy: -125.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1428.872000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.872000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.872000 (E_RNA) where: Base-Base interactions energy: -958.714 where: short stacking energy: -411.024 Base-Backbone interact. energy: 10.052 local terms energy: -480.209915 where: bonds (distance) C4'-P energy: -92.205 bonds (distance) P-C4' energy: -111.274 flat angles C4'-P-C4' energy: -118.172 flat angles P-C4'-P energy: -75.363 tors. eta vs tors. theta energy: -83.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1411.517222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.517222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.517222 (E_RNA) where: Base-Base interactions energy: -927.877 where: short stacking energy: -418.551 Base-Backbone interact. energy: 0.456 local terms energy: -484.095768 where: bonds (distance) C4'-P energy: -107.117 bonds (distance) P-C4' energy: -108.364 flat angles C4'-P-C4' energy: -109.065 flat angles P-C4'-P energy: -69.979 tors. eta vs tors. theta energy: -89.570 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: 1 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -987.094938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.094938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.094938 (E_RNA) where: Base-Base interactions energy: -564.569 where: short stacking energy: -286.449 Base-Backbone interact. energy: -1.936 local terms energy: -420.589646 where: bonds (distance) C4'-P energy: -101.392 bonds (distance) P-C4' energy: -112.886 flat angles C4'-P-C4' energy: -96.061 flat angles P-C4'-P energy: -69.789 tors. eta vs tors. theta energy: -40.461 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: 4 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -728.946809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.946809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.946809 (E_RNA) where: Base-Base interactions energy: -372.714 where: short stacking energy: -205.764 Base-Backbone interact. energy: 0.678 local terms energy: -356.910149 where: bonds (distance) C4'-P energy: -89.555 bonds (distance) P-C4' energy: -97.553 flat angles C4'-P-C4' energy: -100.457 flat angles P-C4'-P energy: -64.931 tors. eta vs tors. theta energy: -4.414 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: 5 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2113.291377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.291377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.291377 (E_RNA) where: Base-Base interactions energy: -1471.340 where: short stacking energy: -623.609 Base-Backbone interact. energy: -1.448 local terms energy: -640.503223 where: bonds (distance) C4'-P energy: -122.939 bonds (distance) P-C4' energy: -119.533 flat angles C4'-P-C4' energy: -140.345 flat angles P-C4'-P energy: -84.684 tors. eta vs tors. theta energy: -173.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2108.323625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.323625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.323625 (E_RNA) where: Base-Base interactions energy: -1470.011 where: short stacking energy: -650.317 Base-Backbone interact. energy: -1.594 local terms energy: -636.718100 where: bonds (distance) C4'-P energy: -131.262 bonds (distance) P-C4' energy: -118.696 flat angles C4'-P-C4' energy: -124.186 flat angles P-C4'-P energy: -77.335 tors. eta vs tors. theta energy: -185.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1967.933134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.933134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.933134 (E_RNA) where: Base-Base interactions energy: -1347.097 where: short stacking energy: -578.246 Base-Backbone interact. energy: -2.349 local terms energy: -618.486801 where: bonds (distance) C4'-P energy: -107.684 bonds (distance) P-C4' energy: -109.623 flat angles C4'-P-C4' energy: -146.922 flat angles P-C4'-P energy: -90.518 tors. eta vs tors. theta energy: -163.740 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: 4, replica: 7 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1858.231846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.231846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.231846 (E_RNA) where: Base-Base interactions energy: -1250.104 where: short stacking energy: -550.763 Base-Backbone interact. energy: -2.304 local terms energy: -605.823584 where: bonds (distance) C4'-P energy: -112.799 bonds (distance) P-C4' energy: -129.969 flat angles C4'-P-C4' energy: -118.546 flat angles P-C4'-P energy: -83.390 tors. eta vs tors. theta energy: -161.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1648.233764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.233764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.233764 (E_RNA) where: Base-Base interactions energy: -1086.975 where: short stacking energy: -500.273 Base-Backbone interact. energy: 4.400 local terms energy: -565.658933 where: bonds (distance) C4'-P energy: -115.947 bonds (distance) P-C4' energy: -118.938 flat angles C4'-P-C4' energy: -126.297 flat angles P-C4'-P energy: -81.728 tors. eta vs tors. theta energy: -122.749 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: 8 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1609.928840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.928840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.928840 (E_RNA) where: Base-Base interactions energy: -1094.053 where: short stacking energy: -496.269 Base-Backbone interact. energy: -3.140 local terms energy: -512.735043 where: bonds (distance) C4'-P energy: -94.013 bonds (distance) P-C4' energy: -95.402 flat angles C4'-P-C4' energy: -114.589 flat angles P-C4'-P energy: -68.160 tors. eta vs tors. theta energy: -140.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1468.678784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.678784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.678784 (E_RNA) where: Base-Base interactions energy: -961.688 where: short stacking energy: -451.110 Base-Backbone interact. energy: -2.268 local terms energy: -504.722862 where: bonds (distance) C4'-P energy: -111.800 bonds (distance) P-C4' energy: -115.889 flat angles C4'-P-C4' energy: -110.630 flat angles P-C4'-P energy: -58.281 tors. eta vs tors. theta energy: -108.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1368.420508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.420508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.420508 (E_RNA) where: Base-Base interactions energy: -900.524 where: short stacking energy: -393.557 Base-Backbone interact. energy: -1.314 local terms energy: -466.582504 where: bonds (distance) C4'-P energy: -100.302 bonds (distance) P-C4' energy: -90.720 flat angles C4'-P-C4' energy: -118.271 flat angles P-C4'-P energy: -68.545 tors. eta vs tors. theta energy: -88.745 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: 1 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -994.443234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.443234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.443234 (E_RNA) where: Base-Base interactions energy: -625.618 where: short stacking energy: -313.742 Base-Backbone interact. energy: 6.850 local terms energy: -375.675209 where: bonds (distance) C4'-P energy: -99.019 bonds (distance) P-C4' energy: -75.367 flat angles C4'-P-C4' energy: -110.613 flat angles P-C4'-P energy: -48.466 tors. eta vs tors. theta energy: -42.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -629.286762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.286762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.286762 (E_RNA) where: Base-Base interactions energy: -293.093 where: short stacking energy: -167.614 Base-Backbone interact. energy: 2.240 local terms energy: -338.433166 where: bonds (distance) C4'-P energy: -97.747 bonds (distance) P-C4' energy: -109.751 flat angles C4'-P-C4' energy: -86.493 flat angles P-C4'-P energy: -54.717 tors. eta vs tors. theta energy: 10.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2127.161765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.161765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.161765 (E_RNA) where: Base-Base interactions energy: -1490.062 where: short stacking energy: -602.239 Base-Backbone interact. energy: -1.307 local terms energy: -635.793332 where: bonds (distance) C4'-P energy: -122.036 bonds (distance) P-C4' energy: -132.798 flat angles C4'-P-C4' energy: -135.322 flat angles P-C4'-P energy: -82.331 tors. eta vs tors. theta energy: -163.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2155.875402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.875402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.875402 (E_RNA) where: Base-Base interactions energy: -1507.738 where: short stacking energy: -648.066 Base-Backbone interact. energy: -1.625 local terms energy: -646.511951 where: bonds (distance) C4'-P energy: -99.211 bonds (distance) P-C4' energy: -123.233 flat angles C4'-P-C4' energy: -151.148 flat angles P-C4'-P energy: -83.919 tors. eta vs tors. theta energy: -189.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1961.209373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.209373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.209373 (E_RNA) where: Base-Base interactions energy: -1332.564 where: short stacking energy: -594.371 Base-Backbone interact. energy: -2.668 local terms energy: -625.976636 where: bonds (distance) C4'-P energy: -114.430 bonds (distance) P-C4' energy: -117.216 flat angles C4'-P-C4' energy: -140.450 flat angles P-C4'-P energy: -82.231 tors. eta vs tors. theta energy: -171.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1843.153560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.153560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.153560 (E_RNA) where: Base-Base interactions energy: -1250.326 where: short stacking energy: -567.354 Base-Backbone interact. energy: -2.368 local terms energy: -590.459534 where: bonds (distance) C4'-P energy: -98.126 bonds (distance) P-C4' energy: -114.115 flat angles C4'-P-C4' energy: -124.535 flat angles P-C4'-P energy: -86.742 tors. eta vs tors. theta energy: -166.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1640.613467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.613467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.613467 (E_RNA) where: Base-Base interactions energy: -1103.845 where: short stacking energy: -520.174 Base-Backbone interact. energy: -1.856 local terms energy: -534.912483 where: bonds (distance) C4'-P energy: -100.178 bonds (distance) P-C4' energy: -101.308 flat angles C4'-P-C4' energy: -109.207 flat angles P-C4'-P energy: -82.463 tors. eta vs tors. theta energy: -141.757 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: 6, replica: 8 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1627.980163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.980163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.980163 (E_RNA) where: Base-Base interactions energy: -1101.463 where: short stacking energy: -499.149 Base-Backbone interact. energy: 1.323 local terms energy: -527.840099 where: bonds (distance) C4'-P energy: -98.371 bonds (distance) P-C4' energy: -98.705 flat angles C4'-P-C4' energy: -121.995 flat angles P-C4'-P energy: -71.215 tors. eta vs tors. theta energy: -137.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1542.246483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.246483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.246483 (E_RNA) where: Base-Base interactions energy: -1055.631 where: short stacking energy: -450.409 Base-Backbone interact. energy: 0.896 local terms energy: -487.512069 where: bonds (distance) C4'-P energy: -99.042 bonds (distance) P-C4' energy: -102.285 flat angles C4'-P-C4' energy: -108.668 flat angles P-C4'-P energy: -68.444 tors. eta vs tors. theta energy: -109.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1297.011190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.011190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.011190 (E_RNA) where: Base-Base interactions energy: -852.944 where: short stacking energy: -384.403 Base-Backbone interact. energy: -4.226 local terms energy: -439.841045 where: bonds (distance) C4'-P energy: -93.013 bonds (distance) P-C4' energy: -110.832 flat angles C4'-P-C4' energy: -105.200 flat angles P-C4'-P energy: -61.196 tors. eta vs tors. theta energy: -69.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -963.223511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.223511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.223511 (E_RNA) where: Base-Base interactions energy: -599.734 where: short stacking energy: -273.067 Base-Backbone interact. energy: -4.485 local terms energy: -359.004202 where: bonds (distance) C4'-P energy: -90.349 bonds (distance) P-C4' energy: -106.022 flat angles C4'-P-C4' energy: -86.779 flat angles P-C4'-P energy: -51.985 tors. eta vs tors. theta energy: -23.869 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: 4 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -693.918620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.918620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.918620 (E_RNA) where: Base-Base interactions energy: -366.578 where: short stacking energy: -181.949 Base-Backbone interact. energy: 1.213 local terms energy: -328.553398 where: bonds (distance) C4'-P energy: -110.713 bonds (distance) P-C4' energy: -101.457 flat angles C4'-P-C4' energy: -77.533 flat angles P-C4'-P energy: -29.728 tors. eta vs tors. theta energy: -9.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2167.541716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.541716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.541716 (E_RNA) where: Base-Base interactions energy: -1504.761 where: short stacking energy: -644.407 Base-Backbone interact. energy: -3.643 local terms energy: -659.137803 where: bonds (distance) C4'-P energy: -115.905 bonds (distance) P-C4' energy: -127.349 flat angles C4'-P-C4' energy: -145.876 flat angles P-C4'-P energy: -91.656 tors. eta vs tors. theta energy: -178.352 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: 5 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2076.162041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.162041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.162041 (E_RNA) where: Base-Base interactions energy: -1474.251 where: short stacking energy: -609.874 Base-Backbone interact. energy: -4.328 local terms energy: -597.582461 where: bonds (distance) C4'-P energy: -108.528 bonds (distance) P-C4' energy: -118.395 flat angles C4'-P-C4' energy: -127.746 flat angles P-C4'-P energy: -74.632 tors. eta vs tors. theta energy: -168.281 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: 3 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1939.120271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.120271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.120271 (E_RNA) where: Base-Base interactions energy: -1325.388 where: short stacking energy: -597.039 Base-Backbone interact. energy: 1.418 local terms energy: -615.151018 where: bonds (distance) C4'-P energy: -114.211 bonds (distance) P-C4' energy: -116.953 flat angles C4'-P-C4' energy: -142.319 flat angles P-C4'-P energy: -76.765 tors. eta vs tors. theta energy: -164.903 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: 7 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1823.445927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.445927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.445927 (E_RNA) where: Base-Base interactions energy: -1237.204 where: short stacking energy: -564.403 Base-Backbone interact. energy: -2.416 local terms energy: -583.826769 where: bonds (distance) C4'-P energy: -121.765 bonds (distance) P-C4' energy: -111.604 flat angles C4'-P-C4' energy: -130.656 flat angles P-C4'-P energy: -74.606 tors. eta vs tors. theta energy: -145.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1646.852283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.852283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.852283 (E_RNA) where: Base-Base interactions energy: -1105.141 where: short stacking energy: -505.667 Base-Backbone interact. energy: 2.201 local terms energy: -543.912636 where: bonds (distance) C4'-P energy: -110.714 bonds (distance) P-C4' energy: -113.778 flat angles C4'-P-C4' energy: -121.373 flat angles P-C4'-P energy: -73.056 tors. eta vs tors. theta energy: -124.991 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: 8 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1710.974715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.974715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.974715 (E_RNA) where: Base-Base interactions energy: -1173.790 where: short stacking energy: -526.920 Base-Backbone interact. energy: -2.414 local terms energy: -534.770632 where: bonds (distance) C4'-P energy: -109.648 bonds (distance) P-C4' energy: -110.182 flat angles C4'-P-C4' energy: -114.378 flat angles P-C4'-P energy: -68.675 tors. eta vs tors. theta energy: -131.888 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: 146 Temperature: 1.200000 Total energy: -1530.551059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.551059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.551059 (E_RNA) where: Base-Base interactions energy: -1029.440 where: short stacking energy: -440.390 Base-Backbone interact. energy: -2.910 local terms energy: -498.200398 where: bonds (distance) C4'-P energy: -117.620 bonds (distance) P-C4' energy: -101.386 flat angles C4'-P-C4' energy: -119.552 flat angles P-C4'-P energy: -61.765 tors. eta vs tors. theta energy: -97.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1260.380262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.380262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.380262 (E_RNA) where: Base-Base interactions energy: -821.093 where: short stacking energy: -357.764 Base-Backbone interact. energy: -3.464 local terms energy: -435.824171 where: bonds (distance) C4'-P energy: -93.024 bonds (distance) P-C4' energy: -107.124 flat angles C4'-P-C4' energy: -95.296 flat angles P-C4'-P energy: -65.176 tors. eta vs tors. theta energy: -75.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -918.876344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.876344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.876344 (E_RNA) where: Base-Base interactions energy: -537.985 where: short stacking energy: -274.038 Base-Backbone interact. energy: 5.525 local terms energy: -386.416001 where: bonds (distance) C4'-P energy: -92.711 bonds (distance) P-C4' energy: -102.253 flat angles C4'-P-C4' energy: -114.584 flat angles P-C4'-P energy: -56.718 tors. eta vs tors. theta energy: -20.149 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: 4 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -710.146438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.146438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.146438 (E_RNA) where: Base-Base interactions energy: -387.293 where: short stacking energy: -210.256 Base-Backbone interact. energy: 2.142 local terms energy: -324.995668 where: bonds (distance) C4'-P energy: -81.609 bonds (distance) P-C4' energy: -105.825 flat angles C4'-P-C4' energy: -77.941 flat angles P-C4'-P energy: -62.292 tors. eta vs tors. theta energy: 2.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2191.358982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.358982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.358982 (E_RNA) where: Base-Base interactions energy: -1525.226 where: short stacking energy: -652.920 Base-Backbone interact. energy: -1.743 local terms energy: -664.390045 where: bonds (distance) C4'-P energy: -128.292 bonds (distance) P-C4' energy: -110.452 flat angles C4'-P-C4' energy: -131.926 flat angles P-C4'-P energy: -102.872 tors. eta vs tors. theta energy: -190.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2076.464847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.464847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.464847 (E_RNA) where: Base-Base interactions energy: -1439.966 where: short stacking energy: -614.060 Base-Backbone interact. energy: -3.529 local terms energy: -632.969765 where: bonds (distance) C4'-P energy: -113.648 bonds (distance) P-C4' energy: -117.731 flat angles C4'-P-C4' energy: -143.442 flat angles P-C4'-P energy: -94.683 tors. eta vs tors. theta energy: -163.465 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: 147 Temperature: 1.000000 Total energy: -1944.002450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.002450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.002450 (E_RNA) where: Base-Base interactions energy: -1349.430 where: short stacking energy: -593.455 Base-Backbone interact. energy: -2.706 local terms energy: -591.866264 where: bonds (distance) C4'-P energy: -107.501 bonds (distance) P-C4' energy: -121.786 flat angles C4'-P-C4' energy: -125.989 flat angles P-C4'-P energy: -70.488 tors. eta vs tors. theta energy: -166.103 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: 7 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1827.751111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.751111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.751111 (E_RNA) where: Base-Base interactions energy: -1232.986 where: short stacking energy: -550.645 Base-Backbone interact. energy: 0.794 local terms energy: -595.559071 where: bonds (distance) C4'-P energy: -117.892 bonds (distance) P-C4' energy: -121.324 flat angles C4'-P-C4' energy: -133.085 flat angles P-C4'-P energy: -79.846 tors. eta vs tors. theta energy: -143.412 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: 5, replica: 9 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1616.481951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.481951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.481951 (E_RNA) where: Base-Base interactions energy: -1084.541 where: short stacking energy: -501.129 Base-Backbone interact. energy: 1.175 local terms energy: -533.115976 where: bonds (distance) C4'-P energy: -103.234 bonds (distance) P-C4' energy: -103.505 flat angles C4'-P-C4' energy: -133.027 flat angles P-C4'-P energy: -73.326 tors. eta vs tors. theta energy: -120.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1626.328826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.328826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.328826 (E_RNA) where: Base-Base interactions energy: -1088.465 where: short stacking energy: -475.311 Base-Backbone interact. energy: -3.615 local terms energy: -534.248413 where: bonds (distance) C4'-P energy: -108.807 bonds (distance) P-C4' energy: -109.252 flat angles C4'-P-C4' energy: -117.912 flat angles P-C4'-P energy: -85.323 tors. eta vs tors. theta energy: -112.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1490.971523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.971523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.971523 (E_RNA) where: Base-Base interactions energy: -993.528 where: short stacking energy: -438.747 Base-Backbone interact. energy: 1.187 local terms energy: -498.630029 where: bonds (distance) C4'-P energy: -104.496 bonds (distance) P-C4' energy: -109.105 flat angles C4'-P-C4' energy: -90.690 flat angles P-C4'-P energy: -85.580 tors. eta vs tors. theta energy: -108.759 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: 147 Temperature: 1.250000 Total energy: -1331.624602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.624602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.624602 (E_RNA) where: Base-Base interactions energy: -889.519 where: short stacking energy: -393.037 Base-Backbone interact. energy: 0.109 local terms energy: -442.214684 where: bonds (distance) C4'-P energy: -79.020 bonds (distance) P-C4' energy: -99.952 flat angles C4'-P-C4' energy: -110.840 flat angles P-C4'-P energy: -61.260 tors. eta vs tors. theta energy: -91.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -927.741507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.741507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.741507 (E_RNA) where: Base-Base interactions energy: -522.684 where: short stacking energy: -256.698 Base-Backbone interact. energy: -0.409 local terms energy: -404.648399 where: bonds (distance) C4'-P energy: -103.695 bonds (distance) P-C4' energy: -109.828 flat angles C4'-P-C4' energy: -99.440 flat angles P-C4'-P energy: -64.953 tors. eta vs tors. theta energy: -26.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -628.692971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.692971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.692971 (E_RNA) where: Base-Base interactions energy: -307.620 where: short stacking energy: -191.240 Base-Backbone interact. energy: -3.021 local terms energy: -318.052453 where: bonds (distance) C4'-P energy: -97.421 bonds (distance) P-C4' energy: -107.264 flat angles C4'-P-C4' energy: -64.515 flat angles P-C4'-P energy: -55.241 tors. eta vs tors. theta energy: 6.389 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: 1, replica: 2 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2169.716786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.716786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.716786 (E_RNA) where: Base-Base interactions energy: -1527.812 where: short stacking energy: -623.614 Base-Backbone interact. energy: 3.055 local terms energy: -644.959465 where: bonds (distance) C4'-P energy: -113.697 bonds (distance) P-C4' energy: -123.244 flat angles C4'-P-C4' energy: -145.103 flat angles P-C4'-P energy: -86.697 tors. eta vs tors. theta energy: -176.218 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: 5 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2086.911971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.911971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.911971 (E_RNA) where: Base-Base interactions energy: -1448.060 where: short stacking energy: -606.936 Base-Backbone interact. energy: 3.213 local terms energy: -642.064195 where: bonds (distance) C4'-P energy: -113.166 bonds (distance) P-C4' energy: -135.809 flat angles C4'-P-C4' energy: -139.160 flat angles P-C4'-P energy: -95.263 tors. eta vs tors. theta energy: -158.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1976.233306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.233306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.233306 (E_RNA) where: Base-Base interactions energy: -1355.460 where: short stacking energy: -594.731 Base-Backbone interact. energy: 0.395 local terms energy: -621.167897 where: bonds (distance) C4'-P energy: -116.725 bonds (distance) P-C4' energy: -119.677 flat angles C4'-P-C4' energy: -130.958 flat angles P-C4'-P energy: -83.758 tors. eta vs tors. theta energy: -170.050 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: 7 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1812.132331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.132331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.132331 (E_RNA) where: Base-Base interactions energy: -1242.094 where: short stacking energy: -535.887 Base-Backbone interact. energy: -1.653 local terms energy: -568.385031 where: bonds (distance) C4'-P energy: -118.048 bonds (distance) P-C4' energy: -104.642 flat angles C4'-P-C4' energy: -119.092 flat angles P-C4'-P energy: -86.946 tors. eta vs tors. theta energy: -139.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1736.116761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.116761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.116761 (E_RNA) where: Base-Base interactions energy: -1169.859 where: short stacking energy: -536.117 Base-Backbone interact. energy: -3.683 local terms energy: -562.575096 where: bonds (distance) C4'-P energy: -93.599 bonds (distance) P-C4' energy: -118.335 flat angles C4'-P-C4' energy: -133.364 flat angles P-C4'-P energy: -83.752 tors. eta vs tors. theta energy: -133.525 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: 9 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1587.033797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.033797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.033797 (E_RNA) where: Base-Base interactions energy: -1050.031 where: short stacking energy: -475.392 Base-Backbone interact. energy: 0.424 local terms energy: -537.426253 where: bonds (distance) C4'-P energy: -100.749 bonds (distance) P-C4' energy: -110.830 flat angles C4'-P-C4' energy: -114.450 flat angles P-C4'-P energy: -82.551 tors. eta vs tors. theta energy: -128.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1462.184613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.184613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.184613 (E_RNA) where: Base-Base interactions energy: -976.878 where: short stacking energy: -450.066 Base-Backbone interact. energy: -1.596 local terms energy: -483.710503 where: bonds (distance) C4'-P energy: -93.935 bonds (distance) P-C4' energy: -105.715 flat angles C4'-P-C4' energy: -111.516 flat angles P-C4'-P energy: -68.725 tors. eta vs tors. theta energy: -103.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1268.243261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.243261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.243261 (E_RNA) where: Base-Base interactions energy: -813.309 where: short stacking energy: -350.286 Base-Backbone interact. energy: 3.045 local terms energy: -457.978546 where: bonds (distance) C4'-P energy: -103.583 bonds (distance) P-C4' energy: -104.936 flat angles C4'-P-C4' energy: -108.751 flat angles P-C4'-P energy: -66.185 tors. eta vs tors. theta energy: -74.524 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: 9, replica: 1 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -886.800554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.800554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.800554 (E_RNA) where: Base-Base interactions energy: -487.907 where: short stacking energy: -233.794 Base-Backbone interact. energy: 0.814 local terms energy: -399.707670 where: bonds (distance) C4'-P energy: -108.558 bonds (distance) P-C4' energy: -102.335 flat angles C4'-P-C4' energy: -107.145 flat angles P-C4'-P energy: -57.556 tors. eta vs tors. theta energy: -24.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -565.480778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.480778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.480778 (E_RNA) where: Base-Base interactions energy: -223.846 where: short stacking energy: -177.568 Base-Backbone interact. energy: -0.389 local terms energy: -341.246193 where: bonds (distance) C4'-P energy: -93.917 bonds (distance) P-C4' energy: -105.243 flat angles C4'-P-C4' energy: -90.681 flat angles P-C4'-P energy: -50.300 tors. eta vs tors. theta energy: -1.106 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: 1, replica: 2 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2180.379967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.379967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.379967 (E_RNA) where: Base-Base interactions energy: -1527.327 where: short stacking energy: -642.407 Base-Backbone interact. energy: -0.787 local terms energy: -652.265431 where: bonds (distance) C4'-P energy: -127.863 bonds (distance) P-C4' energy: -118.083 flat angles C4'-P-C4' energy: -129.675 flat angles P-C4'-P energy: -88.535 tors. eta vs tors. theta energy: -188.109 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: 5 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2067.127932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.127932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.127932 (E_RNA) where: Base-Base interactions energy: -1435.171 where: short stacking energy: -603.105 Base-Backbone interact. energy: -0.661 local terms energy: -631.295929 where: bonds (distance) C4'-P energy: -111.859 bonds (distance) P-C4' energy: -123.017 flat angles C4'-P-C4' energy: -132.246 flat angles P-C4'-P energy: -95.721 tors. eta vs tors. theta energy: -168.453 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: 3 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1978.226800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.226800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.226800 (E_RNA) where: Base-Base interactions energy: -1346.548 where: short stacking energy: -591.870 Base-Backbone interact. energy: -3.527 local terms energy: -628.152449 where: bonds (distance) C4'-P energy: -114.181 bonds (distance) P-C4' energy: -121.677 flat angles C4'-P-C4' energy: -134.083 flat angles P-C4'-P energy: -92.838 tors. eta vs tors. theta energy: -165.373 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: 4, replica: 7 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1854.812240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.812240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.812240 (E_RNA) where: Base-Base interactions energy: -1271.359 where: short stacking energy: -559.335 Base-Backbone interact. energy: -2.137 local terms energy: -581.316816 where: bonds (distance) C4'-P energy: -104.250 bonds (distance) P-C4' energy: -109.448 flat angles C4'-P-C4' energy: -127.978 flat angles P-C4'-P energy: -85.344 tors. eta vs tors. theta energy: -154.297 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: 5, replica: 8 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1713.341531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.341531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.341531 (E_RNA) where: Base-Base interactions energy: -1150.571 where: short stacking energy: -512.068 Base-Backbone interact. energy: -0.198 local terms energy: -562.572292 where: bonds (distance) C4'-P energy: -123.059 bonds (distance) P-C4' energy: -99.983 flat angles C4'-P-C4' energy: -124.645 flat angles P-C4'-P energy: -88.765 tors. eta vs tors. theta energy: -126.120 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: 9 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1601.491944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.491944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.491944 (E_RNA) where: Base-Base interactions energy: -1065.595 where: short stacking energy: -457.174 Base-Backbone interact. energy: 1.139 local terms energy: -537.036573 where: bonds (distance) C4'-P energy: -109.731 bonds (distance) P-C4' energy: -127.709 flat angles C4'-P-C4' energy: -109.421 flat angles P-C4'-P energy: -75.998 tors. eta vs tors. theta energy: -114.178 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: 7, replica: 6 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1481.301904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.301904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.301904 (E_RNA) where: Base-Base interactions energy: -972.906 where: short stacking energy: -418.474 Base-Backbone interact. energy: -3.384 local terms energy: -505.011178 where: bonds (distance) C4'-P energy: -109.638 bonds (distance) P-C4' energy: -99.828 flat angles C4'-P-C4' energy: -114.369 flat angles P-C4'-P energy: -76.125 tors. eta vs tors. theta energy: -105.051 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: 8, replica: 10 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1205.497788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.497788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.497788 (E_RNA) where: Base-Base interactions energy: -758.692 where: short stacking energy: -354.297 Base-Backbone interact. energy: 2.996 local terms energy: -449.802114 where: bonds (distance) C4'-P energy: -106.082 bonds (distance) P-C4' energy: -95.507 flat angles C4'-P-C4' energy: -99.750 flat angles P-C4'-P energy: -75.128 tors. eta vs tors. theta energy: -73.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -869.149588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.149588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.149588 (E_RNA) where: Base-Base interactions energy: -507.591 where: short stacking energy: -250.813 Base-Backbone interact. energy: -2.103 local terms energy: -359.455660 where: bonds (distance) C4'-P energy: -83.016 bonds (distance) P-C4' energy: -95.889 flat angles C4'-P-C4' energy: -98.744 flat angles P-C4'-P energy: -56.693 tors. eta vs tors. theta energy: -25.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -550.926010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.926010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.926010 (E_RNA) where: Base-Base interactions energy: -228.733 where: short stacking energy: -159.490 Base-Backbone interact. energy: 4.450 local terms energy: -326.642702 where: bonds (distance) C4'-P energy: -102.119 bonds (distance) P-C4' energy: -112.997 flat angles C4'-P-C4' energy: -80.051 flat angles P-C4'-P energy: -50.268 tors. eta vs tors. theta energy: 18.793 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: 2 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2213.289779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.289779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.289779 (E_RNA) where: Base-Base interactions energy: -1534.352 where: short stacking energy: -669.611 Base-Backbone interact. energy: -4.652 local terms energy: -674.285101 where: bonds (distance) C4'-P energy: -125.681 bonds (distance) P-C4' energy: -130.520 flat angles C4'-P-C4' energy: -142.079 flat angles P-C4'-P energy: -92.363 tors. eta vs tors. theta energy: -183.641 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: 2, replica: 5 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2072.427822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.427822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.427822 (E_RNA) where: Base-Base interactions energy: -1444.165 where: short stacking energy: -597.912 Base-Backbone interact. energy: 1.421 local terms energy: -629.684367 where: bonds (distance) C4'-P energy: -108.517 bonds (distance) P-C4' energy: -127.919 flat angles C4'-P-C4' energy: -145.259 flat angles P-C4'-P energy: -84.408 tors. eta vs tors. theta energy: -163.582 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: 3, replica: 3 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2002.509151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.509151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.509151 (E_RNA) where: Base-Base interactions energy: -1378.051 where: short stacking energy: -612.053 Base-Backbone interact. energy: -0.989 local terms energy: -623.468979 where: bonds (distance) C4'-P energy: -98.884 bonds (distance) P-C4' energy: -110.359 flat angles C4'-P-C4' energy: -137.251 flat angles P-C4'-P energy: -92.660 tors. eta vs tors. theta energy: -184.315 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: 7 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1819.193039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.193039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.193039 (E_RNA) where: Base-Base interactions energy: -1256.866 where: short stacking energy: -548.457 Base-Backbone interact. energy: -1.654 local terms energy: -560.673095 where: bonds (distance) C4'-P energy: -100.071 bonds (distance) P-C4' energy: -100.423 flat angles C4'-P-C4' energy: -125.904 flat angles P-C4'-P energy: -88.975 tors. eta vs tors. theta energy: -145.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1737.840272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.840272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.840272 (E_RNA) where: Base-Base interactions energy: -1196.607 where: short stacking energy: -536.594 Base-Backbone interact. energy: 4.387 local terms energy: -545.619646 where: bonds (distance) C4'-P energy: -103.274 bonds (distance) P-C4' energy: -99.668 flat angles C4'-P-C4' energy: -124.632 flat angles P-C4'-P energy: -79.867 tors. eta vs tors. theta energy: -138.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1620.556111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.556111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.556111 (E_RNA) where: Base-Base interactions energy: -1076.444 where: short stacking energy: -493.283 Base-Backbone interact. energy: -3.468 local terms energy: -540.644578 where: bonds (distance) C4'-P energy: -109.564 bonds (distance) P-C4' energy: -117.557 flat angles C4'-P-C4' energy: -117.135 flat angles P-C4'-P energy: -76.255 tors. eta vs tors. theta energy: -120.134 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: 6 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1524.305292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.305292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.305292 (E_RNA) where: Base-Base interactions energy: -1013.776 where: short stacking energy: -458.535 Base-Backbone interact. energy: -4.294 local terms energy: -506.235347 where: bonds (distance) C4'-P energy: -99.517 bonds (distance) P-C4' energy: -104.477 flat angles C4'-P-C4' energy: -108.747 flat angles P-C4'-P energy: -78.621 tors. eta vs tors. theta energy: -114.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1207.311727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.311727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.311727 (E_RNA) where: Base-Base interactions energy: -772.495 where: short stacking energy: -364.495 Base-Backbone interact. energy: 3.134 local terms energy: -437.950645 where: bonds (distance) C4'-P energy: -104.342 bonds (distance) P-C4' energy: -92.658 flat angles C4'-P-C4' energy: -89.671 flat angles P-C4'-P energy: -82.887 tors. eta vs tors. theta energy: -68.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -904.046415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.046415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.046415 (E_RNA) where: Base-Base interactions energy: -547.581 where: short stacking energy: -260.896 Base-Backbone interact. energy: -3.776 local terms energy: -352.688982 where: bonds (distance) C4'-P energy: -83.204 bonds (distance) P-C4' energy: -108.410 flat angles C4'-P-C4' energy: -90.887 flat angles P-C4'-P energy: -41.239 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: 10, replica: 4 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -567.179434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.179434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.179434 (E_RNA) where: Base-Base interactions energy: -237.760 where: short stacking energy: -159.695 Base-Backbone interact. energy: -3.112 local terms energy: -326.306967 where: bonds (distance) C4'-P energy: -101.062 bonds (distance) P-C4' energy: -101.526 flat angles C4'-P-C4' energy: -98.461 flat angles P-C4'-P energy: -48.461 tors. eta vs tors. theta energy: 23.203 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: 151 Temperature: 0.900000 Total energy: -2198.386577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.386577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.386577 (E_RNA) where: Base-Base interactions energy: -1526.767 where: short stacking energy: -652.409 Base-Backbone interact. energy: -3.027 local terms energy: -668.592089 where: bonds (distance) C4'-P energy: -125.368 bonds (distance) P-C4' energy: -119.922 flat angles C4'-P-C4' energy: -137.666 flat angles P-C4'-P energy: -100.817 tors. eta vs tors. theta energy: -184.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2063.355930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.355930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.355930 (E_RNA) where: Base-Base interactions energy: -1417.791 where: short stacking energy: -618.415 Base-Backbone interact. energy: -5.064 local terms energy: -640.501087 where: bonds (distance) C4'-P energy: -114.846 bonds (distance) P-C4' energy: -121.200 flat angles C4'-P-C4' energy: -140.279 flat angles P-C4'-P energy: -97.187 tors. eta vs tors. theta energy: -166.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1993.046265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.046265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.046265 (E_RNA) where: Base-Base interactions energy: -1377.692 where: short stacking energy: -631.728 Base-Backbone interact. energy: 0.216 local terms energy: -615.570746 where: bonds (distance) C4'-P energy: -113.897 bonds (distance) P-C4' energy: -119.265 flat angles C4'-P-C4' energy: -124.717 flat angles P-C4'-P energy: -89.632 tors. eta vs tors. theta energy: -168.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1806.900550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.900550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.900550 (E_RNA) where: Base-Base interactions energy: -1244.331 where: short stacking energy: -528.838 Base-Backbone interact. energy: 0.264 local terms energy: -562.833682 where: bonds (distance) C4'-P energy: -103.612 bonds (distance) P-C4' energy: -107.197 flat angles C4'-P-C4' energy: -132.356 flat angles P-C4'-P energy: -82.248 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: 5, replica: 8 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1759.207966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.207966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.207966 (E_RNA) where: Base-Base interactions energy: -1185.625 where: short stacking energy: -554.485 Base-Backbone interact. energy: -3.336 local terms energy: -570.246639 where: bonds (distance) C4'-P energy: -99.825 bonds (distance) P-C4' energy: -112.217 flat angles C4'-P-C4' energy: -124.051 flat angles P-C4'-P energy: -83.068 tors. eta vs tors. theta energy: -151.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1566.638357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.638357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.638357 (E_RNA) where: Base-Base interactions energy: -1007.259 where: short stacking energy: -487.543 Base-Backbone interact. energy: -2.092 local terms energy: -557.286599 where: bonds (distance) C4'-P energy: -108.378 bonds (distance) P-C4' energy: -132.832 flat angles C4'-P-C4' energy: -111.225 flat angles P-C4'-P energy: -75.445 tors. eta vs tors. theta energy: -129.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1518.006728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.006728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.006728 (E_RNA) where: Base-Base interactions energy: -1016.096 where: short stacking energy: -464.414 Base-Backbone interact. energy: 2.060 local terms energy: -503.970717 where: bonds (distance) C4'-P energy: -99.713 bonds (distance) P-C4' energy: -99.636 flat angles C4'-P-C4' energy: -109.547 flat angles P-C4'-P energy: -79.571 tors. eta vs tors. theta energy: -115.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1218.493967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.493967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.493967 (E_RNA) where: Base-Base interactions energy: -783.340 where: short stacking energy: -355.477 Base-Backbone interact. energy: 1.076 local terms energy: -436.229769 where: bonds (distance) C4'-P energy: -111.708 bonds (distance) P-C4' energy: -110.903 flat angles C4'-P-C4' energy: -93.940 flat angles P-C4'-P energy: -56.250 tors. eta vs tors. theta energy: -63.430 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: 1 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -910.435281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.435281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.435281 (E_RNA) where: Base-Base interactions energy: -516.974 where: short stacking energy: -240.698 Base-Backbone interact. energy: 3.266 local terms energy: -396.727726 where: bonds (distance) C4'-P energy: -91.861 bonds (distance) P-C4' energy: -107.848 flat angles C4'-P-C4' energy: -96.087 flat angles P-C4'-P energy: -69.717 tors. eta vs tors. theta energy: -31.215 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: 4 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -585.545933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.545933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.545933 (E_RNA) where: Base-Base interactions energy: -230.864 where: short stacking energy: -166.018 Base-Backbone interact. energy: -0.641 local terms energy: -354.040362 where: bonds (distance) C4'-P energy: -92.066 bonds (distance) P-C4' energy: -117.819 flat angles C4'-P-C4' energy: -87.140 flat angles P-C4'-P energy: -57.977 tors. eta vs tors. theta energy: 0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2200.273428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.273428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.273428 (E_RNA) where: Base-Base interactions energy: -1546.189 where: short stacking energy: -674.841 Base-Backbone interact. energy: 1.072 local terms energy: -655.156108 where: bonds (distance) C4'-P energy: -131.433 bonds (distance) P-C4' energy: -107.125 flat angles C4'-P-C4' energy: -133.626 flat angles P-C4'-P energy: -98.310 tors. eta vs tors. theta energy: -184.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2115.788393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.788393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.788393 (E_RNA) where: Base-Base interactions energy: -1468.679 where: short stacking energy: -631.585 Base-Backbone interact. energy: 2.603 local terms energy: -649.712150 where: bonds (distance) C4'-P energy: -117.040 bonds (distance) P-C4' energy: -122.524 flat angles C4'-P-C4' energy: -140.217 flat angles P-C4'-P energy: -100.042 tors. eta vs tors. theta energy: -169.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1956.597426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.597426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.597426 (E_RNA) where: Base-Base interactions energy: -1353.803 where: short stacking energy: -595.279 Base-Backbone interact. energy: -2.057 local terms energy: -600.737121 where: bonds (distance) C4'-P energy: -109.572 bonds (distance) P-C4' energy: -114.971 flat angles C4'-P-C4' energy: -123.701 flat angles P-C4'-P energy: -84.972 tors. eta vs tors. theta energy: -167.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1802.454423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.454423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.454423 (E_RNA) where: Base-Base interactions energy: -1230.491 where: short stacking energy: -559.363 Base-Backbone interact. energy: -1.436 local terms energy: -570.527235 where: bonds (distance) C4'-P energy: -104.810 bonds (distance) P-C4' energy: -131.674 flat angles C4'-P-C4' energy: -122.626 flat angles P-C4'-P energy: -68.573 tors. eta vs tors. theta energy: -142.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1769.865981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.865981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.865981 (E_RNA) where: Base-Base interactions energy: -1189.034 where: short stacking energy: -541.927 Base-Backbone interact. energy: -2.603 local terms energy: -578.229287 where: bonds (distance) C4'-P energy: -109.597 bonds (distance) P-C4' energy: -98.506 flat angles C4'-P-C4' energy: -131.782 flat angles P-C4'-P energy: -87.593 tors. eta vs tors. theta energy: -150.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1568.313837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.313837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.313837 (E_RNA) where: Base-Base interactions energy: -1051.681 where: short stacking energy: -481.051 Base-Backbone interact. energy: -3.724 local terms energy: -512.908627 where: bonds (distance) C4'-P energy: -98.936 bonds (distance) P-C4' energy: -105.244 flat angles C4'-P-C4' energy: -119.128 flat angles P-C4'-P energy: -70.556 tors. eta vs tors. theta energy: -119.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1582.222013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.222013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.222013 (E_RNA) where: Base-Base interactions energy: -1067.563 where: short stacking energy: -468.008 Base-Backbone interact. energy: 1.123 local terms energy: -515.781932 where: bonds (distance) C4'-P energy: -94.438 bonds (distance) P-C4' energy: -94.056 flat angles C4'-P-C4' energy: -120.498 flat angles P-C4'-P energy: -87.663 tors. eta vs tors. theta energy: -119.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1182.918050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.918050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.918050 (E_RNA) where: Base-Base interactions energy: -749.140 where: short stacking energy: -346.169 Base-Backbone interact. energy: -2.775 local terms energy: -431.003408 where: bonds (distance) C4'-P energy: -98.132 bonds (distance) P-C4' energy: -108.701 flat angles C4'-P-C4' energy: -97.250 flat angles P-C4'-P energy: -69.473 tors. eta vs tors. theta energy: -57.448 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: 9, replica: 1 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -857.533413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.533413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.533413 (E_RNA) where: Base-Base interactions energy: -486.770 where: short stacking energy: -251.566 Base-Backbone interact. energy: 2.879 local terms energy: -373.642456 where: bonds (distance) C4'-P energy: -102.216 bonds (distance) P-C4' energy: -102.774 flat angles C4'-P-C4' energy: -81.102 flat angles P-C4'-P energy: -51.067 tors. eta vs tors. theta energy: -36.484 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: 4 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -609.580479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.580479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.580479 (E_RNA) where: Base-Base interactions energy: -257.406 where: short stacking energy: -169.790 Base-Backbone interact. energy: -3.669 local terms energy: -348.504981 where: bonds (distance) C4'-P energy: -95.691 bonds (distance) P-C4' energy: -119.957 flat angles C4'-P-C4' energy: -84.328 flat angles P-C4'-P energy: -50.819 tors. eta vs tors. theta energy: 2.290 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: 2 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2218.290945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.290945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.290945 (E_RNA) where: Base-Base interactions energy: -1574.546 where: short stacking energy: -666.439 Base-Backbone interact. energy: -2.367 local terms energy: -641.378136 where: bonds (distance) C4'-P energy: -119.129 bonds (distance) P-C4' energy: -120.551 flat angles C4'-P-C4' energy: -130.355 flat angles P-C4'-P energy: -84.372 tors. eta vs tors. theta energy: -186.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2082.656426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.656426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.656426 (E_RNA) where: Base-Base interactions energy: -1438.299 where: short stacking energy: -594.623 Base-Backbone interact. energy: -4.201 local terms energy: -640.156072 where: bonds (distance) C4'-P energy: -119.869 bonds (distance) P-C4' energy: -128.618 flat angles C4'-P-C4' energy: -126.393 flat angles P-C4'-P energy: -100.626 tors. eta vs tors. theta energy: -164.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1957.551615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.551615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.551615 (E_RNA) where: Base-Base interactions energy: -1331.585 where: short stacking energy: -593.587 Base-Backbone interact. energy: -2.078 local terms energy: -623.888897 where: bonds (distance) C4'-P energy: -111.980 bonds (distance) P-C4' energy: -118.842 flat angles C4'-P-C4' energy: -137.134 flat angles P-C4'-P energy: -93.901 tors. eta vs tors. theta energy: -162.032 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: 4, replica: 7 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1828.837439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.837439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.837439 (E_RNA) where: Base-Base interactions energy: -1247.397 where: short stacking energy: -536.555 Base-Backbone interact. energy: -0.413 local terms energy: -581.027072 where: bonds (distance) C4'-P energy: -118.415 bonds (distance) P-C4' energy: -116.266 flat angles C4'-P-C4' energy: -121.626 flat angles P-C4'-P energy: -80.053 tors. eta vs tors. theta energy: -144.667 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: 8 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1866.548324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.548324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.548324 (E_RNA) where: Base-Base interactions energy: -1264.815 where: short stacking energy: -538.977 Base-Backbone interact. energy: -2.083 local terms energy: -599.650360 where: bonds (distance) C4'-P energy: -110.553 bonds (distance) P-C4' energy: -121.127 flat angles C4'-P-C4' energy: -127.638 flat angles P-C4'-P energy: -78.894 tors. eta vs tors. theta energy: -161.439 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: 6 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1622.124561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.124561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.124561 (E_RNA) where: Base-Base interactions energy: -1086.953 where: short stacking energy: -484.593 Base-Backbone interact. energy: -1.535 local terms energy: -533.636502 where: bonds (distance) C4'-P energy: -100.134 bonds (distance) P-C4' energy: -116.809 flat angles C4'-P-C4' energy: -117.040 flat angles P-C4'-P energy: -73.699 tors. eta vs tors. theta energy: -125.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1534.714666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.714666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.714666 (E_RNA) where: Base-Base interactions energy: -1014.553 where: short stacking energy: -464.520 Base-Backbone interact. energy: -1.383 local terms energy: -518.779055 where: bonds (distance) C4'-P energy: -94.594 bonds (distance) P-C4' energy: -111.492 flat angles C4'-P-C4' energy: -122.973 flat angles P-C4'-P energy: -73.355 tors. eta vs tors. theta energy: -116.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1221.176042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.176042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.176042 (E_RNA) where: Base-Base interactions energy: -761.895 where: short stacking energy: -354.958 Base-Backbone interact. energy: -1.435 local terms energy: -457.846134 where: bonds (distance) C4'-P energy: -109.381 bonds (distance) P-C4' energy: -98.600 flat angles C4'-P-C4' energy: -110.129 flat angles P-C4'-P energy: -62.098 tors. eta vs tors. theta energy: -77.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -797.112155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.112155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.112155 (E_RNA) where: Base-Base interactions energy: -460.089 where: short stacking energy: -212.083 Base-Backbone interact. energy: -0.250 local terms energy: -336.773437 where: bonds (distance) C4'-P energy: -93.550 bonds (distance) P-C4' energy: -107.606 flat angles C4'-P-C4' energy: -78.508 flat angles P-C4'-P energy: -51.863 tors. eta vs tors. theta energy: -5.247 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: 4 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -565.204684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.204684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.204684 (E_RNA) where: Base-Base interactions energy: -239.045 where: short stacking energy: -162.139 Base-Backbone interact. energy: 4.918 local terms energy: -331.077449 where: bonds (distance) C4'-P energy: -112.537 bonds (distance) P-C4' energy: -102.231 flat angles C4'-P-C4' energy: -57.268 flat angles P-C4'-P energy: -62.870 tors. eta vs tors. theta energy: 3.829 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: 1, replica: 2 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2224.082330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.082330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.082330 (E_RNA) where: Base-Base interactions energy: -1566.555 where: short stacking energy: -669.681 Base-Backbone interact. energy: -1.280 local terms energy: -656.247607 where: bonds (distance) C4'-P energy: -116.359 bonds (distance) P-C4' energy: -122.316 flat angles C4'-P-C4' energy: -135.775 flat angles P-C4'-P energy: -93.542 tors. eta vs tors. theta energy: -188.256 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: 5 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2085.993845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.993845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.993845 (E_RNA) where: Base-Base interactions energy: -1445.898 where: short stacking energy: -615.818 Base-Backbone interact. energy: -3.636 local terms energy: -636.460235 where: bonds (distance) C4'-P energy: -119.719 bonds (distance) P-C4' energy: -125.048 flat angles C4'-P-C4' energy: -132.776 flat angles P-C4'-P energy: -86.974 tors. eta vs tors. theta energy: -171.943 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: 3 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1962.684161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.684161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.684161 (E_RNA) where: Base-Base interactions energy: -1391.893 where: short stacking energy: -609.063 Base-Backbone interact. energy: -3.441 local terms energy: -567.350665 where: bonds (distance) C4'-P energy: -102.637 bonds (distance) P-C4' energy: -101.391 flat angles C4'-P-C4' energy: -124.213 flat angles P-C4'-P energy: -80.289 tors. eta vs tors. theta energy: -158.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1838.351359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.351359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.351359 (E_RNA) where: Base-Base interactions energy: -1251.567 where: short stacking energy: -566.924 Base-Backbone interact. energy: 0.129 local terms energy: -586.913738 where: bonds (distance) C4'-P energy: -115.220 bonds (distance) P-C4' energy: -113.230 flat angles C4'-P-C4' energy: -122.974 flat angles P-C4'-P energy: -80.820 tors. eta vs tors. theta energy: -154.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1805.503763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.503763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.503763 (E_RNA) where: Base-Base interactions energy: -1223.511 where: short stacking energy: -537.919 Base-Backbone interact. energy: -3.061 local terms energy: -578.931836 where: bonds (distance) C4'-P energy: -118.572 bonds (distance) P-C4' energy: -112.381 flat angles C4'-P-C4' energy: -127.483 flat angles P-C4'-P energy: -74.917 tors. eta vs tors. theta energy: -145.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1650.421261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.421261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.421261 (E_RNA) where: Base-Base interactions energy: -1097.348 where: short stacking energy: -495.892 Base-Backbone interact. energy: -4.130 local terms energy: -548.943011 where: bonds (distance) C4'-P energy: -118.360 bonds (distance) P-C4' energy: -113.722 flat angles C4'-P-C4' energy: -110.770 flat angles P-C4'-P energy: -67.996 tors. eta vs tors. theta energy: -138.094 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: 9 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1494.902346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.902346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.902346 (E_RNA) where: Base-Base interactions energy: -1008.356 where: short stacking energy: -451.687 Base-Backbone interact. energy: 0.044 local terms energy: -486.589909 where: bonds (distance) C4'-P energy: -88.014 bonds (distance) P-C4' energy: -89.484 flat angles C4'-P-C4' energy: -130.877 flat angles P-C4'-P energy: -66.419 tors. eta vs tors. theta energy: -111.796 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: 8, replica: 10 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1171.418881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.418881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.418881 (E_RNA) where: Base-Base interactions energy: -725.522 where: short stacking energy: -324.409 Base-Backbone interact. energy: 0.680 local terms energy: -446.577207 where: bonds (distance) C4'-P energy: -110.295 bonds (distance) P-C4' energy: -111.461 flat angles C4'-P-C4' energy: -91.808 flat angles P-C4'-P energy: -68.395 tors. eta vs tors. theta energy: -64.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -828.075835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.075835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.075835 (E_RNA) where: Base-Base interactions energy: -491.034 where: short stacking energy: -270.697 Base-Backbone interact. energy: -0.402 local terms energy: -336.639350 where: bonds (distance) C4'-P energy: -73.989 bonds (distance) P-C4' energy: -99.969 flat angles C4'-P-C4' energy: -77.368 flat angles P-C4'-P energy: -50.022 tors. eta vs tors. theta energy: -35.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -544.314025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.314025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.314025 (E_RNA) where: Base-Base interactions energy: -212.944 where: short stacking energy: -157.440 Base-Backbone interact. energy: 0.736 local terms energy: -332.105897 where: bonds (distance) C4'-P energy: -88.459 bonds (distance) P-C4' energy: -119.587 flat angles C4'-P-C4' energy: -90.501 flat angles P-C4'-P energy: -51.309 tors. eta vs tors. theta energy: 17.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2234.117316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.117316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.117316 (E_RNA) where: Base-Base interactions energy: -1566.081 where: short stacking energy: -662.102 Base-Backbone interact. energy: -2.371 local terms energy: -665.664597 where: bonds (distance) C4'-P energy: -117.700 bonds (distance) P-C4' energy: -124.301 flat angles C4'-P-C4' energy: -138.700 flat angles P-C4'-P energy: -87.338 tors. eta vs tors. theta energy: -197.625 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: 5 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2103.460194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.460194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.460194 (E_RNA) where: Base-Base interactions energy: -1466.104 where: short stacking energy: -636.870 Base-Backbone interact. energy: -2.435 local terms energy: -634.920543 where: bonds (distance) C4'-P energy: -107.083 bonds (distance) P-C4' energy: -119.726 flat angles C4'-P-C4' energy: -139.576 flat angles P-C4'-P energy: -92.973 tors. eta vs tors. theta energy: -175.562 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: 3, replica: 3 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1942.578017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.578017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.578017 (E_RNA) where: Base-Base interactions energy: -1320.328 where: short stacking energy: -564.144 Base-Backbone interact. energy: -5.338 local terms energy: -616.912259 where: bonds (distance) C4'-P energy: -119.902 bonds (distance) P-C4' energy: -119.672 flat angles C4'-P-C4' energy: -128.701 flat angles P-C4'-P energy: -84.054 tors. eta vs tors. theta energy: -164.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1847.261335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.261335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.261335 (E_RNA) where: Base-Base interactions energy: -1255.198 where: short stacking energy: -544.492 Base-Backbone interact. energy: -1.955 local terms energy: -590.108729 where: bonds (distance) C4'-P energy: -126.284 bonds (distance) P-C4' energy: -113.662 flat angles C4'-P-C4' energy: -124.046 flat angles P-C4'-P energy: -75.439 tors. eta vs tors. theta energy: -150.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1816.412069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.412069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.412069 (E_RNA) where: Base-Base interactions energy: -1227.255 where: short stacking energy: -532.821 Base-Backbone interact. energy: 2.240 local terms energy: -591.397435 where: bonds (distance) C4'-P energy: -119.253 bonds (distance) P-C4' energy: -120.656 flat angles C4'-P-C4' energy: -131.703 flat angles P-C4'-P energy: -66.118 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: 6, replica: 6 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1602.333686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.333686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.333686 (E_RNA) where: Base-Base interactions energy: -1075.048 where: short stacking energy: -456.374 Base-Backbone interact. energy: -0.411 local terms energy: -526.874667 where: bonds (distance) C4'-P energy: -104.370 bonds (distance) P-C4' energy: -102.282 flat angles C4'-P-C4' energy: -113.019 flat angles P-C4'-P energy: -81.740 tors. eta vs tors. theta energy: -125.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1498.723570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.723570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.723570 (E_RNA) where: Base-Base interactions energy: -991.619 where: short stacking energy: -455.382 Base-Backbone interact. energy: -2.152 local terms energy: -504.951640 where: bonds (distance) C4'-P energy: -110.833 bonds (distance) P-C4' energy: -100.752 flat angles C4'-P-C4' energy: -110.205 flat angles P-C4'-P energy: -73.673 tors. eta vs tors. theta energy: -109.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1288.074438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.074438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.074438 (E_RNA) where: Base-Base interactions energy: -851.360 where: short stacking energy: -360.505 Base-Backbone interact. energy: -5.302 local terms energy: -431.412219 where: bonds (distance) C4'-P energy: -97.375 bonds (distance) P-C4' energy: -100.074 flat angles C4'-P-C4' energy: -95.032 flat angles P-C4'-P energy: -60.592 tors. eta vs tors. theta energy: -78.339 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: 1 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -858.501073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.501073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.501073 (E_RNA) where: Base-Base interactions energy: -462.855 where: short stacking energy: -246.770 Base-Backbone interact. energy: -0.687 local terms energy: -394.958307 where: bonds (distance) C4'-P energy: -92.983 bonds (distance) P-C4' energy: -109.311 flat angles C4'-P-C4' energy: -98.586 flat angles P-C4'-P energy: -57.066 tors. eta vs tors. theta energy: -37.012 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: 4 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -587.099000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.099000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.099000 (E_RNA) where: Base-Base interactions energy: -256.442 where: short stacking energy: -153.349 Base-Backbone interact. energy: 0.041 local terms energy: -330.697957 where: bonds (distance) C4'-P energy: -101.188 bonds (distance) P-C4' energy: -108.628 flat angles C4'-P-C4' energy: -99.647 flat angles P-C4'-P energy: -39.482 tors. eta vs tors. theta energy: 18.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2224.666762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.666762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.666762 (E_RNA) where: Base-Base interactions energy: -1543.924 where: short stacking energy: -667.502 Base-Backbone interact. energy: -3.098 local terms energy: -677.644021 where: bonds (distance) C4'-P energy: -128.496 bonds (distance) P-C4' energy: -128.433 flat angles C4'-P-C4' energy: -147.519 flat angles P-C4'-P energy: -86.376 tors. eta vs tors. theta energy: -186.820 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: 2, replica: 5 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2072.231327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.231327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.231327 (E_RNA) where: Base-Base interactions energy: -1445.855 where: short stacking energy: -623.110 Base-Backbone interact. energy: 1.238 local terms energy: -627.614659 where: bonds (distance) C4'-P energy: -107.332 bonds (distance) P-C4' energy: -125.299 flat angles C4'-P-C4' energy: -135.035 flat angles P-C4'-P energy: -87.137 tors. eta vs tors. theta energy: -172.812 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: 3 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2010.248584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.248584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.248584 (E_RNA) where: Base-Base interactions energy: -1379.288 where: short stacking energy: -592.686 Base-Backbone interact. energy: -5.663 local terms energy: -625.297882 where: bonds (distance) C4'-P energy: -118.782 bonds (distance) P-C4' energy: -119.199 flat angles C4'-P-C4' energy: -135.141 flat angles P-C4'-P energy: -77.650 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: 4, replica: 7 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1829.301022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.301022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.301022 (E_RNA) where: Base-Base interactions energy: -1264.490 where: short stacking energy: -521.958 Base-Backbone interact. energy: -3.267 local terms energy: -561.544111 where: bonds (distance) C4'-P energy: -110.108 bonds (distance) P-C4' energy: -110.493 flat angles C4'-P-C4' energy: -134.936 flat angles P-C4'-P energy: -67.232 tors. eta vs tors. theta energy: -138.775 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: 8 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1754.073247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.073247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.073247 (E_RNA) where: Base-Base interactions energy: -1181.711 where: short stacking energy: -539.184 Base-Backbone interact. energy: -1.410 local terms energy: -570.952237 where: bonds (distance) C4'-P energy: -104.331 bonds (distance) P-C4' energy: -105.826 flat angles C4'-P-C4' energy: -127.815 flat angles P-C4'-P energy: -94.484 tors. eta vs tors. theta energy: -138.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1635.192765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.192765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.192765 (E_RNA) where: Base-Base interactions energy: -1084.307 where: short stacking energy: -490.449 Base-Backbone interact. energy: -2.288 local terms energy: -548.598535 where: bonds (distance) C4'-P energy: -103.402 bonds (distance) P-C4' energy: -98.285 flat angles C4'-P-C4' energy: -126.117 flat angles P-C4'-P energy: -74.789 tors. eta vs tors. theta energy: -146.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1506.066111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.066111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.066111 (E_RNA) where: Base-Base interactions energy: -1001.597 where: short stacking energy: -481.160 Base-Backbone interact. energy: -3.416 local terms energy: -501.053128 where: bonds (distance) C4'-P energy: -100.911 bonds (distance) P-C4' energy: -106.574 flat angles C4'-P-C4' energy: -117.137 flat angles P-C4'-P energy: -64.190 tors. eta vs tors. theta energy: -112.240 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: 10 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1221.465845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.465845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.465845 (E_RNA) where: Base-Base interactions energy: -783.463 where: short stacking energy: -343.605 Base-Backbone interact. energy: -1.052 local terms energy: -436.950845 where: bonds (distance) C4'-P energy: -86.566 bonds (distance) P-C4' energy: -109.056 flat angles C4'-P-C4' energy: -118.101 flat angles P-C4'-P energy: -61.301 tors. eta vs tors. theta energy: -61.928 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: 1 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -866.769070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.769070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.769070 (E_RNA) where: Base-Base interactions energy: -489.164 where: short stacking energy: -284.221 Base-Backbone interact. energy: 3.614 local terms energy: -381.218491 where: bonds (distance) C4'-P energy: -88.002 bonds (distance) P-C4' energy: -109.386 flat angles C4'-P-C4' energy: -86.701 flat angles P-C4'-P energy: -52.264 tors. eta vs tors. theta energy: -44.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -591.123389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.123389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.123389 (E_RNA) where: Base-Base interactions energy: -265.077 where: short stacking energy: -172.873 Base-Backbone interact. energy: -1.083 local terms energy: -324.964109 where: bonds (distance) C4'-P energy: -99.156 bonds (distance) P-C4' energy: -109.474 flat angles C4'-P-C4' energy: -88.127 flat angles P-C4'-P energy: -30.707 tors. eta vs tors. theta energy: 2.500 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: 1, replica: 2 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2176.988776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.988776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.988776 (E_RNA) where: Base-Base interactions energy: -1508.224 where: short stacking energy: -637.959 Base-Backbone interact. energy: 0.981 local terms energy: -669.746108 where: bonds (distance) C4'-P energy: -116.305 bonds (distance) P-C4' energy: -130.098 flat angles C4'-P-C4' energy: -146.877 flat angles P-C4'-P energy: -91.209 tors. eta vs tors. theta energy: -185.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2095.577717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.577717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.577717 (E_RNA) where: Base-Base interactions energy: -1464.755 where: short stacking energy: -628.383 Base-Backbone interact. energy: -0.794 local terms energy: -630.029240 where: bonds (distance) C4'-P energy: -99.505 bonds (distance) P-C4' energy: -123.456 flat angles C4'-P-C4' energy: -146.271 flat angles P-C4'-P energy: -84.966 tors. eta vs tors. theta energy: -175.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2010.176619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.176619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.176619 (E_RNA) where: Base-Base interactions energy: -1398.397 where: short stacking energy: -598.543 Base-Backbone interact. energy: -3.838 local terms energy: -607.941133 where: bonds (distance) C4'-P energy: -119.115 bonds (distance) P-C4' energy: -118.328 flat angles C4'-P-C4' energy: -128.137 flat angles P-C4'-P energy: -80.203 tors. eta vs tors. theta energy: -162.157 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: 7 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1833.703168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.703168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.703168 (E_RNA) where: Base-Base interactions energy: -1274.354 where: short stacking energy: -511.527 Base-Backbone interact. energy: -3.198 local terms energy: -556.151003 where: bonds (distance) C4'-P energy: -104.346 bonds (distance) P-C4' energy: -108.002 flat angles C4'-P-C4' energy: -137.188 flat angles P-C4'-P energy: -79.754 tors. eta vs tors. theta energy: -126.861 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: 8 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1785.436990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.436990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.436990 (E_RNA) where: Base-Base interactions energy: -1221.980 where: short stacking energy: -547.795 Base-Backbone interact. energy: -1.954 local terms energy: -561.503171 where: bonds (distance) C4'-P energy: -99.805 bonds (distance) P-C4' energy: -100.953 flat angles C4'-P-C4' energy: -128.898 flat angles P-C4'-P energy: -74.726 tors. eta vs tors. theta energy: -157.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1695.073285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.073285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.073285 (E_RNA) where: Base-Base interactions energy: -1125.068 where: short stacking energy: -500.566 Base-Backbone interact. energy: -2.923 local terms energy: -567.082622 where: bonds (distance) C4'-P energy: -113.455 bonds (distance) P-C4' energy: -119.779 flat angles C4'-P-C4' energy: -124.065 flat angles P-C4'-P energy: -82.088 tors. eta vs tors. theta energy: -127.696 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: 9 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1487.016377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.016377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.016377 (E_RNA) where: Base-Base interactions energy: -988.225 where: short stacking energy: -443.866 Base-Backbone interact. energy: -1.283 local terms energy: -497.507939 where: bonds (distance) C4'-P energy: -96.341 bonds (distance) P-C4' energy: -102.502 flat angles C4'-P-C4' energy: -113.867 flat angles P-C4'-P energy: -74.036 tors. eta vs tors. theta energy: -110.762 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: 10 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1186.074685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.074685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.074685 (E_RNA) where: Base-Base interactions energy: -740.767 where: short stacking energy: -343.694 Base-Backbone interact. energy: 3.888 local terms energy: -449.195591 where: bonds (distance) C4'-P energy: -95.880 bonds (distance) P-C4' energy: -100.240 flat angles C4'-P-C4' energy: -106.864 flat angles P-C4'-P energy: -68.007 tors. eta vs tors. theta energy: -78.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -859.379999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.379999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.379999 (E_RNA) where: Base-Base interactions energy: -474.878 where: short stacking energy: -258.507 Base-Backbone interact. energy: -1.127 local terms energy: -383.374860 where: bonds (distance) C4'-P energy: -91.231 bonds (distance) P-C4' energy: -101.263 flat angles C4'-P-C4' energy: -107.507 flat angles P-C4'-P energy: -51.237 tors. eta vs tors. theta energy: -32.136 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: 4 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -534.113801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.113801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.113801 (E_RNA) where: Base-Base interactions energy: -215.299 where: short stacking energy: -159.404 Base-Backbone interact. energy: 9.063 local terms energy: -327.877517 where: bonds (distance) C4'-P energy: -94.432 bonds (distance) P-C4' energy: -103.146 flat angles C4'-P-C4' energy: -89.183 flat angles P-C4'-P energy: -52.628 tors. eta vs tors. theta energy: 11.512 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: 158 Temperature: 0.900000 Total energy: -2201.291611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.291611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.291611 (E_RNA) where: Base-Base interactions energy: -1523.453 where: short stacking energy: -650.957 Base-Backbone interact. energy: -1.689 local terms energy: -676.149385 where: bonds (distance) C4'-P energy: -133.890 bonds (distance) P-C4' energy: -126.185 flat angles C4'-P-C4' energy: -137.412 flat angles P-C4'-P energy: -89.233 tors. eta vs tors. theta energy: -189.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2084.091900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.091900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.091900 (E_RNA) where: Base-Base interactions energy: -1432.829 where: short stacking energy: -636.698 Base-Backbone interact. energy: -2.241 local terms energy: -649.022023 where: bonds (distance) C4'-P energy: -116.411 bonds (distance) P-C4' energy: -124.167 flat angles C4'-P-C4' energy: -142.223 flat angles P-C4'-P energy: -83.921 tors. eta vs tors. theta energy: -182.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1994.470565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.470565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.470565 (E_RNA) where: Base-Base interactions energy: -1400.351 where: short stacking energy: -584.737 Base-Backbone interact. energy: -5.058 local terms energy: -589.061167 where: bonds (distance) C4'-P energy: -104.280 bonds (distance) P-C4' energy: -107.743 flat angles C4'-P-C4' energy: -128.435 flat angles P-C4'-P energy: -80.677 tors. eta vs tors. theta energy: -167.926 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: 4, replica: 7 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1816.134011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.134011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.134011 (E_RNA) where: Base-Base interactions energy: -1244.760 where: short stacking energy: -549.435 Base-Backbone interact. energy: -4.573 local terms energy: -566.800752 where: bonds (distance) C4'-P energy: -113.105 bonds (distance) P-C4' energy: -109.696 flat angles C4'-P-C4' energy: -126.758 flat angles P-C4'-P energy: -79.306 tors. eta vs tors. theta energy: -137.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1708.777788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.777788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.777788 (E_RNA) where: Base-Base interactions energy: -1184.260 where: short stacking energy: -534.944 Base-Backbone interact. energy: -2.668 local terms energy: -521.849504 where: bonds (distance) C4'-P energy: -88.172 bonds (distance) P-C4' energy: -93.825 flat angles C4'-P-C4' energy: -121.233 flat angles P-C4'-P energy: -75.013 tors. eta vs tors. theta energy: -143.606 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: 8 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1739.771937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.771937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.771937 (E_RNA) where: Base-Base interactions energy: -1173.016 where: short stacking energy: -552.997 Base-Backbone interact. energy: -1.681 local terms energy: -565.075628 where: bonds (distance) C4'-P energy: -102.250 bonds (distance) P-C4' energy: -96.353 flat angles C4'-P-C4' energy: -126.031 flat angles P-C4'-P energy: -79.739 tors. eta vs tors. theta energy: -160.703 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: 9 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1494.215081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.215081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.215081 (E_RNA) where: Base-Base interactions energy: -1002.577 where: short stacking energy: -429.095 Base-Backbone interact. energy: 2.341 local terms energy: -493.979613 where: bonds (distance) C4'-P energy: -80.059 bonds (distance) P-C4' energy: -115.277 flat angles C4'-P-C4' energy: -110.658 flat angles P-C4'-P energy: -69.112 tors. eta vs tors. theta energy: -118.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1175.537091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.537091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.537091 (E_RNA) where: Base-Base interactions energy: -719.569 where: short stacking energy: -327.871 Base-Backbone interact. energy: -1.257 local terms energy: -454.710495 where: bonds (distance) C4'-P energy: -79.245 bonds (distance) P-C4' energy: -120.397 flat angles C4'-P-C4' energy: -105.852 flat angles P-C4'-P energy: -73.507 tors. eta vs tors. theta energy: -75.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -816.668302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.668302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.668302 (E_RNA) where: Base-Base interactions energy: -427.558 where: short stacking energy: -212.222 Base-Backbone interact. energy: 1.397 local terms energy: -390.507517 where: bonds (distance) C4'-P energy: -120.218 bonds (distance) P-C4' energy: -120.134 flat angles C4'-P-C4' energy: -101.495 flat angles P-C4'-P energy: -50.256 tors. eta vs tors. theta energy: 1.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -513.232063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.232063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.232063 (E_RNA) where: Base-Base interactions energy: -198.099 where: short stacking energy: -145.313 Base-Backbone interact. energy: -1.147 local terms energy: -313.985724 where: bonds (distance) C4'-P energy: -88.410 bonds (distance) P-C4' energy: -119.933 flat angles C4'-P-C4' energy: -76.599 flat angles P-C4'-P energy: -58.137 tors. eta vs tors. theta energy: 29.093 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: 1, replica: 2 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2189.368990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.368990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.368990 (E_RNA) where: Base-Base interactions energy: -1530.858 where: short stacking energy: -651.343 Base-Backbone interact. energy: -1.215 local terms energy: -657.295514 where: bonds (distance) C4'-P energy: -118.529 bonds (distance) P-C4' energy: -126.703 flat angles C4'-P-C4' energy: -138.646 flat angles P-C4'-P energy: -89.202 tors. eta vs tors. theta energy: -184.216 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: 2, replica: 3 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2091.490753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.490753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.490753 (E_RNA) where: Base-Base interactions energy: -1468.688 where: short stacking energy: -630.105 Base-Backbone interact. energy: -0.130 local terms energy: -622.672465 where: bonds (distance) C4'-P energy: -112.505 bonds (distance) P-C4' energy: -109.959 flat angles C4'-P-C4' energy: -134.736 flat angles P-C4'-P energy: -84.228 tors. eta vs tors. theta energy: -181.245 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: 5 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2019.522678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.522678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.522678 (E_RNA) where: Base-Base interactions energy: -1417.336 where: short stacking energy: -610.849 Base-Backbone interact. energy: -2.457 local terms energy: -599.729320 where: bonds (distance) C4'-P energy: -105.522 bonds (distance) P-C4' energy: -109.801 flat angles C4'-P-C4' energy: -142.884 flat angles P-C4'-P energy: -77.787 tors. eta vs tors. theta energy: -163.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1865.661670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.661670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.661670 (E_RNA) where: Base-Base interactions energy: -1305.842 where: short stacking energy: -548.954 Base-Backbone interact. energy: -6.098 local terms energy: -553.721053 where: bonds (distance) C4'-P energy: -113.427 bonds (distance) P-C4' energy: -91.369 flat angles C4'-P-C4' energy: -116.980 flat angles P-C4'-P energy: -78.238 tors. eta vs tors. theta energy: -153.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1816.532497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.532497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.532497 (E_RNA) where: Base-Base interactions energy: -1227.768 where: short stacking energy: -551.842 Base-Backbone interact. energy: 0.541 local terms energy: -589.305697 where: bonds (distance) C4'-P energy: -105.557 bonds (distance) P-C4' energy: -111.786 flat angles C4'-P-C4' energy: -130.550 flat angles P-C4'-P energy: -82.861 tors. eta vs tors. theta energy: -158.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1716.545588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.545588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.545588 (E_RNA) where: Base-Base interactions energy: -1140.952 where: short stacking energy: -529.932 Base-Backbone interact. energy: -0.173 local terms energy: -575.420405 where: bonds (distance) C4'-P energy: -100.688 bonds (distance) P-C4' energy: -116.232 flat angles C4'-P-C4' energy: -128.177 flat angles P-C4'-P energy: -89.935 tors. eta vs tors. theta energy: -140.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1531.326887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.326887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.326887 (E_RNA) where: Base-Base interactions energy: -1012.232 where: short stacking energy: -432.918 Base-Backbone interact. energy: -2.954 local terms energy: -516.140996 where: bonds (distance) C4'-P energy: -116.363 bonds (distance) P-C4' energy: -101.605 flat angles C4'-P-C4' energy: -110.160 flat angles P-C4'-P energy: -71.765 tors. eta vs tors. theta energy: -116.248 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: 10 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1170.314926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.314926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.314926 (E_RNA) where: Base-Base interactions energy: -759.683 where: short stacking energy: -330.329 Base-Backbone interact. energy: -1.124 local terms energy: -409.507780 where: bonds (distance) C4'-P energy: -81.649 bonds (distance) P-C4' energy: -109.784 flat angles C4'-P-C4' energy: -95.393 flat angles P-C4'-P energy: -62.447 tors. eta vs tors. theta energy: -60.235 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: 1 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -842.023157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.023157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.023157 (E_RNA) where: Base-Base interactions energy: -464.941 where: short stacking energy: -259.599 Base-Backbone interact. energy: -1.610 local terms energy: -375.472450 where: bonds (distance) C4'-P energy: -106.223 bonds (distance) P-C4' energy: -86.662 flat angles C4'-P-C4' energy: -86.908 flat angles P-C4'-P energy: -67.116 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: 10, replica: 4 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -480.494223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.494223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.494223 (E_RNA) where: Base-Base interactions energy: -170.355 where: short stacking energy: -151.392 Base-Backbone interact. energy: 2.530 local terms energy: -312.669290 where: bonds (distance) C4'-P energy: -91.900 bonds (distance) P-C4' energy: -111.030 flat angles C4'-P-C4' energy: -71.648 flat angles P-C4'-P energy: -56.594 tors. eta vs tors. theta energy: 18.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2189.246402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.246402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.246402 (E_RNA) where: Base-Base interactions energy: -1532.845 where: short stacking energy: -666.820 Base-Backbone interact. energy: -2.824 local terms energy: -653.577234 where: bonds (distance) C4'-P energy: -114.769 bonds (distance) P-C4' energy: -119.860 flat angles C4'-P-C4' energy: -142.463 flat angles P-C4'-P energy: -91.101 tors. eta vs tors. theta energy: -185.385 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: 2, replica: 3 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2077.980350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.980350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.980350 (E_RNA) where: Base-Base interactions energy: -1451.286 where: short stacking energy: -608.054 Base-Backbone interact. energy: -5.811 local terms energy: -620.883629 where: bonds (distance) C4'-P energy: -113.477 bonds (distance) P-C4' energy: -120.394 flat angles C4'-P-C4' energy: -127.622 flat angles P-C4'-P energy: -86.845 tors. eta vs tors. theta energy: -172.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2018.211320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.211320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.211320 (E_RNA) where: Base-Base interactions energy: -1407.454 where: short stacking energy: -587.249 Base-Backbone interact. energy: -3.652 local terms energy: -607.105147 where: bonds (distance) C4'-P energy: -104.500 bonds (distance) P-C4' energy: -120.574 flat angles C4'-P-C4' energy: -135.416 flat angles P-C4'-P energy: -85.364 tors. eta vs tors. theta energy: -161.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1867.938383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.938383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.938383 (E_RNA) where: Base-Base interactions energy: -1282.343 where: short stacking energy: -567.828 Base-Backbone interact. energy: 0.898 local terms energy: -586.493474 where: bonds (distance) C4'-P energy: -116.745 bonds (distance) P-C4' energy: -118.945 flat angles C4'-P-C4' energy: -125.797 flat angles P-C4'-P energy: -77.875 tors. eta vs tors. theta energy: -147.131 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: 5, replica: 8 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1751.364906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.364906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.364906 (E_RNA) where: Base-Base interactions energy: -1175.420 where: short stacking energy: -521.665 Base-Backbone interact. energy: -2.125 local terms energy: -573.819711 where: bonds (distance) C4'-P energy: -114.589 bonds (distance) P-C4' energy: -110.854 flat angles C4'-P-C4' energy: -129.199 flat angles P-C4'-P energy: -77.486 tors. eta vs tors. theta energy: -141.691 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: 6 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1693.362264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.362264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.362264 (E_RNA) where: Base-Base interactions energy: -1156.512 where: short stacking energy: -499.954 Base-Backbone interact. energy: -1.641 local terms energy: -535.209142 where: bonds (distance) C4'-P energy: -92.911 bonds (distance) P-C4' energy: -116.942 flat angles C4'-P-C4' energy: -113.219 flat angles P-C4'-P energy: -79.691 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: 7, replica: 9 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1491.833016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.833016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.833016 (E_RNA) where: Base-Base interactions energy: -967.558 where: short stacking energy: -444.074 Base-Backbone interact. energy: -2.344 local terms energy: -521.931652 where: bonds (distance) C4'-P energy: -105.498 bonds (distance) P-C4' energy: -119.213 flat angles C4'-P-C4' energy: -127.960 flat angles P-C4'-P energy: -67.625 tors. eta vs tors. theta energy: -101.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1177.095656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.095656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.095656 (E_RNA) where: Base-Base interactions energy: -737.238 where: short stacking energy: -328.752 Base-Backbone interact. energy: -2.930 local terms energy: -436.928558 where: bonds (distance) C4'-P energy: -100.186 bonds (distance) P-C4' energy: -107.597 flat angles C4'-P-C4' energy: -99.447 flat angles P-C4'-P energy: -67.055 tors. eta vs tors. theta energy: -62.643 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: 1 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -904.123480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.123480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.123480 (E_RNA) where: Base-Base interactions energy: -527.189 where: short stacking energy: -279.067 Base-Backbone interact. energy: 3.011 local terms energy: -379.945515 where: bonds (distance) C4'-P energy: -95.673 bonds (distance) P-C4' energy: -101.926 flat angles C4'-P-C4' energy: -91.467 flat angles P-C4'-P energy: -70.026 tors. eta vs tors. theta energy: -20.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -488.090985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.090985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.090985 (E_RNA) where: Base-Base interactions energy: -171.370 where: short stacking energy: -162.569 Base-Backbone interact. energy: -2.132 local terms energy: -314.589508 where: bonds (distance) C4'-P energy: -101.476 bonds (distance) P-C4' energy: -110.577 flat angles C4'-P-C4' energy: -58.404 flat angles P-C4'-P energy: -52.611 tors. eta vs tors. theta energy: 8.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2204.339261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.339261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.339261 (E_RNA) where: Base-Base interactions energy: -1529.546 where: short stacking energy: -629.208 Base-Backbone interact. energy: -1.780 local terms energy: -673.013776 where: bonds (distance) C4'-P energy: -121.315 bonds (distance) P-C4' energy: -129.743 flat angles C4'-P-C4' energy: -146.017 flat angles P-C4'-P energy: -94.151 tors. eta vs tors. theta energy: -181.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2104.275878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.275878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.275878 (E_RNA) where: Base-Base interactions energy: -1446.461 where: short stacking energy: -640.655 Base-Backbone interact. energy: -6.222 local terms energy: -651.593517 where: bonds (distance) C4'-P energy: -121.943 bonds (distance) P-C4' energy: -118.918 flat angles C4'-P-C4' energy: -135.934 flat angles P-C4'-P energy: -90.024 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: 3, replica: 5 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2011.378945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.378945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.378945 (E_RNA) where: Base-Base interactions energy: -1385.531 where: short stacking energy: -578.859 Base-Backbone interact. energy: -2.144 local terms energy: -623.704228 where: bonds (distance) C4'-P energy: -113.713 bonds (distance) P-C4' energy: -118.480 flat angles C4'-P-C4' energy: -134.584 flat angles P-C4'-P energy: -87.482 tors. eta vs tors. theta energy: -169.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1885.507377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.507377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.507377 (E_RNA) where: Base-Base interactions energy: -1303.941 where: short stacking energy: -522.548 Base-Backbone interact. energy: 0.870 local terms energy: -582.436028 where: bonds (distance) C4'-P energy: -87.654 bonds (distance) P-C4' energy: -132.932 flat angles C4'-P-C4' energy: -128.741 flat angles P-C4'-P energy: -85.174 tors. eta vs tors. theta energy: -147.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1764.874209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.874209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.874209 (E_RNA) where: Base-Base interactions energy: -1207.979 where: short stacking energy: -533.744 Base-Backbone interact. energy: 0.582 local terms energy: -557.477458 where: bonds (distance) C4'-P energy: -115.728 bonds (distance) P-C4' energy: -117.930 flat angles C4'-P-C4' energy: -118.770 flat angles P-C4'-P energy: -63.599 tors. eta vs tors. theta energy: -141.451 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: 6, replica: 6 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1670.248729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.248729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.248729 (E_RNA) where: Base-Base interactions energy: -1115.146 where: short stacking energy: -482.076 Base-Backbone interact. energy: -1.083 local terms energy: -554.019291 where: bonds (distance) C4'-P energy: -98.051 bonds (distance) P-C4' energy: -113.076 flat angles C4'-P-C4' energy: -122.582 flat angles P-C4'-P energy: -82.785 tors. eta vs tors. theta energy: -137.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1546.514789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.514789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.514789 (E_RNA) where: Base-Base interactions energy: -1036.046 where: short stacking energy: -464.862 Base-Backbone interact. energy: 3.629 local terms energy: -514.097686 where: bonds (distance) C4'-P energy: -106.532 bonds (distance) P-C4' energy: -98.821 flat angles C4'-P-C4' energy: -102.854 flat angles P-C4'-P energy: -75.712 tors. eta vs tors. theta energy: -130.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1202.372063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.372063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.372063 (E_RNA) where: Base-Base interactions energy: -776.158 where: short stacking energy: -374.869 Base-Backbone interact. energy: -4.456 local terms energy: -421.757478 where: bonds (distance) C4'-P energy: -103.880 bonds (distance) P-C4' energy: -104.913 flat angles C4'-P-C4' energy: -89.967 flat angles P-C4'-P energy: -50.121 tors. eta vs tors. theta energy: -72.876 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: 1 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -831.093814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.093814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.093814 (E_RNA) where: Base-Base interactions energy: -463.576 where: short stacking energy: -242.309 Base-Backbone interact. energy: 2.126 local terms energy: -369.644033 where: bonds (distance) C4'-P energy: -100.436 bonds (distance) P-C4' energy: -104.509 flat angles C4'-P-C4' energy: -89.875 flat angles P-C4'-P energy: -49.189 tors. eta vs tors. theta energy: -25.635 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: 4 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -578.635371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.635371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.635371 (E_RNA) where: Base-Base interactions energy: -273.814 where: short stacking energy: -161.484 Base-Backbone interact. energy: -2.033 local terms energy: -302.788513 where: bonds (distance) C4'-P energy: -67.953 bonds (distance) P-C4' energy: -106.110 flat angles C4'-P-C4' energy: -82.721 flat angles P-C4'-P energy: -48.647 tors. eta vs tors. theta energy: 2.642 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: 2 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2205.755896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.755896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.755896 (E_RNA) where: Base-Base interactions energy: -1547.683 where: short stacking energy: -654.896 Base-Backbone interact. energy: -1.787 local terms energy: -656.286209 where: bonds (distance) C4'-P energy: -118.259 bonds (distance) P-C4' energy: -121.802 flat angles C4'-P-C4' energy: -140.756 flat angles P-C4'-P energy: -92.573 tors. eta vs tors. theta energy: -182.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2103.259173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.259173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.259173 (E_RNA) where: Base-Base interactions energy: -1442.563 where: short stacking energy: -624.595 Base-Backbone interact. energy: -4.589 local terms energy: -656.107077 where: bonds (distance) C4'-P energy: -117.958 bonds (distance) P-C4' energy: -125.043 flat angles C4'-P-C4' energy: -137.316 flat angles P-C4'-P energy: -91.318 tors. eta vs tors. theta energy: -184.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2017.497366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.497366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.497366 (E_RNA) where: Base-Base interactions energy: -1394.507 where: short stacking energy: -578.574 Base-Backbone interact. energy: -1.111 local terms energy: -621.879408 where: bonds (distance) C4'-P energy: -125.435 bonds (distance) P-C4' energy: -121.157 flat angles C4'-P-C4' energy: -133.048 flat angles P-C4'-P energy: -75.967 tors. eta vs tors. theta energy: -166.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1872.614498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.614498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.614498 (E_RNA) where: Base-Base interactions energy: -1286.713 where: short stacking energy: -529.398 Base-Backbone interact. energy: -1.510 local terms energy: -584.391396 where: bonds (distance) C4'-P energy: -93.988 bonds (distance) P-C4' energy: -125.569 flat angles C4'-P-C4' energy: -126.199 flat angles P-C4'-P energy: -85.543 tors. eta vs tors. theta energy: -153.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1777.736710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.736710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.736710 (E_RNA) where: Base-Base interactions energy: -1208.545 where: short stacking energy: -542.948 Base-Backbone interact. energy: -1.872 local terms energy: -567.319594 where: bonds (distance) C4'-P energy: -110.610 bonds (distance) P-C4' energy: -103.238 flat angles C4'-P-C4' energy: -119.525 flat angles P-C4'-P energy: -85.374 tors. eta vs tors. theta energy: -148.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1700.636858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.636858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.636858 (E_RNA) where: Base-Base interactions energy: -1189.832 where: short stacking energy: -529.992 Base-Backbone interact. energy: 1.372 local terms energy: -512.177398 where: bonds (distance) C4'-P energy: -93.348 bonds (distance) P-C4' energy: -90.121 flat angles C4'-P-C4' energy: -125.715 flat angles P-C4'-P energy: -72.968 tors. eta vs tors. theta energy: -130.026 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: 7, replica: 9 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1511.551379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.551379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.551379 (E_RNA) where: Base-Base interactions energy: -1018.659 where: short stacking energy: -462.327 Base-Backbone interact. energy: -1.019 local terms energy: -491.873475 where: bonds (distance) C4'-P energy: -90.843 bonds (distance) P-C4' energy: -93.491 flat angles C4'-P-C4' energy: -110.592 flat angles P-C4'-P energy: -74.479 tors. eta vs tors. theta energy: -122.469 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: 10 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1227.034389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.034389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.034389 (E_RNA) where: Base-Base interactions energy: -783.023 where: short stacking energy: -363.415 Base-Backbone interact. energy: -1.723 local terms energy: -442.288515 where: bonds (distance) C4'-P energy: -95.133 bonds (distance) P-C4' energy: -109.655 flat angles C4'-P-C4' energy: -113.920 flat angles P-C4'-P energy: -55.052 tors. eta vs tors. theta energy: -68.529 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: 1 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -882.370024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.370024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.370024 (E_RNA) where: Base-Base interactions energy: -494.567 where: short stacking energy: -273.277 Base-Backbone interact. energy: 0.436 local terms energy: -388.239503 where: bonds (distance) C4'-P energy: -93.625 bonds (distance) P-C4' energy: -97.343 flat angles C4'-P-C4' energy: -109.821 flat angles P-C4'-P energy: -42.748 tors. eta vs tors. theta energy: -44.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -601.167473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.167473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.167473 (E_RNA) where: Base-Base interactions energy: -288.268 where: short stacking energy: -198.667 Base-Backbone interact. energy: 3.900 local terms energy: -316.799529 where: bonds (distance) C4'-P energy: -89.142 bonds (distance) P-C4' energy: -93.142 flat angles C4'-P-C4' energy: -73.307 flat angles P-C4'-P energy: -48.226 tors. eta vs tors. theta energy: -12.983 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: 2 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2173.327629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.327629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.327629 (E_RNA) where: Base-Base interactions energy: -1509.872 where: short stacking energy: -668.130 Base-Backbone interact. energy: -4.429 local terms energy: -659.026371 where: bonds (distance) C4'-P energy: -120.280 bonds (distance) P-C4' energy: -120.375 flat angles C4'-P-C4' energy: -139.400 flat angles P-C4'-P energy: -86.406 tors. eta vs tors. theta energy: -192.565 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: 3 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2061.739069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.739069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.739069 (E_RNA) where: Base-Base interactions energy: -1407.857 where: short stacking energy: -612.710 Base-Backbone interact. energy: -2.064 local terms energy: -651.817653 where: bonds (distance) C4'-P energy: -128.194 bonds (distance) P-C4' energy: -121.294 flat angles C4'-P-C4' energy: -134.974 flat angles P-C4'-P energy: -87.418 tors. eta vs tors. theta energy: -179.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2002.248157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.248157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.248157 (E_RNA) where: Base-Base interactions energy: -1377.872 where: short stacking energy: -581.753 Base-Backbone interact. energy: -3.943 local terms energy: -620.433565 where: bonds (distance) C4'-P energy: -116.340 bonds (distance) P-C4' energy: -108.683 flat angles C4'-P-C4' energy: -137.287 flat angles P-C4'-P energy: -90.999 tors. eta vs tors. theta energy: -167.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1855.466656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.466656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.466656 (E_RNA) where: Base-Base interactions energy: -1293.670 where: short stacking energy: -529.428 Base-Backbone interact. energy: 2.868 local terms energy: -564.663964 where: bonds (distance) C4'-P energy: -97.662 bonds (distance) P-C4' energy: -118.710 flat angles C4'-P-C4' energy: -119.484 flat angles P-C4'-P energy: -80.326 tors. eta vs tors. theta energy: -148.483 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: 5, replica: 6 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1803.075768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.075768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.075768 (E_RNA) where: Base-Base interactions energy: -1218.729 where: short stacking energy: -546.097 Base-Backbone interact. energy: 1.909 local terms energy: -586.256121 where: bonds (distance) C4'-P energy: -109.367 bonds (distance) P-C4' energy: -119.197 flat angles C4'-P-C4' energy: -124.354 flat angles P-C4'-P energy: -71.599 tors. eta vs tors. theta energy: -161.740 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: 6, replica: 8 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1660.987856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.987856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.987856 (E_RNA) where: Base-Base interactions energy: -1111.808 where: short stacking energy: -475.779 Base-Backbone interact. energy: 2.202 local terms energy: -551.382612 where: bonds (distance) C4'-P energy: -116.287 bonds (distance) P-C4' energy: -111.209 flat angles C4'-P-C4' energy: -113.364 flat angles P-C4'-P energy: -83.636 tors. eta vs tors. theta energy: -126.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1510.898531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.898531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.898531 (E_RNA) where: Base-Base interactions energy: -987.169 where: short stacking energy: -460.806 Base-Backbone interact. energy: 0.567 local terms energy: -524.296392 where: bonds (distance) C4'-P energy: -105.519 bonds (distance) P-C4' energy: -98.999 flat angles C4'-P-C4' energy: -115.581 flat angles P-C4'-P energy: -79.006 tors. eta vs tors. theta energy: -125.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1190.489479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.489479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.489479 (E_RNA) where: Base-Base interactions energy: -742.364 where: short stacking energy: -341.508 Base-Backbone interact. energy: 1.034 local terms energy: -449.158695 where: bonds (distance) C4'-P energy: -95.029 bonds (distance) P-C4' energy: -113.415 flat angles C4'-P-C4' energy: -122.701 flat angles P-C4'-P energy: -54.709 tors. eta vs tors. theta energy: -63.306 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: 9, replica: 1 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -878.347132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.347132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.347132 (E_RNA) where: Base-Base interactions energy: -541.377 where: short stacking energy: -249.437 Base-Backbone interact. energy: -0.738 local terms energy: -336.232213 where: bonds (distance) C4'-P energy: -93.066 bonds (distance) P-C4' energy: -100.807 flat angles C4'-P-C4' energy: -90.507 flat angles P-C4'-P energy: -44.941 tors. eta vs tors. theta energy: -6.911 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: 4 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -543.230638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.230638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.230638 (E_RNA) where: Base-Base interactions energy: -197.266 where: short stacking energy: -143.820 Base-Backbone interact. energy: -1.256 local terms energy: -344.708810 where: bonds (distance) C4'-P energy: -107.652 bonds (distance) P-C4' energy: -112.495 flat angles C4'-P-C4' energy: -84.242 flat angles P-C4'-P energy: -51.901 tors. eta vs tors. theta energy: 11.580 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: 164 Temperature: 0.900000 Total energy: -2210.639505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.639505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.639505 (E_RNA) where: Base-Base interactions energy: -1552.061 where: short stacking energy: -672.760 Base-Backbone interact. energy: 2.117 local terms energy: -660.695528 where: bonds (distance) C4'-P energy: -98.654 bonds (distance) P-C4' energy: -137.179 flat angles C4'-P-C4' energy: -147.541 flat angles P-C4'-P energy: -89.453 tors. eta vs tors. theta energy: -187.869 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: 3 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2095.058357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.058357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.058357 (E_RNA) where: Base-Base interactions energy: -1421.523 where: short stacking energy: -637.830 Base-Backbone interact. energy: -1.655 local terms energy: -671.880871 where: bonds (distance) C4'-P energy: -132.925 bonds (distance) P-C4' energy: -122.234 flat angles C4'-P-C4' energy: -145.064 flat angles P-C4'-P energy: -94.720 tors. eta vs tors. theta energy: -176.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1982.127415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.127415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.127415 (E_RNA) where: Base-Base interactions energy: -1395.326 where: short stacking energy: -572.791 Base-Backbone interact. energy: 5.608 local terms energy: -592.409437 where: bonds (distance) C4'-P energy: -110.825 bonds (distance) P-C4' energy: -103.665 flat angles C4'-P-C4' energy: -149.400 flat angles P-C4'-P energy: -73.989 tors. eta vs tors. theta energy: -154.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1815.925176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.925176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.925176 (E_RNA) where: Base-Base interactions energy: -1249.985 where: short stacking energy: -544.501 Base-Backbone interact. energy: -1.461 local terms energy: -564.479160 where: bonds (distance) C4'-P energy: -111.503 bonds (distance) P-C4' energy: -115.999 flat angles C4'-P-C4' energy: -122.468 flat angles P-C4'-P energy: -85.851 tors. eta vs tors. theta energy: -128.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1780.174768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.174768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.174768 (E_RNA) where: Base-Base interactions energy: -1201.207 where: short stacking energy: -527.803 Base-Backbone interact. energy: -0.738 local terms energy: -578.229661 where: bonds (distance) C4'-P energy: -118.857 bonds (distance) P-C4' energy: -118.686 flat angles C4'-P-C4' energy: -116.793 flat angles P-C4'-P energy: -80.965 tors. eta vs tors. theta energy: -142.929 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: 8 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1673.554891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.554891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.554891 (E_RNA) where: Base-Base interactions energy: -1108.064 where: short stacking energy: -471.228 Base-Backbone interact. energy: -1.898 local terms energy: -563.592589 where: bonds (distance) C4'-P energy: -118.881 bonds (distance) P-C4' energy: -111.327 flat angles C4'-P-C4' energy: -121.854 flat angles P-C4'-P energy: -81.676 tors. eta vs tors. theta energy: -129.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1548.653428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.653428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.653428 (E_RNA) where: Base-Base interactions energy: -1048.886 where: short stacking energy: -454.990 Base-Backbone interact. energy: 0.191 local terms energy: -499.957804 where: bonds (distance) C4'-P energy: -95.397 bonds (distance) P-C4' energy: -109.431 flat angles C4'-P-C4' energy: -121.273 flat angles P-C4'-P energy: -66.087 tors. eta vs tors. theta energy: -107.769 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: 8, replica: 10 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1208.965827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.965827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.965827 (E_RNA) where: Base-Base interactions energy: -779.480 where: short stacking energy: -370.844 Base-Backbone interact. energy: -1.158 local terms energy: -428.328501 where: bonds (distance) C4'-P energy: -81.856 bonds (distance) P-C4' energy: -102.161 flat angles C4'-P-C4' energy: -112.955 flat angles P-C4'-P energy: -61.950 tors. eta vs tors. theta energy: -69.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -859.475296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.475296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.475296 (E_RNA) where: Base-Base interactions energy: -475.271 where: short stacking energy: -259.274 Base-Backbone interact. energy: 3.338 local terms energy: -387.542436 where: bonds (distance) C4'-P energy: -91.250 bonds (distance) P-C4' energy: -100.172 flat angles C4'-P-C4' energy: -109.693 flat angles P-C4'-P energy: -55.964 tors. eta vs tors. theta energy: -30.464 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: 4 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -478.107283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.107283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.107283 (E_RNA) where: Base-Base interactions energy: -169.887 where: short stacking energy: -140.635 Base-Backbone interact. energy: 2.080 local terms energy: -310.300925 where: bonds (distance) C4'-P energy: -86.191 bonds (distance) P-C4' energy: -115.537 flat angles C4'-P-C4' energy: -88.082 flat angles P-C4'-P energy: -42.655 tors. eta vs tors. theta energy: 22.164 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: 1, replica: 2 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2183.440303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.440303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.440303 (E_RNA) where: Base-Base interactions energy: -1529.592 where: short stacking energy: -630.555 Base-Backbone interact. energy: -1.683 local terms energy: -652.165324 where: bonds (distance) C4'-P energy: -111.602 bonds (distance) P-C4' energy: -135.075 flat angles C4'-P-C4' energy: -141.251 flat angles P-C4'-P energy: -90.589 tors. eta vs tors. theta energy: -173.648 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: 3 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2101.841664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.841664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.841664 (E_RNA) where: Base-Base interactions energy: -1450.600 where: short stacking energy: -640.064 Base-Backbone interact. energy: -1.894 local terms energy: -649.348364 where: bonds (distance) C4'-P energy: -121.042 bonds (distance) P-C4' energy: -126.067 flat angles C4'-P-C4' energy: -139.166 flat angles P-C4'-P energy: -79.872 tors. eta vs tors. theta energy: -183.202 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: 3, replica: 5 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1982.946518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.946518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.946518 (E_RNA) where: Base-Base interactions energy: -1406.213 where: short stacking energy: -555.583 Base-Backbone interact. energy: 4.798 local terms energy: -581.531244 where: bonds (distance) C4'-P energy: -105.596 bonds (distance) P-C4' energy: -114.116 flat angles C4'-P-C4' energy: -129.699 flat angles P-C4'-P energy: -73.712 tors. eta vs tors. theta energy: -158.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1856.034628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.034628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.034628 (E_RNA) where: Base-Base interactions energy: -1269.116 where: short stacking energy: -558.981 Base-Backbone interact. energy: -1.244 local terms energy: -585.674751 where: bonds (distance) C4'-P energy: -113.045 bonds (distance) P-C4' energy: -109.830 flat angles C4'-P-C4' energy: -133.763 flat angles P-C4'-P energy: -76.195 tors. eta vs tors. theta energy: -152.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1787.798871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.798871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.798871 (E_RNA) where: Base-Base interactions energy: -1211.085 where: short stacking energy: -544.209 Base-Backbone interact. energy: -1.220 local terms energy: -575.494256 where: bonds (distance) C4'-P energy: -119.661 bonds (distance) P-C4' energy: -110.834 flat angles C4'-P-C4' energy: -116.232 flat angles P-C4'-P energy: -84.918 tors. eta vs tors. theta energy: -143.850 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: 8 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1664.805086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.805086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.805086 (E_RNA) where: Base-Base interactions energy: -1126.977 where: short stacking energy: -491.834 Base-Backbone interact. energy: -3.274 local terms energy: -534.554137 where: bonds (distance) C4'-P energy: -92.560 bonds (distance) P-C4' energy: -102.703 flat angles C4'-P-C4' energy: -123.980 flat angles P-C4'-P energy: -80.346 tors. eta vs tors. theta energy: -134.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1468.877224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.877224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.877224 (E_RNA) where: Base-Base interactions energy: -969.405 where: short stacking energy: -454.591 Base-Backbone interact. energy: 4.747 local terms energy: -504.219298 where: bonds (distance) C4'-P energy: -106.133 bonds (distance) P-C4' energy: -111.750 flat angles C4'-P-C4' energy: -106.233 flat angles P-C4'-P energy: -67.063 tors. eta vs tors. theta energy: -113.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1192.194099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.194099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.194099 (E_RNA) where: Base-Base interactions energy: -726.943 where: short stacking energy: -347.665 Base-Backbone interact. energy: -4.973 local terms energy: -460.277468 where: bonds (distance) C4'-P energy: -108.680 bonds (distance) P-C4' energy: -108.550 flat angles C4'-P-C4' energy: -101.950 flat angles P-C4'-P energy: -59.707 tors. eta vs tors. theta energy: -81.390 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: 1 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -900.887556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.887556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.887556 (E_RNA) where: Base-Base interactions energy: -501.721 where: short stacking energy: -259.883 Base-Backbone interact. energy: 1.004 local terms energy: -400.169810 where: bonds (distance) C4'-P energy: -100.776 bonds (distance) P-C4' energy: -119.746 flat angles C4'-P-C4' energy: -86.783 flat angles P-C4'-P energy: -60.998 tors. eta vs tors. theta energy: -31.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -527.273022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.273022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.273022 (E_RNA) where: Base-Base interactions energy: -218.654 where: short stacking energy: -156.054 Base-Backbone interact. energy: 4.146 local terms energy: -312.764987 where: bonds (distance) C4'-P energy: -102.276 bonds (distance) P-C4' energy: -113.726 flat angles C4'-P-C4' energy: -72.747 flat angles P-C4'-P energy: -34.383 tors. eta vs tors. theta energy: 10.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2175.895587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.895587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.895587 (E_RNA) where: Base-Base interactions energy: -1524.145 where: short stacking energy: -665.112 Base-Backbone interact. energy: -1.014 local terms energy: -650.736662 where: bonds (distance) C4'-P energy: -114.229 bonds (distance) P-C4' energy: -121.155 flat angles C4'-P-C4' energy: -133.063 flat angles P-C4'-P energy: -97.911 tors. eta vs tors. theta energy: -184.379 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: 2, replica: 3 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2114.130200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.130200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.130200 (E_RNA) where: Base-Base interactions energy: -1468.715 where: short stacking energy: -629.569 Base-Backbone interact. energy: -2.411 local terms energy: -643.003708 where: bonds (distance) C4'-P energy: -109.972 bonds (distance) P-C4' energy: -122.887 flat angles C4'-P-C4' energy: -134.544 flat angles P-C4'-P energy: -89.421 tors. eta vs tors. theta energy: -186.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2009.174785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.174785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.174785 (E_RNA) where: Base-Base interactions energy: -1413.464 where: short stacking energy: -570.440 Base-Backbone interact. energy: -2.287 local terms energy: -593.423533 where: bonds (distance) C4'-P energy: -117.747 bonds (distance) P-C4' energy: -111.159 flat angles C4'-P-C4' energy: -135.644 flat angles P-C4'-P energy: -78.591 tors. eta vs tors. theta energy: -150.282 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: 7 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1813.472531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.472531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.472531 (E_RNA) where: Base-Base interactions energy: -1222.322 where: short stacking energy: -533.375 Base-Backbone interact. energy: -0.451 local terms energy: -590.699885 where: bonds (distance) C4'-P energy: -106.528 bonds (distance) P-C4' energy: -116.802 flat angles C4'-P-C4' energy: -132.434 flat angles P-C4'-P energy: -80.666 tors. eta vs tors. theta energy: -154.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1796.692062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.692062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.692062 (E_RNA) where: Base-Base interactions energy: -1235.866 where: short stacking energy: -555.898 Base-Backbone interact. energy: -2.441 local terms energy: -558.384847 where: bonds (distance) C4'-P energy: -95.719 bonds (distance) P-C4' energy: -107.498 flat angles C4'-P-C4' energy: -124.780 flat angles P-C4'-P energy: -84.504 tors. eta vs tors. theta energy: -145.884 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: 6 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1719.127069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.127069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.127069 (E_RNA) where: Base-Base interactions energy: -1158.516 where: short stacking energy: -548.412 Base-Backbone interact. energy: 0.092 local terms energy: -560.702644 where: bonds (distance) C4'-P energy: -95.420 bonds (distance) P-C4' energy: -103.847 flat angles C4'-P-C4' energy: -123.308 flat angles P-C4'-P energy: -88.315 tors. eta vs tors. theta energy: -149.812 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: 7, replica: 9 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1520.667440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.667440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.667440 (E_RNA) where: Base-Base interactions energy: -1004.403 where: short stacking energy: -492.826 Base-Backbone interact. energy: -1.951 local terms energy: -514.313665 where: bonds (distance) C4'-P energy: -92.679 bonds (distance) P-C4' energy: -98.537 flat angles C4'-P-C4' energy: -116.851 flat angles P-C4'-P energy: -76.442 tors. eta vs tors. theta energy: -129.805 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: 8, replica: 10 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1254.087359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.087359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.087359 (E_RNA) where: Base-Base interactions energy: -780.855 where: short stacking energy: -379.538 Base-Backbone interact. energy: -2.920 local terms energy: -470.312486 where: bonds (distance) C4'-P energy: -106.750 bonds (distance) P-C4' energy: -107.148 flat angles C4'-P-C4' energy: -104.280 flat angles P-C4'-P energy: -61.541 tors. eta vs tors. theta energy: -90.593 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: 1 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -847.200518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.200518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.200518 (E_RNA) where: Base-Base interactions energy: -486.836 where: short stacking energy: -254.848 Base-Backbone interact. energy: -1.127 local terms energy: -359.237648 where: bonds (distance) C4'-P energy: -100.157 bonds (distance) P-C4' energy: -101.197 flat angles C4'-P-C4' energy: -95.191 flat angles P-C4'-P energy: -49.669 tors. eta vs tors. theta energy: -13.023 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: 4 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -531.274813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.274813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.274813 (E_RNA) where: Base-Base interactions energy: -212.234 where: short stacking energy: -142.459 Base-Backbone interact. energy: 3.467 local terms energy: -322.507115 where: bonds (distance) C4'-P energy: -93.472 bonds (distance) P-C4' energy: -107.823 flat angles C4'-P-C4' energy: -69.571 flat angles P-C4'-P energy: -61.040 tors. eta vs tors. theta energy: 9.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2211.563313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.563313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.563313 (E_RNA) where: Base-Base interactions energy: -1545.402 where: short stacking energy: -644.938 Base-Backbone interact. energy: 4.008 local terms energy: -670.169672 where: bonds (distance) C4'-P energy: -138.219 bonds (distance) P-C4' energy: -124.044 flat angles C4'-P-C4' energy: -132.274 flat angles P-C4'-P energy: -92.045 tors. eta vs tors. theta energy: -183.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2103.255084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.255084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.255084 (E_RNA) where: Base-Base interactions energy: -1452.031 where: short stacking energy: -646.402 Base-Backbone interact. energy: -1.763 local terms energy: -649.460376 where: bonds (distance) C4'-P energy: -112.879 bonds (distance) P-C4' energy: -128.562 flat angles C4'-P-C4' energy: -142.112 flat angles P-C4'-P energy: -83.608 tors. eta vs tors. theta energy: -182.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1995.258663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.258663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.258663 (E_RNA) where: Base-Base interactions energy: -1397.464 where: short stacking energy: -583.725 Base-Backbone interact. energy: -1.585 local terms energy: -596.209803 where: bonds (distance) C4'-P energy: -104.260 bonds (distance) P-C4' energy: -115.159 flat angles C4'-P-C4' energy: -129.262 flat angles P-C4'-P energy: -84.168 tors. eta vs tors. theta energy: -163.361 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: 7 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1859.090970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.090970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.090970 (E_RNA) where: Base-Base interactions energy: -1288.924 where: short stacking energy: -567.121 Base-Backbone interact. energy: 0.771 local terms energy: -570.938417 where: bonds (distance) C4'-P energy: -101.502 bonds (distance) P-C4' energy: -122.486 flat angles C4'-P-C4' energy: -116.290 flat angles P-C4'-P energy: -78.840 tors. eta vs tors. theta energy: -151.822 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: 8 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1735.766597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.766597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.766597 (E_RNA) where: Base-Base interactions energy: -1212.974 where: short stacking energy: -526.850 Base-Backbone interact. energy: -3.147 local terms energy: -519.644967 where: bonds (distance) C4'-P energy: -104.644 bonds (distance) P-C4' energy: -96.799 flat angles C4'-P-C4' energy: -111.291 flat angles P-C4'-P energy: -71.528 tors. eta vs tors. theta energy: -135.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1711.219231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.219231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.219231 (E_RNA) where: Base-Base interactions energy: -1144.087 where: short stacking energy: -508.443 Base-Backbone interact. energy: -1.300 local terms energy: -565.831526 where: bonds (distance) C4'-P energy: -96.004 bonds (distance) P-C4' energy: -122.210 flat angles C4'-P-C4' energy: -117.303 flat angles P-C4'-P energy: -90.706 tors. eta vs tors. theta energy: -139.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1511.808052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.808052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.808052 (E_RNA) where: Base-Base interactions energy: -983.948 where: short stacking energy: -455.622 Base-Backbone interact. energy: 3.076 local terms energy: -530.936639 where: bonds (distance) C4'-P energy: -97.161 bonds (distance) P-C4' energy: -112.112 flat angles C4'-P-C4' energy: -116.712 flat angles P-C4'-P energy: -74.376 tors. eta vs tors. theta energy: -130.577 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: 10 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1247.996908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.996908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.996908 (E_RNA) where: Base-Base interactions energy: -825.841 where: short stacking energy: -387.707 Base-Backbone interact. energy: 0.560 local terms energy: -422.715678 where: bonds (distance) C4'-P energy: -77.124 bonds (distance) P-C4' energy: -101.468 flat angles C4'-P-C4' energy: -93.120 flat angles P-C4'-P energy: -61.451 tors. eta vs tors. theta energy: -89.553 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: 9, replica: 1 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -830.289373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.289373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.289373 (E_RNA) where: Base-Base interactions energy: -416.993 where: short stacking energy: -233.318 Base-Backbone interact. energy: -0.947 local terms energy: -412.349291 where: bonds (distance) C4'-P energy: -119.926 bonds (distance) P-C4' energy: -121.275 flat angles C4'-P-C4' energy: -91.402 flat angles P-C4'-P energy: -63.832 tors. eta vs tors. theta energy: -15.915 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: 4 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -492.044240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.044240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.044240 (E_RNA) where: Base-Base interactions energy: -185.643 where: short stacking energy: -141.884 Base-Backbone interact. energy: -1.179 local terms energy: -305.222472 where: bonds (distance) C4'-P energy: -89.234 bonds (distance) P-C4' energy: -107.169 flat angles C4'-P-C4' energy: -81.679 flat angles P-C4'-P energy: -44.385 tors. eta vs tors. theta energy: 17.245 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: 168 Temperature: 0.900000 Total energy: -2197.079296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.079296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.079296 (E_RNA) where: Base-Base interactions energy: -1534.031 where: short stacking energy: -662.041 Base-Backbone interact. energy: -3.178 local terms energy: -659.870789 where: bonds (distance) C4'-P energy: -124.017 bonds (distance) P-C4' energy: -119.958 flat angles C4'-P-C4' energy: -143.537 flat angles P-C4'-P energy: -85.067 tors. eta vs tors. theta energy: -187.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2110.683594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.683594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.683594 (E_RNA) where: Base-Base interactions energy: -1467.322 where: short stacking energy: -634.799 Base-Backbone interact. energy: -2.046 local terms energy: -641.316075 where: bonds (distance) C4'-P energy: -120.474 bonds (distance) P-C4' energy: -109.271 flat angles C4'-P-C4' energy: -143.303 flat angles P-C4'-P energy: -83.125 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: 3, replica: 5 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2020.235023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.235023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.235023 (E_RNA) where: Base-Base interactions energy: -1408.276 where: short stacking energy: -580.446 Base-Backbone interact. energy: -1.691 local terms energy: -610.268154 where: bonds (distance) C4'-P energy: -117.499 bonds (distance) P-C4' energy: -118.265 flat angles C4'-P-C4' energy: -132.753 flat angles P-C4'-P energy: -87.431 tors. eta vs tors. theta energy: -154.321 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: 7 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1860.825051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.825051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.825051 (E_RNA) where: Base-Base interactions energy: -1281.937 where: short stacking energy: -553.547 Base-Backbone interact. energy: 3.287 local terms energy: -582.175536 where: bonds (distance) C4'-P energy: -100.261 bonds (distance) P-C4' energy: -125.969 flat angles C4'-P-C4' energy: -132.505 flat angles P-C4'-P energy: -69.750 tors. eta vs tors. theta energy: -153.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1752.363828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.363828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.363828 (E_RNA) where: Base-Base interactions energy: -1162.705 where: short stacking energy: -530.244 Base-Backbone interact. energy: -0.404 local terms energy: -589.254562 where: bonds (distance) C4'-P energy: -110.243 bonds (distance) P-C4' energy: -129.296 flat angles C4'-P-C4' energy: -132.168 flat angles P-C4'-P energy: -78.296 tors. eta vs tors. theta energy: -139.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1652.648478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.648478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.648478 (E_RNA) where: Base-Base interactions energy: -1064.944 where: short stacking energy: -505.691 Base-Backbone interact. energy: -0.063 local terms energy: -587.642119 where: bonds (distance) C4'-P energy: -108.055 bonds (distance) P-C4' energy: -118.949 flat angles C4'-P-C4' energy: -135.735 flat angles P-C4'-P energy: -88.723 tors. eta vs tors. theta energy: -136.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1525.152837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.152837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.152837 (E_RNA) where: Base-Base interactions energy: -987.826 where: short stacking energy: -441.749 Base-Backbone interact. energy: 0.170 local terms energy: -537.496538 where: bonds (distance) C4'-P energy: -111.913 bonds (distance) P-C4' energy: -107.767 flat angles C4'-P-C4' energy: -118.585 flat angles P-C4'-P energy: -75.509 tors. eta vs tors. theta energy: -123.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1234.994551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.994551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.994551 (E_RNA) where: Base-Base interactions energy: -783.960 where: short stacking energy: -359.868 Base-Backbone interact. energy: -1.907 local terms energy: -449.127894 where: bonds (distance) C4'-P energy: -100.317 bonds (distance) P-C4' energy: -99.134 flat angles C4'-P-C4' energy: -115.205 flat angles P-C4'-P energy: -55.835 tors. eta vs tors. theta energy: -78.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -799.672924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.672924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.672924 (E_RNA) where: Base-Base interactions energy: -446.596 where: short stacking energy: -226.903 Base-Backbone interact. energy: -0.447 local terms energy: -352.629368 where: bonds (distance) C4'-P energy: -86.390 bonds (distance) P-C4' energy: -101.776 flat angles C4'-P-C4' energy: -89.871 flat angles P-C4'-P energy: -64.268 tors. eta vs tors. theta energy: -10.326 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: 4 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -476.375557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.375557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.375557 (E_RNA) where: Base-Base interactions energy: -166.066 where: short stacking energy: -137.511 Base-Backbone interact. energy: 0.151 local terms energy: -310.460095 where: bonds (distance) C4'-P energy: -84.197 bonds (distance) P-C4' energy: -109.101 flat angles C4'-P-C4' energy: -91.202 flat angles P-C4'-P energy: -57.402 tors. eta vs tors. theta energy: 31.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2194.443646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.443646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.443646 (E_RNA) where: Base-Base interactions energy: -1540.334 where: short stacking energy: -678.812 Base-Backbone interact. energy: -2.602 local terms energy: -651.507955 where: bonds (distance) C4'-P energy: -112.005 bonds (distance) P-C4' energy: -119.160 flat angles C4'-P-C4' energy: -146.473 flat angles P-C4'-P energy: -80.756 tors. eta vs tors. theta energy: -193.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2120.030681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.030681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.030681 (E_RNA) where: Base-Base interactions energy: -1450.504 where: short stacking energy: -637.017 Base-Backbone interact. energy: 0.775 local terms energy: -670.301642 where: bonds (distance) C4'-P energy: -120.915 bonds (distance) P-C4' energy: -127.966 flat angles C4'-P-C4' energy: -144.161 flat angles P-C4'-P energy: -88.552 tors. eta vs tors. theta energy: -188.707 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: 3, replica: 5 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1995.327814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.327814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.327814 (E_RNA) where: Base-Base interactions energy: -1394.986 where: short stacking energy: -577.104 Base-Backbone interact. energy: 3.560 local terms energy: -603.901848 where: bonds (distance) C4'-P energy: -115.879 bonds (distance) P-C4' energy: -116.178 flat angles C4'-P-C4' energy: -130.574 flat angles P-C4'-P energy: -87.519 tors. eta vs tors. theta energy: -153.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1873.247292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.247292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.247292 (E_RNA) where: Base-Base interactions energy: -1294.483 where: short stacking energy: -567.600 Base-Backbone interact. energy: -2.607 local terms energy: -576.157683 where: bonds (distance) C4'-P energy: -93.715 bonds (distance) P-C4' energy: -105.179 flat angles C4'-P-C4' energy: -137.753 flat angles P-C4'-P energy: -74.478 tors. eta vs tors. theta energy: -165.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1756.271340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.271340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.271340 (E_RNA) where: Base-Base interactions energy: -1179.749 where: short stacking energy: -523.978 Base-Backbone interact. energy: 0.054 local terms energy: -576.575885 where: bonds (distance) C4'-P energy: -103.207 bonds (distance) P-C4' energy: -116.983 flat angles C4'-P-C4' energy: -126.022 flat angles P-C4'-P energy: -100.162 tors. eta vs tors. theta energy: -130.201 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: 6 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1656.059936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.059936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.059936 (E_RNA) where: Base-Base interactions energy: -1129.133 where: short stacking energy: -515.017 Base-Backbone interact. energy: -0.181 local terms energy: -526.745483 where: bonds (distance) C4'-P energy: -97.503 bonds (distance) P-C4' energy: -104.242 flat angles C4'-P-C4' energy: -123.730 flat angles P-C4'-P energy: -64.332 tors. eta vs tors. theta energy: -136.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1511.710346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.710346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.710346 (E_RNA) where: Base-Base interactions energy: -1006.725 where: short stacking energy: -470.480 Base-Backbone interact. energy: 0.610 local terms energy: -505.595702 where: bonds (distance) C4'-P energy: -91.391 bonds (distance) P-C4' energy: -101.058 flat angles C4'-P-C4' energy: -115.949 flat angles P-C4'-P energy: -70.008 tors. eta vs tors. theta energy: -127.190 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: 10 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1245.672662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.672662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.672662 (E_RNA) where: Base-Base interactions energy: -820.339 where: short stacking energy: -361.025 Base-Backbone interact. energy: 3.499 local terms energy: -428.832665 where: bonds (distance) C4'-P energy: -104.786 bonds (distance) P-C4' energy: -101.016 flat angles C4'-P-C4' energy: -93.990 flat angles P-C4'-P energy: -75.030 tors. eta vs tors. theta energy: -54.010 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: 1 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -772.034928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.034928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.034928 (E_RNA) where: Base-Base interactions energy: -442.204 where: short stacking energy: -223.159 Base-Backbone interact. energy: -1.160 local terms energy: -328.670898 where: bonds (distance) C4'-P energy: -76.384 bonds (distance) P-C4' energy: -96.834 flat angles C4'-P-C4' energy: -100.553 flat angles P-C4'-P energy: -43.254 tors. eta vs tors. theta energy: -11.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -490.695380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.695380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.695380 (E_RNA) where: Base-Base interactions energy: -164.452 where: short stacking energy: -143.698 Base-Backbone interact. energy: 1.753 local terms energy: -327.996217 where: bonds (distance) C4'-P energy: -100.776 bonds (distance) P-C4' energy: -102.602 flat angles C4'-P-C4' energy: -76.576 flat angles P-C4'-P energy: -48.064 tors. eta vs tors. theta energy: 0.022 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: 2 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2194.702879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.702879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.702879 (E_RNA) where: Base-Base interactions energy: -1537.032 where: short stacking energy: -636.239 Base-Backbone interact. energy: 0.555 local terms energy: -658.226140 where: bonds (distance) C4'-P energy: -119.109 bonds (distance) P-C4' energy: -125.279 flat angles C4'-P-C4' energy: -149.296 flat angles P-C4'-P energy: -85.582 tors. eta vs tors. theta energy: -178.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2108.274393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.274393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.274393 (E_RNA) where: Base-Base interactions energy: -1462.731 where: short stacking energy: -643.002 Base-Backbone interact. energy: -3.650 local terms energy: -641.893794 where: bonds (distance) C4'-P energy: -122.230 bonds (distance) P-C4' energy: -123.693 flat angles C4'-P-C4' energy: -131.457 flat angles P-C4'-P energy: -77.229 tors. eta vs tors. theta energy: -187.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1989.096801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.096801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.096801 (E_RNA) where: Base-Base interactions energy: -1396.903 where: short stacking energy: -587.925 Base-Backbone interact. energy: -2.427 local terms energy: -589.766046 where: bonds (distance) C4'-P energy: -105.751 bonds (distance) P-C4' energy: -124.437 flat angles C4'-P-C4' energy: -124.898 flat angles P-C4'-P energy: -79.664 tors. eta vs tors. theta energy: -155.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1832.910905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.910905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.910905 (E_RNA) where: Base-Base interactions energy: -1258.194 where: short stacking energy: -548.015 Base-Backbone interact. energy: -0.980 local terms energy: -573.736859 where: bonds (distance) C4'-P energy: -118.226 bonds (distance) P-C4' energy: -101.241 flat angles C4'-P-C4' energy: -139.256 flat angles P-C4'-P energy: -72.457 tors. eta vs tors. theta energy: -142.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1829.019567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.019567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.019567 (E_RNA) where: Base-Base interactions energy: -1238.719 where: short stacking energy: -566.686 Base-Backbone interact. energy: -1.710 local terms energy: -588.591219 where: bonds (distance) C4'-P energy: -114.882 bonds (distance) P-C4' energy: -101.143 flat angles C4'-P-C4' energy: -136.860 flat angles P-C4'-P energy: -74.503 tors. eta vs tors. theta energy: -161.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1722.746362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.746362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.746362 (E_RNA) where: Base-Base interactions energy: -1159.413 where: short stacking energy: -556.615 Base-Backbone interact. energy: -1.826 local terms energy: -561.507172 where: bonds (distance) C4'-P energy: -103.033 bonds (distance) P-C4' energy: -105.881 flat angles C4'-P-C4' energy: -120.118 flat angles P-C4'-P energy: -84.892 tors. eta vs tors. theta energy: -147.583 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: 7, replica: 9 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1432.173497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.173497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.173497 (E_RNA) where: Base-Base interactions energy: -946.962 where: short stacking energy: -443.398 Base-Backbone interact. energy: -2.805 local terms energy: -482.406639 where: bonds (distance) C4'-P energy: -80.788 bonds (distance) P-C4' energy: -111.335 flat angles C4'-P-C4' energy: -112.564 flat angles P-C4'-P energy: -68.471 tors. eta vs tors. theta energy: -109.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1284.234413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.234413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.234413 (E_RNA) where: Base-Base interactions energy: -863.293 where: short stacking energy: -365.099 Base-Backbone interact. energy: -7.058 local terms energy: -413.883146 where: bonds (distance) C4'-P energy: -68.061 bonds (distance) P-C4' energy: -118.479 flat angles C4'-P-C4' energy: -105.487 flat angles P-C4'-P energy: -59.225 tors. eta vs tors. theta energy: -62.631 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: 1 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -765.713252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.713252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.713252 (E_RNA) where: Base-Base interactions energy: -396.102 where: short stacking energy: -223.915 Base-Backbone interact. energy: 1.059 local terms energy: -370.670261 where: bonds (distance) C4'-P energy: -89.734 bonds (distance) P-C4' energy: -108.452 flat angles C4'-P-C4' energy: -83.328 flat angles P-C4'-P energy: -60.739 tors. eta vs tors. theta energy: -28.417 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: 4 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -457.707458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.707458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.707458 (E_RNA) where: Base-Base interactions energy: -195.110 where: short stacking energy: -113.694 Base-Backbone interact. energy: 7.401 local terms energy: -269.998006 where: bonds (distance) C4'-P energy: -91.095 bonds (distance) P-C4' energy: -96.675 flat angles C4'-P-C4' energy: -55.118 flat angles P-C4'-P energy: -61.781 tors. eta vs tors. theta energy: 34.671 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: 2 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2193.647891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.647891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.647891 (E_RNA) where: Base-Base interactions energy: -1547.509 where: short stacking energy: -669.049 Base-Backbone interact. energy: -0.074 local terms energy: -646.064616 where: bonds (distance) C4'-P energy: -116.476 bonds (distance) P-C4' energy: -119.527 flat angles C4'-P-C4' energy: -136.810 flat angles P-C4'-P energy: -92.009 tors. eta vs tors. theta energy: -181.242 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: 2, replica: 3 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2097.685762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.685762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.685762 (E_RNA) where: Base-Base interactions energy: -1447.627 where: short stacking energy: -639.770 Base-Backbone interact. energy: -1.360 local terms energy: -648.698532 where: bonds (distance) C4'-P energy: -121.979 bonds (distance) P-C4' energy: -131.897 flat angles C4'-P-C4' energy: -132.367 flat angles P-C4'-P energy: -77.518 tors. eta vs tors. theta energy: -184.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2023.114405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.114405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.114405 (E_RNA) where: Base-Base interactions energy: -1427.732 where: short stacking energy: -575.146 Base-Backbone interact. energy: -2.295 local terms energy: -593.087396 where: bonds (distance) C4'-P energy: -107.994 bonds (distance) P-C4' energy: -112.828 flat angles C4'-P-C4' energy: -138.807 flat angles P-C4'-P energy: -82.483 tors. eta vs tors. theta energy: -150.975 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: 7 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1815.631955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.631955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.631955 (E_RNA) where: Base-Base interactions energy: -1253.806 where: short stacking energy: -533.298 Base-Backbone interact. energy: -1.450 local terms energy: -560.376190 where: bonds (distance) C4'-P energy: -106.720 bonds (distance) P-C4' energy: -116.272 flat angles C4'-P-C4' energy: -115.374 flat angles P-C4'-P energy: -75.954 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: 8 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1751.190213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.190213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.190213 (E_RNA) where: Base-Base interactions energy: -1171.429 where: short stacking energy: -543.216 Base-Backbone interact. energy: 1.300 local terms energy: -581.061240 where: bonds (distance) C4'-P energy: -108.856 bonds (distance) P-C4' energy: -98.477 flat angles C4'-P-C4' energy: -136.859 flat angles P-C4'-P energy: -101.972 tors. eta vs tors. theta energy: -134.897 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: 6 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1702.255563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.255563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.255563 (E_RNA) where: Base-Base interactions energy: -1154.702 where: short stacking energy: -534.785 Base-Backbone interact. energy: -1.143 local terms energy: -546.410580 where: bonds (distance) C4'-P energy: -93.780 bonds (distance) P-C4' energy: -110.159 flat angles C4'-P-C4' energy: -119.478 flat angles P-C4'-P energy: -81.107 tors. eta vs tors. theta energy: -141.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1446.801701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.801701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.801701 (E_RNA) where: Base-Base interactions energy: -934.391 where: short stacking energy: -441.667 Base-Backbone interact. energy: -2.751 local terms energy: -509.659366 where: bonds (distance) C4'-P energy: -95.956 bonds (distance) P-C4' energy: -110.651 flat angles C4'-P-C4' energy: -126.661 flat angles P-C4'-P energy: -56.184 tors. eta vs tors. theta energy: -120.208 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: 10 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1309.945153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.945153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.945153 (E_RNA) where: Base-Base interactions energy: -881.896 where: short stacking energy: -375.603 Base-Backbone interact. energy: 1.662 local terms energy: -429.710446 where: bonds (distance) C4'-P energy: -84.033 bonds (distance) P-C4' energy: -116.509 flat angles C4'-P-C4' energy: -95.041 flat angles P-C4'-P energy: -63.491 tors. eta vs tors. theta energy: -70.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -738.343707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.343707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.343707 (E_RNA) where: Base-Base interactions energy: -390.036 where: short stacking energy: -232.057 Base-Backbone interact. energy: -2.265 local terms energy: -346.042523 where: bonds (distance) C4'-P energy: -99.751 bonds (distance) P-C4' energy: -93.897 flat angles C4'-P-C4' energy: -75.859 flat angles P-C4'-P energy: -65.645 tors. eta vs tors. theta energy: -10.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -531.864024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.864024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.864024 (E_RNA) where: Base-Base interactions energy: -207.262 where: short stacking energy: -142.448 Base-Backbone interact. energy: 2.099 local terms energy: -326.701360 where: bonds (distance) C4'-P energy: -94.829 bonds (distance) P-C4' energy: -122.335 flat angles C4'-P-C4' energy: -89.270 flat angles P-C4'-P energy: -41.822 tors. eta vs tors. theta energy: 21.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2207.028030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.028030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.028030 (E_RNA) where: Base-Base interactions energy: -1554.989 where: short stacking energy: -670.813 Base-Backbone interact. energy: -2.973 local terms energy: -649.066726 where: bonds (distance) C4'-P energy: -120.814 bonds (distance) P-C4' energy: -129.041 flat angles C4'-P-C4' energy: -135.458 flat angles P-C4'-P energy: -80.679 tors. eta vs tors. theta energy: -183.075 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: 3 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2091.004005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.004005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.004005 (E_RNA) where: Base-Base interactions energy: -1442.668 where: short stacking energy: -656.992 Base-Backbone interact. energy: 0.984 local terms energy: -649.319928 where: bonds (distance) C4'-P energy: -114.837 bonds (distance) P-C4' energy: -122.853 flat angles C4'-P-C4' energy: -139.709 flat angles P-C4'-P energy: -89.232 tors. eta vs tors. theta energy: -182.689 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: 3, replica: 5 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2021.817554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.817554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.817554 (E_RNA) where: Base-Base interactions energy: -1421.746 where: short stacking energy: -594.493 Base-Backbone interact. energy: 2.447 local terms energy: -602.518455 where: bonds (distance) C4'-P energy: -99.830 bonds (distance) P-C4' energy: -122.931 flat angles C4'-P-C4' energy: -130.636 flat angles P-C4'-P energy: -82.557 tors. eta vs tors. theta energy: -166.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1853.812362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.812362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.812362 (E_RNA) where: Base-Base interactions energy: -1253.117 where: short stacking energy: -557.987 Base-Backbone interact. energy: -1.090 local terms energy: -599.605076 where: bonds (distance) C4'-P energy: -122.660 bonds (distance) P-C4' energy: -100.507 flat angles C4'-P-C4' energy: -134.927 flat angles P-C4'-P energy: -86.694 tors. eta vs tors. theta energy: -154.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1725.949824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.949824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.949824 (E_RNA) where: Base-Base interactions energy: -1155.120 where: short stacking energy: -528.818 Base-Backbone interact. energy: -1.477 local terms energy: -569.352172 where: bonds (distance) C4'-P energy: -101.685 bonds (distance) P-C4' energy: -118.101 flat angles C4'-P-C4' energy: -128.952 flat angles P-C4'-P energy: -75.985 tors. eta vs tors. theta energy: -144.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1651.035614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.035614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.035614 (E_RNA) where: Base-Base interactions energy: -1126.239 where: short stacking energy: -507.199 Base-Backbone interact. energy: 0.974 local terms energy: -525.770342 where: bonds (distance) C4'-P energy: -105.868 bonds (distance) P-C4' energy: -99.522 flat angles C4'-P-C4' energy: -117.275 flat angles P-C4'-P energy: -72.907 tors. eta vs tors. theta energy: -130.199 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: 172 Temperature: 1.200000 Total energy: -1345.615269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.615269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.615269 (E_RNA) where: Base-Base interactions energy: -875.567 where: short stacking energy: -391.318 Base-Backbone interact. energy: 1.433 local terms energy: -471.481220 where: bonds (distance) C4'-P energy: -109.183 bonds (distance) P-C4' energy: -112.072 flat angles C4'-P-C4' energy: -98.362 flat angles P-C4'-P energy: -68.560 tors. eta vs tors. theta energy: -83.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1362.664778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.664778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.664778 (E_RNA) where: Base-Base interactions energy: -892.935 where: short stacking energy: -417.910 Base-Backbone interact. energy: -2.041 local terms energy: -467.688170 where: bonds (distance) C4'-P energy: -85.731 bonds (distance) P-C4' energy: -102.854 flat angles C4'-P-C4' energy: -120.797 flat angles P-C4'-P energy: -59.742 tors. eta vs tors. theta energy: -98.565 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: 9, replica: 1 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -841.566121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.566121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.566121 (E_RNA) where: Base-Base interactions energy: -478.463 where: short stacking energy: -230.549 Base-Backbone interact. energy: 5.298 local terms energy: -368.400880 where: bonds (distance) C4'-P energy: -109.344 bonds (distance) P-C4' energy: -107.505 flat angles C4'-P-C4' energy: -75.522 flat angles P-C4'-P energy: -57.776 tors. eta vs tors. theta energy: -18.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -543.062621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.062621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.062621 (E_RNA) where: Base-Base interactions energy: -206.522 where: short stacking energy: -138.581 Base-Backbone interact. energy: -3.857 local terms energy: -332.684392 where: bonds (distance) C4'-P energy: -104.874 bonds (distance) P-C4' energy: -92.979 flat angles C4'-P-C4' energy: -91.714 flat angles P-C4'-P energy: -69.024 tors. eta vs tors. theta energy: 25.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2208.045782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.045782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.045782 (E_RNA) where: Base-Base interactions energy: -1546.860 where: short stacking energy: -658.163 Base-Backbone interact. energy: -0.936 local terms energy: -660.249529 where: bonds (distance) C4'-P energy: -121.674 bonds (distance) P-C4' energy: -124.465 flat angles C4'-P-C4' energy: -137.011 flat angles P-C4'-P energy: -91.746 tors. eta vs tors. theta energy: -185.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2090.555626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.555626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.555626 (E_RNA) where: Base-Base interactions energy: -1467.221 where: short stacking energy: -624.822 Base-Backbone interact. energy: -2.313 local terms energy: -621.022097 where: bonds (distance) C4'-P energy: -124.638 bonds (distance) P-C4' energy: -105.646 flat angles C4'-P-C4' energy: -136.401 flat angles P-C4'-P energy: -75.675 tors. eta vs tors. theta energy: -178.663 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: 3, replica: 5 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2008.456821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.456821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.456821 (E_RNA) where: Base-Base interactions energy: -1387.764 where: short stacking energy: -566.695 Base-Backbone interact. energy: 3.587 local terms energy: -624.279693 where: bonds (distance) C4'-P energy: -118.156 bonds (distance) P-C4' energy: -134.269 flat angles C4'-P-C4' energy: -120.745 flat angles P-C4'-P energy: -99.785 tors. eta vs tors. theta energy: -151.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1848.160559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.160559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.160559 (E_RNA) where: Base-Base interactions energy: -1281.600 where: short stacking energy: -575.761 Base-Backbone interact. energy: -1.009 local terms energy: -565.551587 where: bonds (distance) C4'-P energy: -94.276 bonds (distance) P-C4' energy: -96.925 flat angles C4'-P-C4' energy: -127.171 flat angles P-C4'-P energy: -86.573 tors. eta vs tors. theta energy: -160.608 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: 5, replica: 6 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1742.624285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.624285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.624285 (E_RNA) where: Base-Base interactions energy: -1164.104 where: short stacking energy: -534.125 Base-Backbone interact. energy: -2.464 local terms energy: -576.055664 where: bonds (distance) C4'-P energy: -101.572 bonds (distance) P-C4' energy: -113.171 flat angles C4'-P-C4' energy: -125.801 flat angles P-C4'-P energy: -76.451 tors. eta vs tors. theta energy: -159.060 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: 8 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1665.007849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.007849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.007849 (E_RNA) where: Base-Base interactions energy: -1132.413 where: short stacking energy: -481.698 Base-Backbone interact. energy: 0.903 local terms energy: -533.497994 where: bonds (distance) C4'-P energy: -98.165 bonds (distance) P-C4' energy: -114.778 flat angles C4'-P-C4' energy: -119.424 flat angles P-C4'-P energy: -71.771 tors. eta vs tors. theta energy: -129.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1431.890856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.890856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.890856 (E_RNA) where: Base-Base interactions energy: -954.807 where: short stacking energy: -422.957 Base-Backbone interact. energy: -1.458 local terms energy: -475.626157 where: bonds (distance) C4'-P energy: -113.002 bonds (distance) P-C4' energy: -109.097 flat angles C4'-P-C4' energy: -108.032 flat angles P-C4'-P energy: -62.248 tors. eta vs tors. theta energy: -83.248 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: 9 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1363.343320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.343320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.343320 (E_RNA) where: Base-Base interactions energy: -892.138 where: short stacking energy: -435.104 Base-Backbone interact. energy: 1.784 local terms energy: -472.989048 where: bonds (distance) C4'-P energy: -83.086 bonds (distance) P-C4' energy: -110.095 flat angles C4'-P-C4' energy: -105.081 flat angles P-C4'-P energy: -63.421 tors. eta vs tors. theta energy: -111.306 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: 9, replica: 1 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -845.026414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.026414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.026414 (E_RNA) where: Base-Base interactions energy: -472.070 where: short stacking energy: -228.609 Base-Backbone interact. energy: -1.243 local terms energy: -371.713646 where: bonds (distance) C4'-P energy: -103.674 bonds (distance) P-C4' energy: -113.934 flat angles C4'-P-C4' energy: -90.899 flat angles P-C4'-P energy: -49.675 tors. eta vs tors. theta energy: -13.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -596.689372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.689372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.689372 (E_RNA) where: Base-Base interactions energy: -277.978 where: short stacking energy: -182.132 Base-Backbone interact. energy: 7.889 local terms energy: -326.600397 where: bonds (distance) C4'-P energy: -105.622 bonds (distance) P-C4' energy: -101.257 flat angles C4'-P-C4' energy: -86.982 flat angles P-C4'-P energy: -27.318 tors. eta vs tors. theta energy: -5.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2192.105639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.105639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.105639 (E_RNA) where: Base-Base interactions energy: -1520.765 where: short stacking energy: -647.904 Base-Backbone interact. energy: -2.934 local terms energy: -668.406767 where: bonds (distance) C4'-P energy: -131.439 bonds (distance) P-C4' energy: -138.472 flat angles C4'-P-C4' energy: -130.366 flat angles P-C4'-P energy: -88.380 tors. eta vs tors. theta energy: -179.750 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: 2, replica: 3 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2096.944793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.944793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.944793 (E_RNA) where: Base-Base interactions energy: -1458.603 where: short stacking energy: -610.775 Base-Backbone interact. energy: -1.205 local terms energy: -637.136959 where: bonds (distance) C4'-P energy: -111.060 bonds (distance) P-C4' energy: -124.837 flat angles C4'-P-C4' energy: -141.192 flat angles P-C4'-P energy: -93.949 tors. eta vs tors. theta energy: -166.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2013.520779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.520779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.520779 (E_RNA) where: Base-Base interactions energy: -1386.945 where: short stacking energy: -591.627 Base-Backbone interact. energy: -3.667 local terms energy: -622.909063 where: bonds (distance) C4'-P energy: -126.151 bonds (distance) P-C4' energy: -122.713 flat angles C4'-P-C4' energy: -122.841 flat angles P-C4'-P energy: -84.670 tors. eta vs tors. theta energy: -166.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1857.065282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.065282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.065282 (E_RNA) where: Base-Base interactions energy: -1264.169 where: short stacking energy: -561.553 Base-Backbone interact. energy: 0.309 local terms energy: -593.204847 where: bonds (distance) C4'-P energy: -113.534 bonds (distance) P-C4' energy: -109.266 flat angles C4'-P-C4' energy: -131.509 flat angles P-C4'-P energy: -82.901 tors. eta vs tors. theta energy: -155.995 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: 8 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1797.075225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.075225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.075225 (E_RNA) where: Base-Base interactions energy: -1244.955 where: short stacking energy: -548.220 Base-Backbone interact. energy: -0.875 local terms energy: -551.245584 where: bonds (distance) C4'-P energy: -89.347 bonds (distance) P-C4' energy: -120.995 flat angles C4'-P-C4' energy: -112.747 flat angles P-C4'-P energy: -79.308 tors. eta vs tors. theta energy: -148.850 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: 174 Temperature: 1.150000 Total energy: -1756.667314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.667314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.667314 (E_RNA) where: Base-Base interactions energy: -1196.097 where: short stacking energy: -551.174 Base-Backbone interact. energy: -0.079 local terms energy: -560.490449 where: bonds (distance) C4'-P energy: -93.618 bonds (distance) P-C4' energy: -110.795 flat angles C4'-P-C4' energy: -129.394 flat angles P-C4'-P energy: -76.878 tors. eta vs tors. theta energy: -149.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1354.793299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.793299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.793299 (E_RNA) where: Base-Base interactions energy: -909.596 where: short stacking energy: -379.934 Base-Backbone interact. energy: -1.520 local terms energy: -443.677398 where: bonds (distance) C4'-P energy: -95.799 bonds (distance) P-C4' energy: -109.691 flat angles C4'-P-C4' energy: -94.547 flat angles P-C4'-P energy: -70.884 tors. eta vs tors. theta energy: -72.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1327.153161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.153161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.153161 (E_RNA) where: Base-Base interactions energy: -844.202 where: short stacking energy: -418.560 Base-Backbone interact. energy: -0.141 local terms energy: -482.810513 where: bonds (distance) C4'-P energy: -99.028 bonds (distance) P-C4' energy: -109.036 flat angles C4'-P-C4' energy: -105.024 flat angles P-C4'-P energy: -66.772 tors. eta vs tors. theta energy: -102.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -863.261463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.261463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.261463 (E_RNA) where: Base-Base interactions energy: -494.611 where: short stacking energy: -275.883 Base-Backbone interact. energy: 1.992 local terms energy: -370.642837 where: bonds (distance) C4'-P energy: -108.629 bonds (distance) P-C4' energy: -93.591 flat angles C4'-P-C4' energy: -82.713 flat angles P-C4'-P energy: -54.680 tors. eta vs tors. theta energy: -31.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -605.410278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.410278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.410278 (E_RNA) where: Base-Base interactions energy: -280.979 where: short stacking energy: -185.854 Base-Backbone interact. energy: -3.047 local terms energy: -321.384408 where: bonds (distance) C4'-P energy: -88.004 bonds (distance) P-C4' energy: -105.598 flat angles C4'-P-C4' energy: -76.799 flat angles P-C4'-P energy: -50.234 tors. eta vs tors. theta energy: -0.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2162.321376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.321376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.321376 (E_RNA) where: Base-Base interactions energy: -1497.345 where: short stacking energy: -634.115 Base-Backbone interact. energy: -3.028 local terms energy: -661.948937 where: bonds (distance) C4'-P energy: -129.694 bonds (distance) P-C4' energy: -128.845 flat angles C4'-P-C4' energy: -136.609 flat angles P-C4'-P energy: -89.776 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: 2, replica: 3 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2077.262355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.262355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.262355 (E_RNA) where: Base-Base interactions energy: -1447.206 where: short stacking energy: -604.866 Base-Backbone interact. energy: -2.280 local terms energy: -627.776344 where: bonds (distance) C4'-P energy: -120.998 bonds (distance) P-C4' energy: -123.966 flat angles C4'-P-C4' energy: -134.320 flat angles P-C4'-P energy: -74.635 tors. eta vs tors. theta energy: -173.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2027.394101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.394101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.394101 (E_RNA) where: Base-Base interactions energy: -1408.705 where: short stacking energy: -595.773 Base-Backbone interact. energy: -0.340 local terms energy: -618.348808 where: bonds (distance) C4'-P energy: -101.055 bonds (distance) P-C4' energy: -125.616 flat angles C4'-P-C4' energy: -139.312 flat angles P-C4'-P energy: -87.761 tors. eta vs tors. theta energy: -164.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1845.275231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.275231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.275231 (E_RNA) where: Base-Base interactions energy: -1267.598 where: short stacking energy: -553.755 Base-Backbone interact. energy: -2.056 local terms energy: -575.621297 where: bonds (distance) C4'-P energy: -113.911 bonds (distance) P-C4' energy: -105.354 flat angles C4'-P-C4' energy: -120.217 flat angles P-C4'-P energy: -84.290 tors. eta vs tors. theta energy: -151.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1797.147255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.147255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.147255 (E_RNA) where: Base-Base interactions energy: -1224.619 where: short stacking energy: -551.203 Base-Backbone interact. energy: -0.866 local terms energy: -571.661778 where: bonds (distance) C4'-P energy: -103.515 bonds (distance) P-C4' energy: -114.529 flat angles C4'-P-C4' energy: -118.736 flat angles P-C4'-P energy: -89.687 tors. eta vs tors. theta energy: -145.195 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: 6 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1730.273653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.273653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.273653 (E_RNA) where: Base-Base interactions energy: -1170.134 where: short stacking energy: -539.727 Base-Backbone interact. energy: -1.687 local terms energy: -558.452606 where: bonds (distance) C4'-P energy: -109.661 bonds (distance) P-C4' energy: -92.294 flat angles C4'-P-C4' energy: -127.651 flat angles P-C4'-P energy: -80.306 tors. eta vs tors. theta energy: -148.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1406.801884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.801884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.801884 (E_RNA) where: Base-Base interactions energy: -931.768 where: short stacking energy: -391.730 Base-Backbone interact. energy: -1.999 local terms energy: -473.034963 where: bonds (distance) C4'-P energy: -105.330 bonds (distance) P-C4' energy: -100.663 flat angles C4'-P-C4' energy: -99.828 flat angles P-C4'-P energy: -76.993 tors. eta vs tors. theta energy: -90.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1318.006258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.006258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.006258 (E_RNA) where: Base-Base interactions energy: -885.051 where: short stacking energy: -438.810 Base-Backbone interact. energy: -0.912 local terms energy: -432.043554 where: bonds (distance) C4'-P energy: -83.492 bonds (distance) P-C4' energy: -82.597 flat angles C4'-P-C4' energy: -90.804 flat angles P-C4'-P energy: -69.873 tors. eta vs tors. theta energy: -105.278 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: 1 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -828.123657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.123657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.123657 (E_RNA) where: Base-Base interactions energy: -481.657 where: short stacking energy: -232.677 Base-Backbone interact. energy: 0.921 local terms energy: -347.387798 where: bonds (distance) C4'-P energy: -92.630 bonds (distance) P-C4' energy: -96.674 flat angles C4'-P-C4' energy: -97.285 flat angles P-C4'-P energy: -43.069 tors. eta vs tors. theta energy: -17.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -620.549659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.549659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.549659 (E_RNA) where: Base-Base interactions energy: -300.647 where: short stacking energy: -168.378 Base-Backbone interact. energy: -3.913 local terms energy: -315.989178 where: bonds (distance) C4'-P energy: -96.952 bonds (distance) P-C4' energy: -113.081 flat angles C4'-P-C4' energy: -78.336 flat angles P-C4'-P energy: -50.470 tors. eta vs tors. theta energy: 22.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2184.281350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.281350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.281350 (E_RNA) where: Base-Base interactions energy: -1521.134 where: short stacking energy: -650.391 Base-Backbone interact. energy: -3.692 local terms energy: -659.456079 where: bonds (distance) C4'-P energy: -120.950 bonds (distance) P-C4' energy: -133.279 flat angles C4'-P-C4' energy: -137.622 flat angles P-C4'-P energy: -84.996 tors. eta vs tors. theta energy: -182.610 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: 3 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2112.639133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.639133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.639133 (E_RNA) where: Base-Base interactions energy: -1460.798 where: short stacking energy: -606.033 Base-Backbone interact. energy: -1.421 local terms energy: -650.420088 where: bonds (distance) C4'-P energy: -127.955 bonds (distance) P-C4' energy: -123.485 flat angles C4'-P-C4' energy: -137.029 flat angles P-C4'-P energy: -93.574 tors. eta vs tors. theta energy: -168.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2046.169471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.169471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.169471 (E_RNA) where: Base-Base interactions energy: -1443.993 where: short stacking energy: -609.733 Base-Backbone interact. energy: -2.288 local terms energy: -599.888379 where: bonds (distance) C4'-P energy: -108.505 bonds (distance) P-C4' energy: -121.349 flat angles C4'-P-C4' energy: -129.496 flat angles P-C4'-P energy: -75.954 tors. eta vs tors. theta energy: -164.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1862.122434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.122434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.122434 (E_RNA) where: Base-Base interactions energy: -1257.329 where: short stacking energy: -559.089 Base-Backbone interact. energy: -3.639 local terms energy: -601.154838 where: bonds (distance) C4'-P energy: -107.177 bonds (distance) P-C4' energy: -120.750 flat angles C4'-P-C4' energy: -137.816 flat angles P-C4'-P energy: -67.155 tors. eta vs tors. theta energy: -168.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1864.596432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.596432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.596432 (E_RNA) where: Base-Base interactions energy: -1311.008 where: short stacking energy: -541.165 Base-Backbone interact. energy: -0.673 local terms energy: -552.915367 where: bonds (distance) C4'-P energy: -100.278 bonds (distance) P-C4' energy: -113.366 flat angles C4'-P-C4' energy: -123.574 flat angles P-C4'-P energy: -65.648 tors. eta vs tors. theta energy: -150.049 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: 6, replica: 6 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1742.856015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.856015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.856015 (E_RNA) where: Base-Base interactions energy: -1185.116 where: short stacking energy: -547.776 Base-Backbone interact. energy: -2.795 local terms energy: -554.944382 where: bonds (distance) C4'-P energy: -102.336 bonds (distance) P-C4' energy: -106.502 flat angles C4'-P-C4' energy: -120.325 flat angles P-C4'-P energy: -69.915 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: 176 Temperature: 1.200000 Total energy: -1404.146262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.146262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.146262 (E_RNA) where: Base-Base interactions energy: -929.561 where: short stacking energy: -397.478 Base-Backbone interact. energy: -2.380 local terms energy: -472.205134 where: bonds (distance) C4'-P energy: -98.439 bonds (distance) P-C4' energy: -113.864 flat angles C4'-P-C4' energy: -92.710 flat angles P-C4'-P energy: -74.086 tors. eta vs tors. theta energy: -93.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1281.131238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.131238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.131238 (E_RNA) where: Base-Base interactions energy: -832.846 where: short stacking energy: -385.693 Base-Backbone interact. energy: -2.950 local terms energy: -445.335670 where: bonds (distance) C4'-P energy: -86.316 bonds (distance) P-C4' energy: -98.104 flat angles C4'-P-C4' energy: -102.814 flat angles P-C4'-P energy: -67.250 tors. eta vs tors. theta energy: -90.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -866.919001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.919001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.919001 (E_RNA) where: Base-Base interactions energy: -526.421 where: short stacking energy: -257.046 Base-Backbone interact. energy: -1.311 local terms energy: -339.186307 where: bonds (distance) C4'-P energy: -95.176 bonds (distance) P-C4' energy: -96.491 flat angles C4'-P-C4' energy: -79.119 flat angles P-C4'-P energy: -47.012 tors. eta vs tors. theta energy: -21.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -603.928950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.928950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.928950 (E_RNA) where: Base-Base interactions energy: -331.795 where: short stacking energy: -185.131 Base-Backbone interact. energy: -4.573 local terms energy: -267.560348 where: bonds (distance) C4'-P energy: -84.384 bonds (distance) P-C4' energy: -89.706 flat angles C4'-P-C4' energy: -78.822 flat angles P-C4'-P energy: -30.546 tors. eta vs tors. theta energy: 15.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2155.821325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.821325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.821325 (E_RNA) where: Base-Base interactions energy: -1511.238 where: short stacking energy: -647.165 Base-Backbone interact. energy: -1.044 local terms energy: -643.539135 where: bonds (distance) C4'-P energy: -99.978 bonds (distance) P-C4' energy: -134.733 flat angles C4'-P-C4' energy: -141.738 flat angles P-C4'-P energy: -86.317 tors. eta vs tors. theta energy: -180.773 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: 3 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2097.224133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.224133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.224133 (E_RNA) where: Base-Base interactions energy: -1482.340 where: short stacking energy: -626.350 Base-Backbone interact. energy: -2.122 local terms energy: -612.762734 where: bonds (distance) C4'-P energy: -110.607 bonds (distance) P-C4' energy: -105.469 flat angles C4'-P-C4' energy: -131.055 flat angles P-C4'-P energy: -92.504 tors. eta vs tors. theta energy: -173.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1969.106005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.106005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.106005 (E_RNA) where: Base-Base interactions energy: -1364.815 where: short stacking energy: -556.904 Base-Backbone interact. energy: -0.418 local terms energy: -603.872456 where: bonds (distance) C4'-P energy: -103.661 bonds (distance) P-C4' energy: -117.145 flat angles C4'-P-C4' energy: -135.072 flat angles P-C4'-P energy: -91.850 tors. eta vs tors. theta energy: -156.145 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: 7 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1909.049331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.049331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.049331 (E_RNA) where: Base-Base interactions energy: -1289.442 where: short stacking energy: -560.205 Base-Backbone interact. energy: 3.287 local terms energy: -622.894586 where: bonds (distance) C4'-P energy: -101.566 bonds (distance) P-C4' energy: -120.114 flat angles C4'-P-C4' energy: -144.411 flat angles P-C4'-P energy: -92.152 tors. eta vs tors. theta energy: -164.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1848.168348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.168348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.168348 (E_RNA) where: Base-Base interactions energy: -1260.874 where: short stacking energy: -564.718 Base-Backbone interact. energy: -1.860 local terms energy: -585.434473 where: bonds (distance) C4'-P energy: -108.716 bonds (distance) P-C4' energy: -102.805 flat angles C4'-P-C4' energy: -126.847 flat angles P-C4'-P energy: -86.620 tors. eta vs tors. theta energy: -160.447 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: 6 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1726.495070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.495070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.495070 (E_RNA) where: Base-Base interactions energy: -1193.258 where: short stacking energy: -529.181 Base-Backbone interact. energy: -1.348 local terms energy: -531.889014 where: bonds (distance) C4'-P energy: -99.037 bonds (distance) P-C4' energy: -103.908 flat angles C4'-P-C4' energy: -107.209 flat angles P-C4'-P energy: -74.028 tors. eta vs tors. theta energy: -147.707 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: 7, replica: 10 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1431.998193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.998193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.998193 (E_RNA) where: Base-Base interactions energy: -945.544 where: short stacking energy: -379.708 Base-Backbone interact. energy: -1.242 local terms energy: -485.212826 where: bonds (distance) C4'-P energy: -107.209 bonds (distance) P-C4' energy: -106.329 flat angles C4'-P-C4' energy: -110.243 flat angles P-C4'-P energy: -68.178 tors. eta vs tors. theta energy: -93.255 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: 9 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1324.611202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.611202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.611202 (E_RNA) where: Base-Base interactions energy: -843.872 where: short stacking energy: -391.185 Base-Backbone interact. energy: -1.087 local terms energy: -479.652056 where: bonds (distance) C4'-P energy: -107.620 bonds (distance) P-C4' energy: -108.744 flat angles C4'-P-C4' energy: -105.059 flat angles P-C4'-P energy: -70.195 tors. eta vs tors. theta energy: -88.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -904.272289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.272289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.272289 (E_RNA) where: Base-Base interactions energy: -531.595 where: short stacking energy: -263.161 Base-Backbone interact. energy: -1.705 local terms energy: -370.972573 where: bonds (distance) C4'-P energy: -110.659 bonds (distance) P-C4' energy: -96.106 flat angles C4'-P-C4' energy: -79.794 flat angles P-C4'-P energy: -37.197 tors. eta vs tors. theta energy: -47.217 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: 4 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -585.355248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.355248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.355248 (E_RNA) where: Base-Base interactions energy: -284.810 where: short stacking energy: -179.302 Base-Backbone interact. energy: 7.240 local terms energy: -307.785821 where: bonds (distance) C4'-P energy: -83.795 bonds (distance) P-C4' energy: -86.614 flat angles C4'-P-C4' energy: -87.977 flat angles P-C4'-P energy: -58.510 tors. eta vs tors. theta energy: 9.109 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: 1, replica: 2 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2178.067741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.067741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.067741 (E_RNA) where: Base-Base interactions energy: -1518.304 where: short stacking energy: -649.504 Base-Backbone interact. energy: -1.723 local terms energy: -658.041254 where: bonds (distance) C4'-P energy: -109.553 bonds (distance) P-C4' energy: -122.116 flat angles C4'-P-C4' energy: -143.935 flat angles P-C4'-P energy: -101.202 tors. eta vs tors. theta energy: -181.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2087.879914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.879914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.879914 (E_RNA) where: Base-Base interactions energy: -1435.645 where: short stacking energy: -594.449 Base-Backbone interact. energy: -0.399 local terms energy: -651.836075 where: bonds (distance) C4'-P energy: -115.283 bonds (distance) P-C4' energy: -122.416 flat angles C4'-P-C4' energy: -135.562 flat angles P-C4'-P energy: -100.841 tors. eta vs tors. theta energy: -177.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1969.228960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.228960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.228960 (E_RNA) where: Base-Base interactions energy: -1371.677 where: short stacking energy: -564.699 Base-Backbone interact. energy: -2.102 local terms energy: -595.449903 where: bonds (distance) C4'-P energy: -123.232 bonds (distance) P-C4' energy: -113.956 flat angles C4'-P-C4' energy: -132.922 flat angles P-C4'-P energy: -85.863 tors. eta vs tors. theta energy: -139.477 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: 4, replica: 7 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1916.979195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.979195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.979195 (E_RNA) where: Base-Base interactions energy: -1307.235 where: short stacking energy: -558.545 Base-Backbone interact. energy: -0.789 local terms energy: -608.955043 where: bonds (distance) C4'-P energy: -125.323 bonds (distance) P-C4' energy: -124.657 flat angles C4'-P-C4' energy: -121.041 flat angles P-C4'-P energy: -68.370 tors. eta vs tors. theta energy: -169.564 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: 8 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1860.448869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.448869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.448869 (E_RNA) where: Base-Base interactions energy: -1273.238 where: short stacking energy: -563.179 Base-Backbone interact. energy: -0.889 local terms energy: -586.322044 where: bonds (distance) C4'-P energy: -113.879 bonds (distance) P-C4' energy: -107.499 flat angles C4'-P-C4' energy: -121.181 flat angles P-C4'-P energy: -94.533 tors. eta vs tors. theta energy: -149.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1678.857396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.857396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.857396 (E_RNA) where: Base-Base interactions energy: -1144.418 where: short stacking energy: -514.209 Base-Backbone interact. energy: -1.378 local terms energy: -533.061578 where: bonds (distance) C4'-P energy: -96.164 bonds (distance) P-C4' energy: -112.773 flat angles C4'-P-C4' energy: -117.319 flat angles P-C4'-P energy: -78.747 tors. eta vs tors. theta energy: -128.060 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: 178 Temperature: 1.200000 Total energy: -1486.383053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.383053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.383053 (E_RNA) where: Base-Base interactions energy: -986.244 where: short stacking energy: -440.380 Base-Backbone interact. energy: -2.757 local terms energy: -497.382326 where: bonds (distance) C4'-P energy: -100.844 bonds (distance) P-C4' energy: -94.574 flat angles C4'-P-C4' energy: -114.777 flat angles P-C4'-P energy: -69.604 tors. eta vs tors. theta energy: -117.584 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: 8, replica: 9 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1302.042270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.042270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.042270 (E_RNA) where: Base-Base interactions energy: -819.556 where: short stacking energy: -389.921 Base-Backbone interact. energy: -2.373 local terms energy: -480.113839 where: bonds (distance) C4'-P energy: -84.978 bonds (distance) P-C4' energy: -109.592 flat angles C4'-P-C4' energy: -116.550 flat angles P-C4'-P energy: -77.255 tors. eta vs tors. theta energy: -91.739 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: 1 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -881.738444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.738444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.738444 (E_RNA) where: Base-Base interactions energy: -516.834 where: short stacking energy: -260.333 Base-Backbone interact. energy: 3.368 local terms energy: -368.272742 where: bonds (distance) C4'-P energy: -88.367 bonds (distance) P-C4' energy: -87.840 flat angles C4'-P-C4' energy: -95.806 flat angles P-C4'-P energy: -56.824 tors. eta vs tors. theta energy: -39.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -573.900950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.900950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.900950 (E_RNA) where: Base-Base interactions energy: -237.601 where: short stacking energy: -176.226 Base-Backbone interact. energy: 2.197 local terms energy: -338.496611 where: bonds (distance) C4'-P energy: -91.793 bonds (distance) P-C4' energy: -104.116 flat angles C4'-P-C4' energy: -82.595 flat angles P-C4'-P energy: -43.587 tors. eta vs tors. theta energy: -16.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2184.316513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.316513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.316513 (E_RNA) where: Base-Base interactions energy: -1537.748 where: short stacking energy: -646.200 Base-Backbone interact. energy: -1.521 local terms energy: -645.046805 where: bonds (distance) C4'-P energy: -110.358 bonds (distance) P-C4' energy: -122.770 flat angles C4'-P-C4' energy: -137.947 flat angles P-C4'-P energy: -90.565 tors. eta vs tors. theta energy: -183.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2117.845019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.845019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.845019 (E_RNA) where: Base-Base interactions energy: -1461.049 where: short stacking energy: -619.882 Base-Backbone interact. energy: -1.423 local terms energy: -655.373153 where: bonds (distance) C4'-P energy: -110.272 bonds (distance) P-C4' energy: -125.301 flat angles C4'-P-C4' energy: -143.620 flat angles P-C4'-P energy: -97.237 tors. eta vs tors. theta energy: -178.943 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: 5 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1970.425921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.425921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.425921 (E_RNA) where: Base-Base interactions energy: -1391.010 where: short stacking energy: -577.119 Base-Backbone interact. energy: -2.235 local terms energy: -577.180414 where: bonds (distance) C4'-P energy: -115.422 bonds (distance) P-C4' energy: -108.331 flat angles C4'-P-C4' energy: -116.109 flat angles P-C4'-P energy: -86.809 tors. eta vs tors. theta energy: -150.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1928.906633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.906633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.906633 (E_RNA) where: Base-Base interactions energy: -1320.809 where: short stacking energy: -567.780 Base-Backbone interact. energy: -2.151 local terms energy: -605.946783 where: bonds (distance) C4'-P energy: -114.621 bonds (distance) P-C4' energy: -102.687 flat angles C4'-P-C4' energy: -132.338 flat angles P-C4'-P energy: -94.538 tors. eta vs tors. theta energy: -161.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1866.239276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.239276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.239276 (E_RNA) where: Base-Base interactions energy: -1281.414 where: short stacking energy: -570.134 Base-Backbone interact. energy: -0.881 local terms energy: -583.943845 where: bonds (distance) C4'-P energy: -79.838 bonds (distance) P-C4' energy: -121.262 flat angles C4'-P-C4' energy: -133.855 flat angles P-C4'-P energy: -82.310 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: 6 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1697.536494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.536494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.536494 (E_RNA) where: Base-Base interactions energy: -1142.162 where: short stacking energy: -534.470 Base-Backbone interact. energy: -1.439 local terms energy: -553.936202 where: bonds (distance) C4'-P energy: -103.379 bonds (distance) P-C4' energy: -107.172 flat angles C4'-P-C4' energy: -115.409 flat angles P-C4'-P energy: -80.896 tors. eta vs tors. theta energy: -147.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1473.082060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.082060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.082060 (E_RNA) where: Base-Base interactions energy: -966.797 where: short stacking energy: -440.937 Base-Backbone interact. energy: -2.146 local terms energy: -504.138416 where: bonds (distance) C4'-P energy: -108.069 bonds (distance) P-C4' energy: -111.591 flat angles C4'-P-C4' energy: -115.276 flat angles P-C4'-P energy: -49.525 tors. eta vs tors. theta energy: -119.677 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: 9 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1300.820323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.820323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.820323 (E_RNA) where: Base-Base interactions energy: -839.089 where: short stacking energy: -411.429 Base-Backbone interact. energy: 1.803 local terms energy: -463.534615 where: bonds (distance) C4'-P energy: -103.210 bonds (distance) P-C4' energy: -98.546 flat angles C4'-P-C4' energy: -96.460 flat angles P-C4'-P energy: -75.613 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: 9, replica: 1 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -844.381159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.381159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.381159 (E_RNA) where: Base-Base interactions energy: -471.136 where: short stacking energy: -213.510 Base-Backbone interact. energy: 0.777 local terms energy: -374.021983 where: bonds (distance) C4'-P energy: -100.320 bonds (distance) P-C4' energy: -101.561 flat angles C4'-P-C4' energy: -80.350 flat angles P-C4'-P energy: -65.972 tors. eta vs tors. theta energy: -25.819 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: 4 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -583.339453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.339453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.339453 (E_RNA) where: Base-Base interactions energy: -247.228 where: short stacking energy: -181.422 Base-Backbone interact. energy: -2.361 local terms energy: -333.750414 where: bonds (distance) C4'-P energy: -96.643 bonds (distance) P-C4' energy: -104.959 flat angles C4'-P-C4' energy: -92.272 flat angles P-C4'-P energy: -37.383 tors. eta vs tors. theta energy: -2.494 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: 2 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2181.420984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.420984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.420984 (E_RNA) where: Base-Base interactions energy: -1523.577 where: short stacking energy: -652.150 Base-Backbone interact. energy: -0.725 local terms energy: -657.118264 where: bonds (distance) C4'-P energy: -125.375 bonds (distance) P-C4' energy: -122.059 flat angles C4'-P-C4' energy: -146.248 flat angles P-C4'-P energy: -83.041 tors. eta vs tors. theta energy: -180.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2063.177881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.177881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.177881 (E_RNA) where: Base-Base interactions energy: -1434.785 where: short stacking energy: -594.453 Base-Backbone interact. energy: -4.501 local terms energy: -623.891571 where: bonds (distance) C4'-P energy: -121.023 bonds (distance) P-C4' energy: -119.300 flat angles C4'-P-C4' energy: -128.942 flat angles P-C4'-P energy: -86.658 tors. eta vs tors. theta energy: -167.968 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: 5 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2008.254639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.254639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.254639 (E_RNA) where: Base-Base interactions energy: -1395.661 where: short stacking energy: -569.799 Base-Backbone interact. energy: -0.753 local terms energy: -611.840335 where: bonds (distance) C4'-P energy: -125.815 bonds (distance) P-C4' energy: -117.521 flat angles C4'-P-C4' energy: -133.617 flat angles P-C4'-P energy: -85.089 tors. eta vs tors. theta energy: -149.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1930.293404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.293404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.293404 (E_RNA) where: Base-Base interactions energy: -1334.100 where: short stacking energy: -582.853 Base-Backbone interact. energy: -2.461 local terms energy: -593.732715 where: bonds (distance) C4'-P energy: -112.208 bonds (distance) P-C4' energy: -128.297 flat angles C4'-P-C4' energy: -116.792 flat angles P-C4'-P energy: -78.798 tors. eta vs tors. theta energy: -157.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1815.773380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.773380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.773380 (E_RNA) where: Base-Base interactions energy: -1248.914 where: short stacking energy: -548.742 Base-Backbone interact. energy: -2.328 local terms energy: -564.531699 where: bonds (distance) C4'-P energy: -116.768 bonds (distance) P-C4' energy: -91.388 flat angles C4'-P-C4' energy: -119.861 flat angles P-C4'-P energy: -84.551 tors. eta vs tors. theta energy: -151.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1708.088586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.088586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.088586 (E_RNA) where: Base-Base interactions energy: -1145.245 where: short stacking energy: -507.024 Base-Backbone interact. energy: -2.355 local terms energy: -560.488971 where: bonds (distance) C4'-P energy: -100.563 bonds (distance) P-C4' energy: -104.976 flat angles C4'-P-C4' energy: -138.086 flat angles P-C4'-P energy: -80.727 tors. eta vs tors. theta energy: -136.136 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: 7, replica: 10 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1466.983219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.983219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.983219 (E_RNA) where: Base-Base interactions energy: -989.241 where: short stacking energy: -435.258 Base-Backbone interact. energy: -2.582 local terms energy: -475.160868 where: bonds (distance) C4'-P energy: -102.925 bonds (distance) P-C4' energy: -99.569 flat angles C4'-P-C4' energy: -107.642 flat angles P-C4'-P energy: -62.501 tors. eta vs tors. theta energy: -102.524 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: 9 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1296.490289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.490289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.490289 (E_RNA) where: Base-Base interactions energy: -839.195 where: short stacking energy: -384.289 Base-Backbone interact. energy: 3.099 local terms energy: -460.393913 where: bonds (distance) C4'-P energy: -93.727 bonds (distance) P-C4' energy: -106.413 flat angles C4'-P-C4' energy: -115.898 flat angles P-C4'-P energy: -65.837 tors. eta vs tors. theta energy: -78.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -864.701388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.701388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.701388 (E_RNA) where: Base-Base interactions energy: -493.899 where: short stacking energy: -242.263 Base-Backbone interact. energy: -1.925 local terms energy: -368.876706 where: bonds (distance) C4'-P energy: -110.143 bonds (distance) P-C4' energy: -71.519 flat angles C4'-P-C4' energy: -92.057 flat angles P-C4'-P energy: -67.792 tors. eta vs tors. theta energy: -27.366 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: 4 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -532.627751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.627751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.627751 (E_RNA) where: Base-Base interactions energy: -258.458 where: short stacking energy: -169.179 Base-Backbone interact. energy: 7.463 local terms energy: -281.632944 where: bonds (distance) C4'-P energy: -87.512 bonds (distance) P-C4' energy: -98.066 flat angles C4'-P-C4' energy: -67.688 flat angles P-C4'-P energy: -49.242 tors. eta vs tors. theta energy: 20.875 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: 1, replica: 2 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2187.594810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.594810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.594810 (E_RNA) where: Base-Base interactions energy: -1544.450 where: short stacking energy: -641.637 Base-Backbone interact. energy: 2.156 local terms energy: -645.301535 where: bonds (distance) C4'-P energy: -138.449 bonds (distance) P-C4' energy: -113.557 flat angles C4'-P-C4' energy: -126.047 flat angles P-C4'-P energy: -94.329 tors. eta vs tors. theta energy: -172.919 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: 3 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2068.074883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.074883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.074883 (E_RNA) where: Base-Base interactions energy: -1448.617 where: short stacking energy: -614.848 Base-Backbone interact. energy: -1.454 local terms energy: -618.003860 where: bonds (distance) C4'-P energy: -125.074 bonds (distance) P-C4' energy: -101.221 flat angles C4'-P-C4' energy: -136.241 flat angles P-C4'-P energy: -88.935 tors. eta vs tors. theta energy: -166.532 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: 5 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2047.223034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.223034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.223034 (E_RNA) where: Base-Base interactions energy: -1432.015 where: short stacking energy: -573.695 Base-Backbone interact. energy: 0.401 local terms energy: -615.609455 where: bonds (distance) C4'-P energy: -115.042 bonds (distance) P-C4' energy: -123.039 flat angles C4'-P-C4' energy: -132.671 flat angles P-C4'-P energy: -83.490 tors. eta vs tors. theta energy: -161.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1916.905194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.905194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.905194 (E_RNA) where: Base-Base interactions energy: -1315.890 where: short stacking energy: -578.190 Base-Backbone interact. energy: -1.780 local terms energy: -599.234451 where: bonds (distance) C4'-P energy: -120.104 bonds (distance) P-C4' energy: -107.634 flat angles C4'-P-C4' energy: -126.433 flat angles P-C4'-P energy: -83.104 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: 5, replica: 7 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1839.034060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.034060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.034060 (E_RNA) where: Base-Base interactions energy: -1246.932 where: short stacking energy: -550.392 Base-Backbone interact. energy: -2.673 local terms energy: -589.429392 where: bonds (distance) C4'-P energy: -104.300 bonds (distance) P-C4' energy: -132.496 flat angles C4'-P-C4' energy: -125.948 flat angles P-C4'-P energy: -73.975 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: 6 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1698.507087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.507087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.507087 (E_RNA) where: Base-Base interactions energy: -1139.747 where: short stacking energy: -517.345 Base-Backbone interact. energy: 0.148 local terms energy: -558.908133 where: bonds (distance) C4'-P energy: -115.013 bonds (distance) P-C4' energy: -94.772 flat angles C4'-P-C4' energy: -120.702 flat angles P-C4'-P energy: -79.121 tors. eta vs tors. theta energy: -149.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1383.755571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.755571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.755571 (E_RNA) where: Base-Base interactions energy: -874.284 where: short stacking energy: -405.403 Base-Backbone interact. energy: -2.280 local terms energy: -507.191462 where: bonds (distance) C4'-P energy: -106.052 bonds (distance) P-C4' energy: -107.637 flat angles C4'-P-C4' energy: -115.060 flat angles P-C4'-P energy: -84.464 tors. eta vs tors. theta energy: -93.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1306.704299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.704299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.704299 (E_RNA) where: Base-Base interactions energy: -866.909 where: short stacking energy: -393.576 Base-Backbone interact. energy: -1.143 local terms energy: -438.652811 where: bonds (distance) C4'-P energy: -99.279 bonds (distance) P-C4' energy: -97.975 flat angles C4'-P-C4' energy: -95.462 flat angles P-C4'-P energy: -71.482 tors. eta vs tors. theta energy: -74.455 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: 1 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -915.983116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.983116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.983116 (E_RNA) where: Base-Base interactions energy: -547.691 where: short stacking energy: -274.043 Base-Backbone interact. energy: -2.511 local terms energy: -365.781183 where: bonds (distance) C4'-P energy: -86.279 bonds (distance) P-C4' energy: -93.248 flat angles C4'-P-C4' energy: -89.902 flat angles P-C4'-P energy: -67.297 tors. eta vs tors. theta energy: -29.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -499.569329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.569329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.569329 (E_RNA) where: Base-Base interactions energy: -197.827 where: short stacking energy: -148.825 Base-Backbone interact. energy: 1.115 local terms energy: -302.857285 where: bonds (distance) C4'-P energy: -95.779 bonds (distance) P-C4' energy: -104.545 flat angles C4'-P-C4' energy: -74.364 flat angles P-C4'-P energy: -59.385 tors. eta vs tors. theta energy: 31.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2168.565549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.565549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.565549 (E_RNA) where: Base-Base interactions energy: -1547.925 where: short stacking energy: -649.771 Base-Backbone interact. energy: 1.516 local terms energy: -622.156529 where: bonds (distance) C4'-P energy: -108.324 bonds (distance) P-C4' energy: -114.328 flat angles C4'-P-C4' energy: -146.007 flat angles P-C4'-P energy: -86.018 tors. eta vs tors. theta energy: -167.479 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: 3 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2076.467715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.467715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.467715 (E_RNA) where: Base-Base interactions energy: -1420.766 where: short stacking energy: -588.225 Base-Backbone interact. energy: -1.676 local terms energy: -654.025358 where: bonds (distance) C4'-P energy: -123.470 bonds (distance) P-C4' energy: -125.946 flat angles C4'-P-C4' energy: -146.542 flat angles P-C4'-P energy: -84.570 tors. eta vs tors. theta energy: -173.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2012.710954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.710954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.710954 (E_RNA) where: Base-Base interactions energy: -1417.414 where: short stacking energy: -584.838 Base-Backbone interact. energy: -2.217 local terms energy: -593.079543 where: bonds (distance) C4'-P energy: -105.276 bonds (distance) P-C4' energy: -123.400 flat angles C4'-P-C4' energy: -128.965 flat angles P-C4'-P energy: -82.168 tors. eta vs tors. theta energy: -153.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1889.479770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.479770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.479770 (E_RNA) where: Base-Base interactions energy: -1278.024 where: short stacking energy: -570.445 Base-Backbone interact. energy: -4.518 local terms energy: -606.937679 where: bonds (distance) C4'-P energy: -122.707 bonds (distance) P-C4' energy: -114.601 flat angles C4'-P-C4' energy: -122.656 flat angles P-C4'-P energy: -90.328 tors. eta vs tors. theta energy: -156.645 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: 7 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1803.801805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.801805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.801805 (E_RNA) where: Base-Base interactions energy: -1232.704 where: short stacking energy: -527.580 Base-Backbone interact. energy: -1.288 local terms energy: -569.809651 where: bonds (distance) C4'-P energy: -105.655 bonds (distance) P-C4' energy: -114.104 flat angles C4'-P-C4' energy: -121.378 flat angles P-C4'-P energy: -79.622 tors. eta vs tors. theta energy: -149.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1693.575836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.575836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.575836 (E_RNA) where: Base-Base interactions energy: -1111.102 where: short stacking energy: -497.667 Base-Backbone interact. energy: -1.271 local terms energy: -581.202745 where: bonds (distance) C4'-P energy: -113.104 bonds (distance) P-C4' energy: -118.241 flat angles C4'-P-C4' energy: -125.882 flat angles P-C4'-P energy: -84.571 tors. eta vs tors. theta energy: -139.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1414.668536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.668536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.668536 (E_RNA) where: Base-Base interactions energy: -899.438 where: short stacking energy: -431.395 Base-Backbone interact. energy: 5.126 local terms energy: -520.356483 where: bonds (distance) C4'-P energy: -104.149 bonds (distance) P-C4' energy: -107.067 flat angles C4'-P-C4' energy: -119.033 flat angles P-C4'-P energy: -77.961 tors. eta vs tors. theta energy: -112.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1393.887390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.887390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.887390 (E_RNA) where: Base-Base interactions energy: -923.097 where: short stacking energy: -397.564 Base-Backbone interact. energy: 1.064 local terms energy: -471.855011 where: bonds (distance) C4'-P energy: -95.068 bonds (distance) P-C4' energy: -96.841 flat angles C4'-P-C4' energy: -100.069 flat angles P-C4'-P energy: -82.054 tors. eta vs tors. theta energy: -97.823 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: 1 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -946.150647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.150647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.150647 (E_RNA) where: Base-Base interactions energy: -577.949 where: short stacking energy: -279.693 Base-Backbone interact. energy: -2.409 local terms energy: -365.793187 where: bonds (distance) C4'-P energy: -71.873 bonds (distance) P-C4' energy: -94.611 flat angles C4'-P-C4' energy: -92.661 flat angles P-C4'-P energy: -64.261 tors. eta vs tors. theta energy: -42.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -481.143612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.143612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.143612 (E_RNA) where: Base-Base interactions energy: -213.703 where: short stacking energy: -120.865 Base-Backbone interact. energy: 1.875 local terms energy: -269.315522 where: bonds (distance) C4'-P energy: -81.420 bonds (distance) P-C4' energy: -97.133 flat angles C4'-P-C4' energy: -80.335 flat angles P-C4'-P energy: -50.020 tors. eta vs tors. theta energy: 39.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2179.633168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.633168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.633168 (E_RNA) where: Base-Base interactions energy: -1512.210 where: short stacking energy: -626.778 Base-Backbone interact. energy: -3.820 local terms energy: -663.603890 where: bonds (distance) C4'-P energy: -119.173 bonds (distance) P-C4' energy: -131.703 flat angles C4'-P-C4' energy: -142.404 flat angles P-C4'-P energy: -90.117 tors. eta vs tors. theta energy: -180.207 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: 2, replica: 3 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2058.429469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.429469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.429469 (E_RNA) where: Base-Base interactions energy: -1424.762 where: short stacking energy: -606.473 Base-Backbone interact. energy: -6.884 local terms energy: -626.783811 where: bonds (distance) C4'-P energy: -113.086 bonds (distance) P-C4' energy: -125.016 flat angles C4'-P-C4' energy: -135.242 flat angles P-C4'-P energy: -90.125 tors. eta vs tors. theta energy: -163.315 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: 5 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2028.284861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.284861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.284861 (E_RNA) where: Base-Base interactions energy: -1411.168 where: short stacking energy: -597.846 Base-Backbone interact. energy: -3.715 local terms energy: -613.401422 where: bonds (distance) C4'-P energy: -112.703 bonds (distance) P-C4' energy: -116.812 flat angles C4'-P-C4' energy: -133.496 flat angles P-C4'-P energy: -85.052 tors. eta vs tors. theta energy: -165.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1924.980756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.980756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.980756 (E_RNA) where: Base-Base interactions energy: -1337.914 where: short stacking energy: -592.052 Base-Backbone interact. energy: -0.991 local terms energy: -586.076042 where: bonds (distance) C4'-P energy: -116.775 bonds (distance) P-C4' energy: -115.279 flat angles C4'-P-C4' energy: -111.190 flat angles P-C4'-P energy: -75.843 tors. eta vs tors. theta energy: -166.988 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: 7 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1777.462099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.462099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.462099 (E_RNA) where: Base-Base interactions energy: -1222.987 where: short stacking energy: -517.756 Base-Backbone interact. energy: 5.158 local terms energy: -559.633221 where: bonds (distance) C4'-P energy: -113.676 bonds (distance) P-C4' energy: -94.926 flat angles C4'-P-C4' energy: -135.335 flat angles P-C4'-P energy: -73.338 tors. eta vs tors. theta energy: -142.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1667.473012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.473012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.473012 (E_RNA) where: Base-Base interactions energy: -1131.407 where: short stacking energy: -490.730 Base-Backbone interact. energy: -2.656 local terms energy: -533.410709 where: bonds (distance) C4'-P energy: -96.707 bonds (distance) P-C4' energy: -123.646 flat angles C4'-P-C4' energy: -111.371 flat angles P-C4'-P energy: -70.262 tors. eta vs tors. theta energy: -131.425 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: 7, replica: 9 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1407.132097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.132097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.132097 (E_RNA) where: Base-Base interactions energy: -903.915 where: short stacking energy: -411.657 Base-Backbone interact. energy: -2.399 local terms energy: -500.818437 where: bonds (distance) C4'-P energy: -100.415 bonds (distance) P-C4' energy: -113.790 flat angles C4'-P-C4' energy: -118.797 flat angles P-C4'-P energy: -61.186 tors. eta vs tors. theta energy: -106.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1397.186237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.186237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.186237 (E_RNA) where: Base-Base interactions energy: -909.396 where: short stacking energy: -406.407 Base-Backbone interact. energy: -1.491 local terms energy: -486.298779 where: bonds (distance) C4'-P energy: -92.050 bonds (distance) P-C4' energy: -117.280 flat angles C4'-P-C4' energy: -105.091 flat angles P-C4'-P energy: -69.207 tors. eta vs tors. theta energy: -102.671 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: 1 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -897.872373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.872373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.872373 (E_RNA) where: Base-Base interactions energy: -561.537 where: short stacking energy: -270.293 Base-Backbone interact. energy: -1.989 local terms energy: -334.346646 where: bonds (distance) C4'-P energy: -92.819 bonds (distance) P-C4' energy: -79.179 flat angles C4'-P-C4' energy: -79.517 flat angles P-C4'-P energy: -48.387 tors. eta vs tors. theta energy: -34.445 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: 4 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -562.222626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.222626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.222626 (E_RNA) where: Base-Base interactions energy: -254.487 where: short stacking energy: -194.456 Base-Backbone interact. energy: 0.544 local terms energy: -308.279571 where: bonds (distance) C4'-P energy: -92.204 bonds (distance) P-C4' energy: -100.348 flat angles C4'-P-C4' energy: -57.756 flat angles P-C4'-P energy: -43.314 tors. eta vs tors. theta energy: -14.658 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: 184 Temperature: 0.900000 Total energy: -2184.930453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.930453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.930453 (E_RNA) where: Base-Base interactions energy: -1520.986 where: short stacking energy: -646.894 Base-Backbone interact. energy: -2.002 local terms energy: -661.942507 where: bonds (distance) C4'-P energy: -129.255 bonds (distance) P-C4' energy: -130.121 flat angles C4'-P-C4' energy: -141.539 flat angles P-C4'-P energy: -86.093 tors. eta vs tors. theta energy: -174.935 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: 3 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2076.885439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.885439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.885439 (E_RNA) where: Base-Base interactions energy: -1445.632 where: short stacking energy: -631.682 Base-Backbone interact. energy: -3.396 local terms energy: -627.856682 where: bonds (distance) C4'-P energy: -107.202 bonds (distance) P-C4' energy: -128.037 flat angles C4'-P-C4' energy: -138.621 flat angles P-C4'-P energy: -68.154 tors. eta vs tors. theta energy: -185.842 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: 5 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2023.885981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.885981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.885981 (E_RNA) where: Base-Base interactions energy: -1401.194 where: short stacking energy: -572.756 Base-Backbone interact. energy: -2.879 local terms energy: -619.813816 where: bonds (distance) C4'-P energy: -114.850 bonds (distance) P-C4' energy: -127.717 flat angles C4'-P-C4' energy: -141.430 flat angles P-C4'-P energy: -81.254 tors. eta vs tors. theta energy: -154.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1924.120602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.120602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.120602 (E_RNA) where: Base-Base interactions energy: -1308.709 where: short stacking energy: -581.534 Base-Backbone interact. energy: 5.793 local terms energy: -621.204516 where: bonds (distance) C4'-P energy: -112.914 bonds (distance) P-C4' energy: -104.165 flat angles C4'-P-C4' energy: -133.514 flat angles P-C4'-P energy: -94.161 tors. eta vs tors. theta energy: -176.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1791.448156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.448156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.448156 (E_RNA) where: Base-Base interactions energy: -1226.851 where: short stacking energy: -526.638 Base-Backbone interact. energy: 1.348 local terms energy: -565.945312 where: bonds (distance) C4'-P energy: -109.294 bonds (distance) P-C4' energy: -123.845 flat angles C4'-P-C4' energy: -123.358 flat angles P-C4'-P energy: -71.584 tors. eta vs tors. theta energy: -137.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1645.745303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.745303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.745303 (E_RNA) where: Base-Base interactions energy: -1129.020 where: short stacking energy: -507.551 Base-Backbone interact. energy: -1.983 local terms energy: -514.741643 where: bonds (distance) C4'-P energy: -104.285 bonds (distance) P-C4' energy: -110.304 flat angles C4'-P-C4' energy: -116.917 flat angles P-C4'-P energy: -68.375 tors. eta vs tors. theta energy: -114.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1372.961141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.961141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.961141 (E_RNA) where: Base-Base interactions energy: -902.514 where: short stacking energy: -390.387 Base-Backbone interact. energy: -2.075 local terms energy: -468.372239 where: bonds (distance) C4'-P energy: -100.247 bonds (distance) P-C4' energy: -100.376 flat angles C4'-P-C4' energy: -102.195 flat angles P-C4'-P energy: -79.530 tors. eta vs tors. theta energy: -86.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1380.948957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.948957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.948957 (E_RNA) where: Base-Base interactions energy: -913.270 where: short stacking energy: -417.113 Base-Backbone interact. energy: -2.613 local terms energy: -465.065950 where: bonds (distance) C4'-P energy: -91.081 bonds (distance) P-C4' energy: -107.577 flat angles C4'-P-C4' energy: -114.489 flat angles P-C4'-P energy: -55.502 tors. eta vs tors. theta energy: -96.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -924.511337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.511337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.511337 (E_RNA) where: Base-Base interactions energy: -567.420 where: short stacking energy: -258.468 Base-Backbone interact. energy: -0.608 local terms energy: -356.483250 where: bonds (distance) C4'-P energy: -88.566 bonds (distance) P-C4' energy: -102.965 flat angles C4'-P-C4' energy: -104.702 flat angles P-C4'-P energy: -43.986 tors. eta vs tors. theta energy: -16.264 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: 4 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -586.294648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.294648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.294648 (E_RNA) where: Base-Base interactions energy: -270.589 where: short stacking energy: -186.041 Base-Backbone interact. energy: -1.791 local terms energy: -313.914764 where: bonds (distance) C4'-P energy: -90.657 bonds (distance) P-C4' energy: -90.618 flat angles C4'-P-C4' energy: -82.884 flat angles P-C4'-P energy: -62.318 tors. eta vs tors. theta energy: 12.562 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: 2 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2179.385544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.385544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.385544 (E_RNA) where: Base-Base interactions energy: -1514.235 where: short stacking energy: -646.407 Base-Backbone interact. energy: -1.208 local terms energy: -663.942287 where: bonds (distance) C4'-P energy: -126.968 bonds (distance) P-C4' energy: -133.453 flat angles C4'-P-C4' energy: -139.350 flat angles P-C4'-P energy: -93.799 tors. eta vs tors. theta energy: -170.372 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: 2, replica: 3 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2066.747634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.747634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.747634 (E_RNA) where: Base-Base interactions energy: -1436.373 where: short stacking energy: -612.473 Base-Backbone interact. energy: -2.909 local terms energy: -627.465078 where: bonds (distance) C4'-P energy: -121.430 bonds (distance) P-C4' energy: -116.812 flat angles C4'-P-C4' energy: -141.327 flat angles P-C4'-P energy: -72.354 tors. eta vs tors. theta energy: -175.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2001.374391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.374391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.374391 (E_RNA) where: Base-Base interactions energy: -1391.776 where: short stacking energy: -578.868 Base-Backbone interact. energy: 0.717 local terms energy: -610.314960 where: bonds (distance) C4'-P energy: -107.059 bonds (distance) P-C4' energy: -126.971 flat angles C4'-P-C4' energy: -137.449 flat angles P-C4'-P energy: -90.052 tors. eta vs tors. theta energy: -148.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1933.409163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.409163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.409163 (E_RNA) where: Base-Base interactions energy: -1324.289 where: short stacking energy: -587.893 Base-Backbone interact. energy: -4.819 local terms energy: -604.301625 where: bonds (distance) C4'-P energy: -123.658 bonds (distance) P-C4' energy: -103.627 flat angles C4'-P-C4' energy: -121.255 flat angles P-C4'-P energy: -84.293 tors. eta vs tors. theta energy: -171.469 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: 7 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1752.545862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.545862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.545862 (E_RNA) where: Base-Base interactions energy: -1202.285 where: short stacking energy: -538.329 Base-Backbone interact. energy: -2.477 local terms energy: -547.782954 where: bonds (distance) C4'-P energy: -108.809 bonds (distance) P-C4' energy: -124.103 flat angles C4'-P-C4' energy: -102.112 flat angles P-C4'-P energy: -74.817 tors. eta vs tors. theta energy: -137.942 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: 6 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1687.860584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.860584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.860584 (E_RNA) where: Base-Base interactions energy: -1149.490 where: short stacking energy: -533.625 Base-Backbone interact. energy: 1.429 local terms energy: -539.799043 where: bonds (distance) C4'-P energy: -101.392 bonds (distance) P-C4' energy: -102.655 flat angles C4'-P-C4' energy: -125.564 flat angles P-C4'-P energy: -73.446 tors. eta vs tors. theta energy: -136.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1482.537260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.537260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.537260 (E_RNA) where: Base-Base interactions energy: -995.980 where: short stacking energy: -441.638 Base-Backbone interact. energy: 4.193 local terms energy: -490.749852 where: bonds (distance) C4'-P energy: -104.736 bonds (distance) P-C4' energy: -109.581 flat angles C4'-P-C4' energy: -105.072 flat angles P-C4'-P energy: -62.544 tors. eta vs tors. theta energy: -108.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1378.387639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.387639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.387639 (E_RNA) where: Base-Base interactions energy: -891.516 where: short stacking energy: -418.246 Base-Backbone interact. energy: -1.803 local terms energy: -485.068814 where: bonds (distance) C4'-P energy: -95.577 bonds (distance) P-C4' energy: -104.963 flat angles C4'-P-C4' energy: -107.581 flat angles P-C4'-P energy: -74.136 tors. eta vs tors. theta energy: -102.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -912.819534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.819534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.819534 (E_RNA) where: Base-Base interactions energy: -516.575 where: short stacking energy: -262.310 Base-Backbone interact. energy: 2.600 local terms energy: -398.844582 where: bonds (distance) C4'-P energy: -80.697 bonds (distance) P-C4' energy: -115.384 flat angles C4'-P-C4' energy: -115.317 flat angles P-C4'-P energy: -48.346 tors. eta vs tors. theta energy: -39.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -577.674498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.674498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.674498 (E_RNA) where: Base-Base interactions energy: -259.734 where: short stacking energy: -161.544 Base-Backbone interact. energy: 3.718 local terms energy: -321.658637 where: bonds (distance) C4'-P energy: -81.034 bonds (distance) P-C4' energy: -120.979 flat angles C4'-P-C4' energy: -98.539 flat angles P-C4'-P energy: -29.366 tors. eta vs tors. theta energy: 8.258 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: 186 Temperature: 0.900000 Total energy: -2174.282909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.282909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.282909 (E_RNA) where: Base-Base interactions energy: -1540.728 where: short stacking energy: -656.359 Base-Backbone interact. energy: -0.595 local terms energy: -632.959674 where: bonds (distance) C4'-P energy: -120.180 bonds (distance) P-C4' energy: -116.889 flat angles C4'-P-C4' energy: -141.684 flat angles P-C4'-P energy: -79.470 tors. eta vs tors. theta energy: -174.737 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: 3 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2074.902932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.902932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.902932 (E_RNA) where: Base-Base interactions energy: -1420.821 where: short stacking energy: -615.702 Base-Backbone interact. energy: -3.010 local terms energy: -651.071198 where: bonds (distance) C4'-P energy: -115.025 bonds (distance) P-C4' energy: -122.792 flat angles C4'-P-C4' energy: -145.477 flat angles P-C4'-P energy: -80.051 tors. eta vs tors. theta energy: -187.726 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: 5 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1996.020351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.020351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.020351 (E_RNA) where: Base-Base interactions energy: -1403.072 where: short stacking energy: -603.888 Base-Backbone interact. energy: -1.244 local terms energy: -591.704677 where: bonds (distance) C4'-P energy: -114.115 bonds (distance) P-C4' energy: -111.624 flat angles C4'-P-C4' energy: -134.098 flat angles P-C4'-P energy: -82.794 tors. eta vs tors. theta energy: -149.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1924.376110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.376110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.376110 (E_RNA) where: Base-Base interactions energy: -1325.822 where: short stacking energy: -582.573 Base-Backbone interact. energy: 0.669 local terms energy: -599.222705 where: bonds (distance) C4'-P energy: -99.751 bonds (distance) P-C4' energy: -114.094 flat angles C4'-P-C4' energy: -128.196 flat angles P-C4'-P energy: -92.914 tors. eta vs tors. theta energy: -164.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1774.259652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.259652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.259652 (E_RNA) where: Base-Base interactions energy: -1215.471 where: short stacking energy: -519.085 Base-Backbone interact. energy: -3.859 local terms energy: -554.930107 where: bonds (distance) C4'-P energy: -102.632 bonds (distance) P-C4' energy: -101.355 flat angles C4'-P-C4' energy: -130.655 flat angles P-C4'-P energy: -82.261 tors. eta vs tors. theta energy: -138.026 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: 186 Temperature: 1.150000 Total energy: -1640.761375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.761375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.761375 (E_RNA) where: Base-Base interactions energy: -1115.396 where: short stacking energy: -495.987 Base-Backbone interact. energy: -1.906 local terms energy: -523.459210 where: bonds (distance) C4'-P energy: -100.705 bonds (distance) P-C4' energy: -100.893 flat angles C4'-P-C4' energy: -124.342 flat angles P-C4'-P energy: -67.280 tors. eta vs tors. theta energy: -130.239 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: 186 Temperature: 1.200000 Total energy: -1496.336787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.336787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.336787 (E_RNA) where: Base-Base interactions energy: -1003.458 where: short stacking energy: -437.945 Base-Backbone interact. energy: -1.869 local terms energy: -491.009918 where: bonds (distance) C4'-P energy: -99.555 bonds (distance) P-C4' energy: -98.169 flat angles C4'-P-C4' energy: -102.014 flat angles P-C4'-P energy: -77.202 tors. eta vs tors. theta energy: -114.071 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: 9 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1279.345624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.345624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.345624 (E_RNA) where: Base-Base interactions energy: -824.986 where: short stacking energy: -387.542 Base-Backbone interact. energy: -1.688 local terms energy: -452.671436 where: bonds (distance) C4'-P energy: -107.449 bonds (distance) P-C4' energy: -102.332 flat angles C4'-P-C4' energy: -95.023 flat angles P-C4'-P energy: -71.589 tors. eta vs tors. theta energy: -76.278 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: 1 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -870.303686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.303686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.303686 (E_RNA) where: Base-Base interactions energy: -508.235 where: short stacking energy: -261.128 Base-Backbone interact. energy: -2.089 local terms energy: -359.979835 where: bonds (distance) C4'-P energy: -87.313 bonds (distance) P-C4' energy: -100.155 flat angles C4'-P-C4' energy: -97.033 flat angles P-C4'-P energy: -43.881 tors. eta vs tors. theta energy: -31.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -511.286462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.286462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.286462 (E_RNA) where: Base-Base interactions energy: -176.367 where: short stacking energy: -143.042 Base-Backbone interact. energy: 5.425 local terms energy: -340.343720 where: bonds (distance) C4'-P energy: -98.325 bonds (distance) P-C4' energy: -108.739 flat angles C4'-P-C4' energy: -71.516 flat angles P-C4'-P energy: -62.570 tors. eta vs tors. theta energy: 0.806 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: 1, replica: 2 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2161.527935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.527935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.527935 (E_RNA) where: Base-Base interactions energy: -1508.921 where: short stacking energy: -639.158 Base-Backbone interact. energy: -2.356 local terms energy: -650.250894 where: bonds (distance) C4'-P energy: -120.033 bonds (distance) P-C4' energy: -130.153 flat angles C4'-P-C4' energy: -137.867 flat angles P-C4'-P energy: -87.309 tors. eta vs tors. theta energy: -174.889 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: 3 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2078.767047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.767047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.767047 (E_RNA) where: Base-Base interactions energy: -1451.317 where: short stacking energy: -617.417 Base-Backbone interact. energy: -3.028 local terms energy: -624.421416 where: bonds (distance) C4'-P energy: -119.837 bonds (distance) P-C4' energy: -107.743 flat angles C4'-P-C4' energy: -136.054 flat angles P-C4'-P energy: -89.740 tors. eta vs tors. theta energy: -171.047 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: 3, replica: 5 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2039.807612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.807612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.807612 (E_RNA) where: Base-Base interactions energy: -1417.434 where: short stacking energy: -609.793 Base-Backbone interact. energy: -1.417 local terms energy: -620.956217 where: bonds (distance) C4'-P energy: -112.772 bonds (distance) P-C4' energy: -123.023 flat angles C4'-P-C4' energy: -125.228 flat angles P-C4'-P energy: -86.181 tors. eta vs tors. theta energy: -173.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1909.080487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.080487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.080487 (E_RNA) where: Base-Base interactions energy: -1301.927 where: short stacking energy: -568.240 Base-Backbone interact. energy: -2.858 local terms energy: -604.295416 where: bonds (distance) C4'-P energy: -114.934 bonds (distance) P-C4' energy: -121.193 flat angles C4'-P-C4' energy: -127.455 flat angles P-C4'-P energy: -91.636 tors. eta vs tors. theta energy: -149.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1796.603616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.603616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.603616 (E_RNA) where: Base-Base interactions energy: -1253.267 where: short stacking energy: -543.340 Base-Backbone interact. energy: -0.765 local terms energy: -542.571182 where: bonds (distance) C4'-P energy: -108.175 bonds (distance) P-C4' energy: -103.458 flat angles C4'-P-C4' energy: -120.768 flat angles P-C4'-P energy: -70.354 tors. eta vs tors. theta energy: -139.816 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: 6 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1720.168147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.168147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.168147 (E_RNA) where: Base-Base interactions energy: -1172.086 where: short stacking energy: -511.127 Base-Backbone interact. energy: -2.015 local terms energy: -546.067477 where: bonds (distance) C4'-P energy: -97.736 bonds (distance) P-C4' energy: -102.562 flat angles C4'-P-C4' energy: -126.482 flat angles P-C4'-P energy: -76.025 tors. eta vs tors. theta energy: -143.262 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: 187 Temperature: 1.200000 Total energy: -1486.140703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.140703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.140703 (E_RNA) where: Base-Base interactions energy: -966.299 where: short stacking energy: -449.619 Base-Backbone interact. energy: -4.323 local terms energy: -515.519391 where: bonds (distance) C4'-P energy: -89.416 bonds (distance) P-C4' energy: -113.719 flat angles C4'-P-C4' energy: -123.012 flat angles P-C4'-P energy: -74.769 tors. eta vs tors. theta energy: -114.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1142.128449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.128449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.128449 (E_RNA) where: Base-Base interactions energy: -742.322 where: short stacking energy: -374.417 Base-Backbone interact. energy: -0.703 local terms energy: -399.104150 where: bonds (distance) C4'-P energy: -78.855 bonds (distance) P-C4' energy: -101.357 flat angles C4'-P-C4' energy: -91.172 flat angles P-C4'-P energy: -63.273 tors. eta vs tors. theta energy: -64.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -858.811084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.811084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.811084 (E_RNA) where: Base-Base interactions energy: -485.291 where: short stacking energy: -239.863 Base-Backbone interact. energy: 1.034 local terms energy: -374.553986 where: bonds (distance) C4'-P energy: -96.217 bonds (distance) P-C4' energy: -110.535 flat angles C4'-P-C4' energy: -88.571 flat angles P-C4'-P energy: -50.472 tors. eta vs tors. theta energy: -28.759 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: 4 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -525.161547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.161547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.161547 (E_RNA) where: Base-Base interactions energy: -224.352 where: short stacking energy: -158.663 Base-Backbone interact. energy: 4.855 local terms energy: -305.665124 where: bonds (distance) C4'-P energy: -80.815 bonds (distance) P-C4' energy: -103.623 flat angles C4'-P-C4' energy: -79.790 flat angles P-C4'-P energy: -49.596 tors. eta vs tors. theta energy: 8.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2137.345941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.345941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.345941 (E_RNA) where: Base-Base interactions energy: -1491.298 where: short stacking energy: -638.029 Base-Backbone interact. energy: 1.828 local terms energy: -647.875754 where: bonds (distance) C4'-P energy: -108.903 bonds (distance) P-C4' energy: -128.976 flat angles C4'-P-C4' energy: -135.353 flat angles P-C4'-P energy: -95.133 tors. eta vs tors. theta energy: -179.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2132.503828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.503828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.503828 (E_RNA) where: Base-Base interactions energy: -1484.863 where: short stacking energy: -627.300 Base-Backbone interact. energy: -0.641 local terms energy: -647.000017 where: bonds (distance) C4'-P energy: -118.147 bonds (distance) P-C4' energy: -131.832 flat angles C4'-P-C4' energy: -130.748 flat angles P-C4'-P energy: -84.589 tors. eta vs tors. theta energy: -181.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2034.149770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.149770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.149770 (E_RNA) where: Base-Base interactions energy: -1413.831 where: short stacking energy: -595.926 Base-Backbone interact. energy: 1.645 local terms energy: -621.963787 where: bonds (distance) C4'-P energy: -118.558 bonds (distance) P-C4' energy: -113.947 flat angles C4'-P-C4' energy: -124.339 flat angles P-C4'-P energy: -94.814 tors. eta vs tors. theta energy: -170.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1968.205102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.205102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.205102 (E_RNA) where: Base-Base interactions energy: -1353.310 where: short stacking energy: -604.146 Base-Backbone interact. energy: -2.161 local terms energy: -612.734204 where: bonds (distance) C4'-P energy: -111.639 bonds (distance) P-C4' energy: -111.457 flat angles C4'-P-C4' energy: -139.043 flat angles P-C4'-P energy: -81.865 tors. eta vs tors. theta energy: -168.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1799.292320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.292320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.292320 (E_RNA) where: Base-Base interactions energy: -1263.910 where: short stacking energy: -531.301 Base-Backbone interact. energy: -0.797 local terms energy: -534.584631 where: bonds (distance) C4'-P energy: -107.726 bonds (distance) P-C4' energy: -109.796 flat angles C4'-P-C4' energy: -122.683 flat angles P-C4'-P energy: -58.159 tors. eta vs tors. theta energy: -136.220 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: 6 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1660.072971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.072971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.072971 (E_RNA) where: Base-Base interactions energy: -1112.080 where: short stacking energy: -507.064 Base-Backbone interact. energy: 3.550 local terms energy: -551.543402 where: bonds (distance) C4'-P energy: -104.820 bonds (distance) P-C4' energy: -110.717 flat angles C4'-P-C4' energy: -116.795 flat angles P-C4'-P energy: -81.047 tors. eta vs tors. theta energy: -138.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1498.656710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.656710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.656710 (E_RNA) where: Base-Base interactions energy: -974.611 where: short stacking energy: -438.967 Base-Backbone interact. energy: -2.590 local terms energy: -521.456092 where: bonds (distance) C4'-P energy: -109.303 bonds (distance) P-C4' energy: -111.684 flat angles C4'-P-C4' energy: -115.065 flat angles P-C4'-P energy: -77.812 tors. eta vs tors. theta energy: -107.592 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: 9 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1131.986194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.986194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.986194 (E_RNA) where: Base-Base interactions energy: -688.467 where: short stacking energy: -340.631 Base-Backbone interact. energy: -1.451 local terms energy: -442.067760 where: bonds (distance) C4'-P energy: -103.431 bonds (distance) P-C4' energy: -102.018 flat angles C4'-P-C4' energy: -98.344 flat angles P-C4'-P energy: -67.881 tors. eta vs tors. theta energy: -70.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -824.511291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.511291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.511291 (E_RNA) where: Base-Base interactions energy: -485.745 where: short stacking energy: -262.791 Base-Backbone interact. energy: -2.146 local terms energy: -336.620670 where: bonds (distance) C4'-P energy: -100.991 bonds (distance) P-C4' energy: -103.701 flat angles C4'-P-C4' energy: -71.917 flat angles P-C4'-P energy: -42.744 tors. eta vs tors. theta energy: -17.267 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: 4 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -553.751265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.751265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.751265 (E_RNA) where: Base-Base interactions energy: -264.934 where: short stacking energy: -161.628 Base-Backbone interact. energy: 6.439 local terms energy: -295.256152 where: bonds (distance) C4'-P energy: -85.725 bonds (distance) P-C4' energy: -77.716 flat angles C4'-P-C4' energy: -104.979 flat angles P-C4'-P energy: -42.435 tors. eta vs tors. theta energy: 15.598 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: 3 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2155.698268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.698268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.698268 (E_RNA) where: Base-Base interactions energy: -1491.486 where: short stacking energy: -634.881 Base-Backbone interact. energy: -4.572 local terms energy: -659.640347 where: bonds (distance) C4'-P energy: -109.221 bonds (distance) P-C4' energy: -129.100 flat angles C4'-P-C4' energy: -140.880 flat angles P-C4'-P energy: -94.691 tors. eta vs tors. theta energy: -185.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2150.226425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.226425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.226425 (E_RNA) where: Base-Base interactions energy: -1520.273 where: short stacking energy: -657.141 Base-Backbone interact. energy: -0.872 local terms energy: -629.081408 where: bonds (distance) C4'-P energy: -107.891 bonds (distance) P-C4' energy: -118.299 flat angles C4'-P-C4' energy: -142.398 flat angles P-C4'-P energy: -80.484 tors. eta vs tors. theta energy: -180.010 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: 5 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2015.059344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.059344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.059344 (E_RNA) where: Base-Base interactions energy: -1391.005 where: short stacking energy: -590.930 Base-Backbone interact. energy: -0.686 local terms energy: -623.368489 where: bonds (distance) C4'-P energy: -112.690 bonds (distance) P-C4' energy: -118.973 flat angles C4'-P-C4' energy: -131.297 flat angles P-C4'-P energy: -98.027 tors. eta vs tors. theta energy: -162.381 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: 8 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1987.704809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.704809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.704809 (E_RNA) where: Base-Base interactions energy: -1360.667 where: short stacking energy: -616.176 Base-Backbone interact. energy: -0.642 local terms energy: -626.395851 where: bonds (distance) C4'-P energy: -122.947 bonds (distance) P-C4' energy: -111.503 flat angles C4'-P-C4' energy: -128.809 flat angles P-C4'-P energy: -88.329 tors. eta vs tors. theta energy: -174.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1781.673559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.673559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.673559 (E_RNA) where: Base-Base interactions energy: -1207.058 where: short stacking energy: -546.499 Base-Backbone interact. energy: -1.522 local terms energy: -573.092797 where: bonds (distance) C4'-P energy: -108.521 bonds (distance) P-C4' energy: -90.652 flat angles C4'-P-C4' energy: -131.162 flat angles P-C4'-P energy: -86.494 tors. eta vs tors. theta energy: -156.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1669.461713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.461713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.461713 (E_RNA) where: Base-Base interactions energy: -1129.219 where: short stacking energy: -526.532 Base-Backbone interact. energy: -0.582 local terms energy: -539.660234 where: bonds (distance) C4'-P energy: -96.186 bonds (distance) P-C4' energy: -106.837 flat angles C4'-P-C4' energy: -113.627 flat angles P-C4'-P energy: -75.357 tors. eta vs tors. theta energy: -147.653 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: 189 Temperature: 1.200000 Total energy: -1513.270406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.270406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.270406 (E_RNA) where: Base-Base interactions energy: -975.254 where: short stacking energy: -425.165 Base-Backbone interact. energy: -1.026 local terms energy: -536.991168 where: bonds (distance) C4'-P energy: -112.118 bonds (distance) P-C4' energy: -110.452 flat angles C4'-P-C4' energy: -118.379 flat angles P-C4'-P energy: -84.617 tors. eta vs tors. theta energy: -111.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1120.183008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.183008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.183008 (E_RNA) where: Base-Base interactions energy: -692.413 where: short stacking energy: -333.432 Base-Backbone interact. energy: 1.058 local terms energy: -428.828427 where: bonds (distance) C4'-P energy: -107.540 bonds (distance) P-C4' energy: -92.612 flat angles C4'-P-C4' energy: -107.640 flat angles P-C4'-P energy: -67.096 tors. eta vs tors. theta energy: -53.940 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: 9, replica: 1 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -818.069067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.069067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.069067 (E_RNA) where: Base-Base interactions energy: -466.878 where: short stacking energy: -246.892 Base-Backbone interact. energy: -1.986 local terms energy: -349.205418 where: bonds (distance) C4'-P energy: -93.706 bonds (distance) P-C4' energy: -93.856 flat angles C4'-P-C4' energy: -97.104 flat angles P-C4'-P energy: -40.833 tors. eta vs tors. theta energy: -23.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -506.133257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.133257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.133257 (E_RNA) where: Base-Base interactions energy: -217.676 where: short stacking energy: -169.672 Base-Backbone interact. energy: 5.081 local terms energy: -293.538084 where: bonds (distance) C4'-P energy: -74.885 bonds (distance) P-C4' energy: -110.308 flat angles C4'-P-C4' energy: -75.173 flat angles P-C4'-P energy: -46.038 tors. eta vs tors. theta energy: 12.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2157.999507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.999507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.999507 (E_RNA) where: Base-Base interactions energy: -1499.843 where: short stacking energy: -645.662 Base-Backbone interact. energy: -3.378 local terms energy: -654.778161 where: bonds (distance) C4'-P energy: -116.829 bonds (distance) P-C4' energy: -122.608 flat angles C4'-P-C4' energy: -130.353 flat angles P-C4'-P energy: -94.511 tors. eta vs tors. theta energy: -190.477 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: 2 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2116.117336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.117336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.117336 (E_RNA) where: Base-Base interactions energy: -1491.302 where: short stacking energy: -632.305 Base-Backbone interact. energy: -3.687 local terms energy: -621.128387 where: bonds (distance) C4'-P energy: -113.281 bonds (distance) P-C4' energy: -125.754 flat angles C4'-P-C4' energy: -128.955 flat angles P-C4'-P energy: -82.620 tors. eta vs tors. theta energy: -170.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2005.997259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.997259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.997259 (E_RNA) where: Base-Base interactions energy: -1380.268 where: short stacking energy: -612.900 Base-Backbone interact. energy: -1.012 local terms energy: -624.716947 where: bonds (distance) C4'-P energy: -103.477 bonds (distance) P-C4' energy: -117.809 flat angles C4'-P-C4' energy: -136.032 flat angles P-C4'-P energy: -90.464 tors. eta vs tors. theta energy: -176.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1967.959548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.959548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.959548 (E_RNA) where: Base-Base interactions energy: -1368.032 where: short stacking energy: -553.535 Base-Backbone interact. energy: -1.139 local terms energy: -598.788393 where: bonds (distance) C4'-P energy: -112.529 bonds (distance) P-C4' energy: -115.437 flat angles C4'-P-C4' energy: -133.029 flat angles P-C4'-P energy: -93.169 tors. eta vs tors. theta energy: -144.624 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: 7 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1815.279433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.279433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.279433 (E_RNA) where: Base-Base interactions energy: -1237.230 where: short stacking energy: -540.278 Base-Backbone interact. energy: -2.524 local terms energy: -575.524696 where: bonds (distance) C4'-P energy: -105.096 bonds (distance) P-C4' energy: -113.810 flat angles C4'-P-C4' energy: -136.049 flat angles P-C4'-P energy: -68.124 tors. eta vs tors. theta energy: -152.446 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: 6 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1629.298335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.298335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.298335 (E_RNA) where: Base-Base interactions energy: -1098.121 where: short stacking energy: -506.440 Base-Backbone interact. energy: -2.289 local terms energy: -528.888970 where: bonds (distance) C4'-P energy: -99.732 bonds (distance) P-C4' energy: -121.247 flat angles C4'-P-C4' energy: -103.120 flat angles P-C4'-P energy: -66.164 tors. eta vs tors. theta energy: -138.625 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: 10 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1505.832385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.832385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.832385 (E_RNA) where: Base-Base interactions energy: -1009.776 where: short stacking energy: -435.242 Base-Backbone interact. energy: -0.282 local terms energy: -495.774123 where: bonds (distance) C4'-P energy: -120.941 bonds (distance) P-C4' energy: -88.557 flat angles C4'-P-C4' energy: -108.167 flat angles P-C4'-P energy: -62.282 tors. eta vs tors. theta energy: -115.827 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: 8, replica: 9 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1093.159265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.159265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.159265 (E_RNA) where: Base-Base interactions energy: -673.803 where: short stacking energy: -301.080 Base-Backbone interact. energy: 2.760 local terms energy: -422.116999 where: bonds (distance) C4'-P energy: -86.125 bonds (distance) P-C4' energy: -100.506 flat angles C4'-P-C4' energy: -113.327 flat angles P-C4'-P energy: -68.210 tors. eta vs tors. theta energy: -53.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -753.706741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.706741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.706741 (E_RNA) where: Base-Base interactions energy: -392.578 where: short stacking energy: -232.334 Base-Backbone interact. energy: -2.426 local terms energy: -358.703281 where: bonds (distance) C4'-P energy: -105.942 bonds (distance) P-C4' energy: -92.375 flat angles C4'-P-C4' energy: -76.748 flat angles P-C4'-P energy: -64.513 tors. eta vs tors. theta energy: -19.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -551.273245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.273245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.273245 (E_RNA) where: Base-Base interactions energy: -237.507 where: short stacking energy: -154.891 Base-Backbone interact. energy: -0.401 local terms energy: -313.365151 where: bonds (distance) C4'-P energy: -86.832 bonds (distance) P-C4' energy: -116.949 flat angles C4'-P-C4' energy: -76.426 flat angles P-C4'-P energy: -42.931 tors. eta vs tors. theta energy: 9.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2164.932914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.932914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.932914 (E_RNA) where: Base-Base interactions energy: -1507.738 where: short stacking energy: -663.408 Base-Backbone interact. energy: -1.777 local terms energy: -655.417845 where: bonds (distance) C4'-P energy: -128.337 bonds (distance) P-C4' energy: -113.670 flat angles C4'-P-C4' energy: -136.752 flat angles P-C4'-P energy: -96.498 tors. eta vs tors. theta energy: -180.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2123.901723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.901723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.901723 (E_RNA) where: Base-Base interactions energy: -1481.101 where: short stacking energy: -623.786 Base-Backbone interact. energy: -3.156 local terms energy: -639.644899 where: bonds (distance) C4'-P energy: -133.755 bonds (distance) P-C4' energy: -110.030 flat angles C4'-P-C4' energy: -135.075 flat angles P-C4'-P energy: -82.080 tors. eta vs tors. theta energy: -178.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1988.033664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.033664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.033664 (E_RNA) where: Base-Base interactions energy: -1365.186 where: short stacking energy: -574.194 Base-Backbone interact. energy: -2.837 local terms energy: -620.011396 where: bonds (distance) C4'-P energy: -107.311 bonds (distance) P-C4' energy: -125.866 flat angles C4'-P-C4' energy: -133.837 flat angles P-C4'-P energy: -88.358 tors. eta vs tors. theta energy: -164.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1961.255039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.255039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.255039 (E_RNA) where: Base-Base interactions energy: -1367.950 where: short stacking energy: -569.939 Base-Backbone interact. energy: -1.219 local terms energy: -592.086307 where: bonds (distance) C4'-P energy: -117.932 bonds (distance) P-C4' energy: -113.737 flat angles C4'-P-C4' energy: -127.932 flat angles P-C4'-P energy: -79.320 tors. eta vs tors. theta energy: -153.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1828.983031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.983031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.983031 (E_RNA) where: Base-Base interactions energy: -1262.937 where: short stacking energy: -528.958 Base-Backbone interact. energy: 0.766 local terms energy: -566.812323 where: bonds (distance) C4'-P energy: -95.881 bonds (distance) P-C4' energy: -98.735 flat angles C4'-P-C4' energy: -132.901 flat angles P-C4'-P energy: -87.671 tors. eta vs tors. theta energy: -151.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1650.202790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.202790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.202790 (E_RNA) where: Base-Base interactions energy: -1097.230 where: short stacking energy: -492.317 Base-Backbone interact. energy: -2.011 local terms energy: -550.962619 where: bonds (distance) C4'-P energy: -90.480 bonds (distance) P-C4' energy: -107.517 flat angles C4'-P-C4' energy: -128.933 flat angles P-C4'-P energy: -83.602 tors. eta vs tors. theta energy: -140.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1475.162110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.162110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.162110 (E_RNA) where: Base-Base interactions energy: -999.151 where: short stacking energy: -457.903 Base-Backbone interact. energy: 3.620 local terms energy: -479.630672 where: bonds (distance) C4'-P energy: -113.959 bonds (distance) P-C4' energy: -99.507 flat angles C4'-P-C4' energy: -101.107 flat angles P-C4'-P energy: -45.939 tors. eta vs tors. theta energy: -119.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1056.794195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.794195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.794195 (E_RNA) where: Base-Base interactions energy: -653.403 where: short stacking energy: -302.208 Base-Backbone interact. energy: 2.043 local terms energy: -405.434181 where: bonds (distance) C4'-P energy: -96.096 bonds (distance) P-C4' energy: -109.431 flat angles C4'-P-C4' energy: -89.394 flat angles P-C4'-P energy: -65.014 tors. eta vs tors. theta energy: -45.500 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: 1 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -773.290229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.290229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.290229 (E_RNA) where: Base-Base interactions energy: -415.926 where: short stacking energy: -229.248 Base-Backbone interact. energy: 0.980 local terms energy: -358.344129 where: bonds (distance) C4'-P energy: -105.531 bonds (distance) P-C4' energy: -98.723 flat angles C4'-P-C4' energy: -78.473 flat angles P-C4'-P energy: -45.163 tors. eta vs tors. theta energy: -30.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -572.064778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.064778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.064778 (E_RNA) where: Base-Base interactions energy: -259.287 where: short stacking energy: -164.224 Base-Backbone interact. energy: 4.410 local terms energy: -317.187599 where: bonds (distance) C4'-P energy: -90.100 bonds (distance) P-C4' energy: -102.496 flat angles C4'-P-C4' energy: -83.296 flat angles P-C4'-P energy: -43.532 tors. eta vs tors. theta energy: 2.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2166.102086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.102086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.102086 (E_RNA) where: Base-Base interactions energy: -1503.397 where: short stacking energy: -645.762 Base-Backbone interact. energy: -5.802 local terms energy: -656.903285 where: bonds (distance) C4'-P energy: -123.014 bonds (distance) P-C4' energy: -118.241 flat angles C4'-P-C4' energy: -146.560 flat angles P-C4'-P energy: -99.063 tors. eta vs tors. theta energy: -170.025 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: 2 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2123.586350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.586350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.586350 (E_RNA) where: Base-Base interactions energy: -1480.548 where: short stacking energy: -632.626 Base-Backbone interact. energy: 0.778 local terms energy: -643.816178 where: bonds (distance) C4'-P energy: -106.707 bonds (distance) P-C4' energy: -122.932 flat angles C4'-P-C4' energy: -140.360 flat angles P-C4'-P energy: -99.675 tors. eta vs tors. theta energy: -174.142 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: 192 Temperature: 1.000000 Total energy: -2005.282995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.282995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.282995 (E_RNA) where: Base-Base interactions energy: -1367.228 where: short stacking energy: -606.440 Base-Backbone interact. energy: -2.821 local terms energy: -635.233489 where: bonds (distance) C4'-P energy: -112.002 bonds (distance) P-C4' energy: -127.311 flat angles C4'-P-C4' energy: -127.770 flat angles P-C4'-P energy: -96.155 tors. eta vs tors. theta energy: -171.995 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: 4, replica: 5 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1995.344417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.344417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.344417 (E_RNA) where: Base-Base interactions energy: -1383.177 where: short stacking energy: -584.703 Base-Backbone interact. energy: -4.520 local terms energy: -607.647176 where: bonds (distance) C4'-P energy: -118.386 bonds (distance) P-C4' energy: -108.764 flat angles C4'-P-C4' energy: -129.782 flat angles P-C4'-P energy: -89.536 tors. eta vs tors. theta energy: -161.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1855.233052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.233052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.233052 (E_RNA) where: Base-Base interactions energy: -1266.767 where: short stacking energy: -573.124 Base-Backbone interact. energy: -1.392 local terms energy: -587.073666 where: bonds (distance) C4'-P energy: -106.264 bonds (distance) P-C4' energy: -126.912 flat angles C4'-P-C4' energy: -118.567 flat angles P-C4'-P energy: -79.903 tors. eta vs tors. theta energy: -155.427 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: 6 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1618.675304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.675304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.675304 (E_RNA) where: Base-Base interactions energy: -1095.525 where: short stacking energy: -506.383 Base-Backbone interact. energy: -0.354 local terms energy: -522.796233 where: bonds (distance) C4'-P energy: -107.602 bonds (distance) P-C4' energy: -91.098 flat angles C4'-P-C4' energy: -118.371 flat angles P-C4'-P energy: -76.445 tors. eta vs tors. theta energy: -129.280 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: 7, replica: 10 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1494.873021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.873021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.873021 (E_RNA) where: Base-Base interactions energy: -1010.872 where: short stacking energy: -433.340 Base-Backbone interact. energy: -0.069 local terms energy: -483.931545 where: bonds (distance) C4'-P energy: -102.512 bonds (distance) P-C4' energy: -100.607 flat angles C4'-P-C4' energy: -114.174 flat angles P-C4'-P energy: -72.753 tors. eta vs tors. theta energy: -93.885 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: 9 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1116.858109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.858109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.858109 (E_RNA) where: Base-Base interactions energy: -683.132 where: short stacking energy: -327.092 Base-Backbone interact. energy: -4.824 local terms energy: -428.902063 where: bonds (distance) C4'-P energy: -105.894 bonds (distance) P-C4' energy: -116.689 flat angles C4'-P-C4' energy: -96.217 flat angles P-C4'-P energy: -58.379 tors. eta vs tors. theta energy: -51.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -850.756194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.756194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.756194 (E_RNA) where: Base-Base interactions energy: -459.268 where: short stacking energy: -246.879 Base-Backbone interact. energy: -0.469 local terms energy: -391.019824 where: bonds (distance) C4'-P energy: -111.477 bonds (distance) P-C4' energy: -104.941 flat angles C4'-P-C4' energy: -102.130 flat angles P-C4'-P energy: -36.949 tors. eta vs tors. theta energy: -35.522 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: 4 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -562.733144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.733144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.733144 (E_RNA) where: Base-Base interactions energy: -217.296 where: short stacking energy: -139.363 Base-Backbone interact. energy: -0.827 local terms energy: -344.610101 where: bonds (distance) C4'-P energy: -108.347 bonds (distance) P-C4' energy: -116.524 flat angles C4'-P-C4' energy: -85.355 flat angles P-C4'-P energy: -47.031 tors. eta vs tors. theta energy: 12.647 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: 3 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2112.211364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.211364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.211364 (E_RNA) where: Base-Base interactions energy: -1487.369 where: short stacking energy: -631.571 Base-Backbone interact. energy: -4.571 local terms energy: -620.271480 where: bonds (distance) C4'-P energy: -114.966 bonds (distance) P-C4' energy: -113.400 flat angles C4'-P-C4' energy: -129.292 flat angles P-C4'-P energy: -86.307 tors. eta vs tors. theta energy: -176.307 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: 2 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2138.976751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.976751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.976751 (E_RNA) where: Base-Base interactions energy: -1514.375 where: short stacking energy: -634.962 Base-Backbone interact. energy: -5.066 local terms energy: -619.535974 where: bonds (distance) C4'-P energy: -122.137 bonds (distance) P-C4' energy: -103.931 flat angles C4'-P-C4' energy: -132.024 flat angles P-C4'-P energy: -87.917 tors. eta vs tors. theta energy: -173.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1985.891959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.891959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.891959 (E_RNA) where: Base-Base interactions energy: -1349.750 where: short stacking energy: -597.271 Base-Backbone interact. energy: 7.211 local terms energy: -643.352803 where: bonds (distance) C4'-P energy: -119.605 bonds (distance) P-C4' energy: -134.990 flat angles C4'-P-C4' energy: -140.001 flat angles P-C4'-P energy: -78.874 tors. eta vs tors. theta energy: -169.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1971.734996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.734996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.734996 (E_RNA) where: Base-Base interactions energy: -1377.214 where: short stacking energy: -565.113 Base-Backbone interact. energy: -2.503 local terms energy: -592.018083 where: bonds (distance) C4'-P energy: -106.482 bonds (distance) P-C4' energy: -117.313 flat angles C4'-P-C4' energy: -128.096 flat angles P-C4'-P energy: -87.657 tors. eta vs tors. theta energy: -152.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1833.099160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.099160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.099160 (E_RNA) where: Base-Base interactions energy: -1274.820 where: short stacking energy: -559.587 Base-Backbone interact. energy: -0.770 local terms energy: -557.509986 where: bonds (distance) C4'-P energy: -111.171 bonds (distance) P-C4' energy: -118.226 flat angles C4'-P-C4' energy: -127.435 flat angles P-C4'-P energy: -56.069 tors. eta vs tors. theta energy: -144.608 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: 193 Temperature: 1.150000 Total energy: -1623.651379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.651379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.651379 (E_RNA) where: Base-Base interactions energy: -1048.082 where: short stacking energy: -509.541 Base-Backbone interact. energy: -2.525 local terms energy: -573.044588 where: bonds (distance) C4'-P energy: -109.242 bonds (distance) P-C4' energy: -127.653 flat angles C4'-P-C4' energy: -115.917 flat angles P-C4'-P energy: -80.183 tors. eta vs tors. theta energy: -140.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1526.262442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.262442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.262442 (E_RNA) where: Base-Base interactions energy: -1036.363 where: short stacking energy: -434.311 Base-Backbone interact. energy: 2.420 local terms energy: -492.319580 where: bonds (distance) C4'-P energy: -95.749 bonds (distance) P-C4' energy: -111.147 flat angles C4'-P-C4' energy: -106.788 flat angles P-C4'-P energy: -77.140 tors. eta vs tors. theta energy: -101.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1146.206986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.206986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.206986 (E_RNA) where: Base-Base interactions energy: -712.898 where: short stacking energy: -338.094 Base-Backbone interact. energy: -1.672 local terms energy: -431.636807 where: bonds (distance) C4'-P energy: -105.177 bonds (distance) P-C4' energy: -92.923 flat angles C4'-P-C4' energy: -112.329 flat angles P-C4'-P energy: -65.758 tors. eta vs tors. theta energy: -55.449 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: 1 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -804.575516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.575516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.575516 (E_RNA) where: Base-Base interactions energy: -460.741 where: short stacking energy: -238.299 Base-Backbone interact. energy: 0.632 local terms energy: -344.466700 where: bonds (distance) C4'-P energy: -107.155 bonds (distance) P-C4' energy: -89.754 flat angles C4'-P-C4' energy: -80.878 flat angles P-C4'-P energy: -50.229 tors. eta vs tors. theta energy: -16.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -526.645826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.645826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.645826 (E_RNA) where: Base-Base interactions energy: -191.110 where: short stacking energy: -143.013 Base-Backbone interact. energy: -3.075 local terms energy: -332.460642 where: bonds (distance) C4'-P energy: -94.922 bonds (distance) P-C4' energy: -113.828 flat angles C4'-P-C4' energy: -97.990 flat angles P-C4'-P energy: -40.181 tors. eta vs tors. theta energy: 14.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2191.892175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.892175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.892175 (E_RNA) where: Base-Base interactions energy: -1550.419 where: short stacking energy: -648.000 Base-Backbone interact. energy: -2.812 local terms energy: -638.660732 where: bonds (distance) C4'-P energy: -109.792 bonds (distance) P-C4' energy: -118.681 flat angles C4'-P-C4' energy: -141.488 flat angles P-C4'-P energy: -96.023 tors. eta vs tors. theta energy: -172.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2081.496468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.496468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.496468 (E_RNA) where: Base-Base interactions energy: -1451.844 where: short stacking energy: -620.800 Base-Backbone interact. energy: -0.014 local terms energy: -629.638714 where: bonds (distance) C4'-P energy: -120.328 bonds (distance) P-C4' energy: -118.726 flat angles C4'-P-C4' energy: -121.627 flat angles P-C4'-P energy: -85.164 tors. eta vs tors. theta energy: -183.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2040.971144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.971144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.971144 (E_RNA) where: Base-Base interactions energy: -1411.892 where: short stacking energy: -571.099 Base-Backbone interact. energy: -0.492 local terms energy: -628.586977 where: bonds (distance) C4'-P energy: -104.971 bonds (distance) P-C4' energy: -126.894 flat angles C4'-P-C4' energy: -139.972 flat angles P-C4'-P energy: -91.826 tors. eta vs tors. theta energy: -164.923 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: 8 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1937.217726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.217726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.217726 (E_RNA) where: Base-Base interactions energy: -1358.620 where: short stacking energy: -574.737 Base-Backbone interact. energy: -2.331 local terms energy: -576.266528 where: bonds (distance) C4'-P energy: -95.242 bonds (distance) P-C4' energy: -99.926 flat angles C4'-P-C4' energy: -131.821 flat angles P-C4'-P energy: -85.305 tors. eta vs tors. theta energy: -163.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1818.652898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.652898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.652898 (E_RNA) where: Base-Base interactions energy: -1266.476 where: short stacking energy: -532.248 Base-Backbone interact. energy: -1.266 local terms energy: -550.910415 where: bonds (distance) C4'-P energy: -98.266 bonds (distance) P-C4' energy: -127.598 flat angles C4'-P-C4' energy: -108.011 flat angles P-C4'-P energy: -62.210 tors. eta vs tors. theta energy: -154.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1588.777309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.777309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.777309 (E_RNA) where: Base-Base interactions energy: -1054.502 where: short stacking energy: -471.006 Base-Backbone interact. energy: 0.280 local terms energy: -534.555673 where: bonds (distance) C4'-P energy: -105.379 bonds (distance) P-C4' energy: -110.205 flat angles C4'-P-C4' energy: -115.308 flat angles P-C4'-P energy: -69.726 tors. eta vs tors. theta energy: -133.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1567.722942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.722942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.722942 (E_RNA) where: Base-Base interactions energy: -1049.888 where: short stacking energy: -475.460 Base-Backbone interact. energy: 2.064 local terms energy: -519.898897 where: bonds (distance) C4'-P energy: -99.963 bonds (distance) P-C4' energy: -101.677 flat angles C4'-P-C4' energy: -112.328 flat angles P-C4'-P energy: -73.972 tors. eta vs tors. theta energy: -131.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1134.484311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.484311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.484311 (E_RNA) where: Base-Base interactions energy: -717.258 where: short stacking energy: -322.781 Base-Backbone interact. energy: 2.815 local terms energy: -420.041529 where: bonds (distance) C4'-P energy: -85.226 bonds (distance) P-C4' energy: -109.785 flat angles C4'-P-C4' energy: -105.298 flat angles P-C4'-P energy: -58.601 tors. eta vs tors. theta energy: -61.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -677.058393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.058393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.058393 (E_RNA) where: Base-Base interactions energy: -322.367 where: short stacking energy: -178.507 Base-Backbone interact. energy: 0.144 local terms energy: -354.835782 where: bonds (distance) C4'-P energy: -98.390 bonds (distance) P-C4' energy: -115.472 flat angles C4'-P-C4' energy: -86.163 flat angles P-C4'-P energy: -65.535 tors. eta vs tors. theta energy: 10.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -481.183906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.183906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.183906 (E_RNA) where: Base-Base interactions energy: -164.098 where: short stacking energy: -151.560 Base-Backbone interact. energy: -0.159 local terms energy: -316.927390 where: bonds (distance) C4'-P energy: -89.610 bonds (distance) P-C4' energy: -102.866 flat angles C4'-P-C4' energy: -88.223 flat angles P-C4'-P energy: -46.375 tors. eta vs tors. theta energy: 10.147 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: 2 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2180.242205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.242205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.242205 (E_RNA) where: Base-Base interactions energy: -1526.607 where: short stacking energy: -637.758 Base-Backbone interact. energy: -2.315 local terms energy: -651.320535 where: bonds (distance) C4'-P energy: -123.127 bonds (distance) P-C4' energy: -109.398 flat angles C4'-P-C4' energy: -150.487 flat angles P-C4'-P energy: -94.066 tors. eta vs tors. theta energy: -174.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2079.601389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.601389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.601389 (E_RNA) where: Base-Base interactions energy: -1449.730 where: short stacking energy: -617.377 Base-Backbone interact. energy: -2.479 local terms energy: -627.392319 where: bonds (distance) C4'-P energy: -110.051 bonds (distance) P-C4' energy: -117.607 flat angles C4'-P-C4' energy: -132.073 flat angles P-C4'-P energy: -83.939 tors. eta vs tors. theta energy: -183.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1998.101991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.101991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.101991 (E_RNA) where: Base-Base interactions energy: -1390.152 where: short stacking energy: -580.917 Base-Backbone interact. energy: -2.185 local terms energy: -605.765612 where: bonds (distance) C4'-P energy: -116.307 bonds (distance) P-C4' energy: -111.480 flat angles C4'-P-C4' energy: -120.725 flat angles P-C4'-P energy: -91.775 tors. eta vs tors. theta energy: -165.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1924.442766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.442766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.442766 (E_RNA) where: Base-Base interactions energy: -1323.454 where: short stacking energy: -577.954 Base-Backbone interact. energy: -2.080 local terms energy: -598.909538 where: bonds (distance) C4'-P energy: -102.902 bonds (distance) P-C4' energy: -108.432 flat angles C4'-P-C4' energy: -127.811 flat angles P-C4'-P energy: -81.692 tors. eta vs tors. theta energy: -178.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1871.132508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.132508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.132508 (E_RNA) where: Base-Base interactions energy: -1264.032 where: short stacking energy: -543.121 Base-Backbone interact. energy: -3.336 local terms energy: -603.764447 where: bonds (distance) C4'-P energy: -121.392 bonds (distance) P-C4' energy: -112.519 flat angles C4'-P-C4' energy: -135.039 flat angles P-C4'-P energy: -77.636 tors. eta vs tors. theta energy: -157.178 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: 6 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1568.540456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.540456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.540456 (E_RNA) where: Base-Base interactions energy: -1036.694 where: short stacking energy: -477.638 Base-Backbone interact. energy: -0.740 local terms energy: -531.106747 where: bonds (distance) C4'-P energy: -111.237 bonds (distance) P-C4' energy: -120.560 flat angles C4'-P-C4' energy: -114.168 flat angles P-C4'-P energy: -68.204 tors. eta vs tors. theta energy: -116.937 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: 7, replica: 10 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1512.326046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.326046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.326046 (E_RNA) where: Base-Base interactions energy: -1017.173 where: short stacking energy: -442.586 Base-Backbone interact. energy: -2.882 local terms energy: -492.271110 where: bonds (distance) C4'-P energy: -102.917 bonds (distance) P-C4' energy: -106.554 flat angles C4'-P-C4' energy: -114.216 flat angles P-C4'-P energy: -60.629 tors. eta vs tors. theta energy: -107.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1166.810727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.810727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.810727 (E_RNA) where: Base-Base interactions energy: -724.793 where: short stacking energy: -341.272 Base-Backbone interact. energy: 2.006 local terms energy: -444.022946 where: bonds (distance) C4'-P energy: -99.939 bonds (distance) P-C4' energy: -95.693 flat angles C4'-P-C4' energy: -106.589 flat angles P-C4'-P energy: -82.591 tors. eta vs tors. theta energy: -59.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -659.011319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.011319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.011319 (E_RNA) where: Base-Base interactions energy: -310.124 where: short stacking energy: -219.751 Base-Backbone interact. energy: 0.980 local terms energy: -349.867182 where: bonds (distance) C4'-P energy: -90.118 bonds (distance) P-C4' energy: -102.639 flat angles C4'-P-C4' energy: -107.047 flat angles P-C4'-P energy: -40.333 tors. eta vs tors. theta energy: -9.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -523.215103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.215103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.215103 (E_RNA) where: Base-Base interactions energy: -199.896 where: short stacking energy: -168.200 Base-Backbone interact. energy: 1.491 local terms energy: -324.810211 where: bonds (distance) C4'-P energy: -102.983 bonds (distance) P-C4' energy: -99.963 flat angles C4'-P-C4' energy: -90.010 flat angles P-C4'-P energy: -51.985 tors. eta vs tors. theta energy: 20.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2148.164843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.164843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.164843 (E_RNA) where: Base-Base interactions energy: -1497.640 where: short stacking energy: -630.356 Base-Backbone interact. energy: -3.618 local terms energy: -646.906697 where: bonds (distance) C4'-P energy: -109.711 bonds (distance) P-C4' energy: -125.023 flat angles C4'-P-C4' energy: -138.040 flat angles P-C4'-P energy: -96.465 tors. eta vs tors. theta energy: -177.668 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: 3 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2077.495350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.495350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.495350 (E_RNA) where: Base-Base interactions energy: -1430.732 where: short stacking energy: -605.705 Base-Backbone interact. energy: -0.939 local terms energy: -645.823933 where: bonds (distance) C4'-P energy: -116.849 bonds (distance) P-C4' energy: -122.983 flat angles C4'-P-C4' energy: -139.434 flat angles P-C4'-P energy: -81.998 tors. eta vs tors. theta energy: -184.560 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: 3, replica: 5 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1988.075876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.075876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.075876 (E_RNA) where: Base-Base interactions energy: -1385.564 where: short stacking energy: -591.461 Base-Backbone interact. energy: -3.538 local terms energy: -598.973694 where: bonds (distance) C4'-P energy: -112.203 bonds (distance) P-C4' energy: -126.559 flat angles C4'-P-C4' energy: -118.221 flat angles P-C4'-P energy: -89.378 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: 4, replica: 8 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1961.314583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.314583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.314583 (E_RNA) where: Base-Base interactions energy: -1374.260 where: short stacking energy: -580.686 Base-Backbone interact. energy: -0.791 local terms energy: -586.263117 where: bonds (distance) C4'-P energy: -103.102 bonds (distance) P-C4' energy: -113.276 flat angles C4'-P-C4' energy: -120.561 flat angles P-C4'-P energy: -78.771 tors. eta vs tors. theta energy: -170.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1845.154417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.154417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.154417 (E_RNA) where: Base-Base interactions energy: -1270.599 where: short stacking energy: -541.401 Base-Backbone interact. energy: -3.157 local terms energy: -571.398288 where: bonds (distance) C4'-P energy: -101.080 bonds (distance) P-C4' energy: -114.073 flat angles C4'-P-C4' energy: -110.952 flat angles P-C4'-P energy: -89.554 tors. eta vs tors. theta energy: -155.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1578.455557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.455557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.455557 (E_RNA) where: Base-Base interactions energy: -1056.888 where: short stacking energy: -493.346 Base-Backbone interact. energy: -2.573 local terms energy: -518.993845 where: bonds (distance) C4'-P energy: -100.368 bonds (distance) P-C4' energy: -109.810 flat angles C4'-P-C4' energy: -111.233 flat angles P-C4'-P energy: -72.795 tors. eta vs tors. theta energy: -124.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1531.682776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.682776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.682776 (E_RNA) where: Base-Base interactions energy: -1050.482 where: short stacking energy: -435.944 Base-Backbone interact. energy: -3.393 local terms energy: -477.807720 where: bonds (distance) C4'-P energy: -101.198 bonds (distance) P-C4' energy: -102.471 flat angles C4'-P-C4' energy: -116.613 flat angles P-C4'-P energy: -53.503 tors. eta vs tors. theta energy: -104.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1177.615792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.615792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.615792 (E_RNA) where: Base-Base interactions energy: -741.670 where: short stacking energy: -353.984 Base-Backbone interact. energy: 1.493 local terms energy: -437.438124 where: bonds (distance) C4'-P energy: -100.460 bonds (distance) P-C4' energy: -117.041 flat angles C4'-P-C4' energy: -86.387 flat angles P-C4'-P energy: -68.840 tors. eta vs tors. theta energy: -64.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -658.779470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.779470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.779470 (E_RNA) where: Base-Base interactions energy: -327.319 where: short stacking energy: -195.895 Base-Backbone interact. energy: 0.824 local terms energy: -332.284731 where: bonds (distance) C4'-P energy: -114.380 bonds (distance) P-C4' energy: -76.272 flat angles C4'-P-C4' energy: -95.563 flat angles P-C4'-P energy: -52.428 tors. eta vs tors. theta energy: 6.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -464.348169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.348169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.348169 (E_RNA) where: Base-Base interactions energy: -168.956 where: short stacking energy: -134.028 Base-Backbone interact. energy: 1.590 local terms energy: -296.982466 where: bonds (distance) C4'-P energy: -105.194 bonds (distance) P-C4' energy: -100.681 flat angles C4'-P-C4' energy: -81.237 flat angles P-C4'-P energy: -42.511 tors. eta vs tors. theta energy: 32.640 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: 2 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2166.483895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.483895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.483895 (E_RNA) where: Base-Base interactions energy: -1497.492 where: short stacking energy: -642.308 Base-Backbone interact. energy: -2.772 local terms energy: -666.219735 where: bonds (distance) C4'-P energy: -115.374 bonds (distance) P-C4' energy: -123.574 flat angles C4'-P-C4' energy: -148.220 flat angles P-C4'-P energy: -102.571 tors. eta vs tors. theta energy: -176.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2085.915813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.915813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.915813 (E_RNA) where: Base-Base interactions energy: -1447.018 where: short stacking energy: -609.105 Base-Backbone interact. energy: -5.426 local terms energy: -633.471938 where: bonds (distance) C4'-P energy: -117.380 bonds (distance) P-C4' energy: -122.732 flat angles C4'-P-C4' energy: -140.576 flat angles P-C4'-P energy: -73.797 tors. eta vs tors. theta energy: -178.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2018.866167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.866167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.866167 (E_RNA) where: Base-Base interactions energy: -1412.778 where: short stacking energy: -581.364 Base-Backbone interact. energy: -4.833 local terms energy: -601.254677 where: bonds (distance) C4'-P energy: -111.054 bonds (distance) P-C4' energy: -105.056 flat angles C4'-P-C4' energy: -136.861 flat angles P-C4'-P energy: -83.271 tors. eta vs tors. theta energy: -165.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1983.689289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.689289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.689289 (E_RNA) where: Base-Base interactions energy: -1363.631 where: short stacking energy: -562.761 Base-Backbone interact. energy: -6.036 local terms energy: -614.022279 where: bonds (distance) C4'-P energy: -115.325 bonds (distance) P-C4' energy: -111.804 flat angles C4'-P-C4' energy: -135.795 flat angles P-C4'-P energy: -91.284 tors. eta vs tors. theta energy: -159.814 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: 7 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1790.773722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.773722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.773722 (E_RNA) where: Base-Base interactions energy: -1230.801 where: short stacking energy: -540.925 Base-Backbone interact. energy: -3.090 local terms energy: -556.882557 where: bonds (distance) C4'-P energy: -110.885 bonds (distance) P-C4' energy: -129.426 flat angles C4'-P-C4' energy: -113.557 flat angles P-C4'-P energy: -62.881 tors. eta vs tors. theta energy: -140.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1614.939460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.939460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.939460 (E_RNA) where: Base-Base interactions energy: -1108.060 where: short stacking energy: -507.429 Base-Backbone interact. energy: 0.816 local terms energy: -507.695801 where: bonds (distance) C4'-P energy: -103.034 bonds (distance) P-C4' energy: -106.444 flat angles C4'-P-C4' energy: -111.826 flat angles P-C4'-P energy: -70.489 tors. eta vs tors. theta energy: -115.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1571.859411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.859411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.859411 (E_RNA) where: Base-Base interactions energy: -1072.518 where: short stacking energy: -488.785 Base-Backbone interact. energy: 2.896 local terms energy: -502.237591 where: bonds (distance) C4'-P energy: -84.865 bonds (distance) P-C4' energy: -121.255 flat angles C4'-P-C4' energy: -108.816 flat angles P-C4'-P energy: -60.308 tors. eta vs tors. theta energy: -126.993 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: 9 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1130.812502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.812502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.812502 (E_RNA) where: Base-Base interactions energy: -707.725 where: short stacking energy: -350.829 Base-Backbone interact. energy: -3.159 local terms energy: -419.929260 where: bonds (distance) C4'-P energy: -96.825 bonds (distance) P-C4' energy: -111.036 flat angles C4'-P-C4' energy: -110.069 flat angles P-C4'-P energy: -51.432 tors. eta vs tors. theta energy: -50.567 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: 1 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -713.708967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.708967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.708967 (E_RNA) where: Base-Base interactions energy: -338.074 where: short stacking energy: -214.762 Base-Backbone interact. energy: -0.395 local terms energy: -375.239407 where: bonds (distance) C4'-P energy: -95.175 bonds (distance) P-C4' energy: -98.837 flat angles C4'-P-C4' energy: -98.401 flat angles P-C4'-P energy: -63.784 tors. eta vs tors. theta energy: -19.043 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: 4 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -497.750746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.750746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.750746 (E_RNA) where: Base-Base interactions energy: -163.377 where: short stacking energy: -142.437 Base-Backbone interact. energy: -0.831 local terms energy: -333.542935 where: bonds (distance) C4'-P energy: -89.565 bonds (distance) P-C4' energy: -103.131 flat angles C4'-P-C4' energy: -97.241 flat angles P-C4'-P energy: -60.213 tors. eta vs tors. theta energy: 16.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2165.898926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.898926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.898926 (E_RNA) where: Base-Base interactions energy: -1503.729 where: short stacking energy: -654.358 Base-Backbone interact. energy: -5.998 local terms energy: -656.172040 where: bonds (distance) C4'-P energy: -112.751 bonds (distance) P-C4' energy: -127.052 flat angles C4'-P-C4' energy: -136.953 flat angles P-C4'-P energy: -101.643 tors. eta vs tors. theta energy: -177.773 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: 3 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2068.209600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.209600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.209600 (E_RNA) where: Base-Base interactions energy: -1421.197 where: short stacking energy: -592.044 Base-Backbone interact. energy: -1.726 local terms energy: -645.286457 where: bonds (distance) C4'-P energy: -128.389 bonds (distance) P-C4' energy: -110.713 flat angles C4'-P-C4' energy: -142.176 flat angles P-C4'-P energy: -86.584 tors. eta vs tors. theta energy: -177.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2010.156898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.156898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.156898 (E_RNA) where: Base-Base interactions energy: -1387.121 where: short stacking energy: -578.395 Base-Backbone interact. energy: -2.752 local terms energy: -620.284082 where: bonds (distance) C4'-P energy: -114.801 bonds (distance) P-C4' energy: -125.693 flat angles C4'-P-C4' energy: -129.988 flat angles P-C4'-P energy: -93.567 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: 4, replica: 8 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1959.529144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.529144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.529144 (E_RNA) where: Base-Base interactions energy: -1328.779 where: short stacking energy: -573.795 Base-Backbone interact. energy: -6.991 local terms energy: -623.759434 where: bonds (distance) C4'-P energy: -103.383 bonds (distance) P-C4' energy: -122.919 flat angles C4'-P-C4' energy: -135.528 flat angles P-C4'-P energy: -97.483 tors. eta vs tors. theta energy: -164.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1834.516443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.516443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.516443 (E_RNA) where: Base-Base interactions energy: -1259.588 where: short stacking energy: -562.497 Base-Backbone interact. energy: -0.195 local terms energy: -574.732834 where: bonds (distance) C4'-P energy: -109.635 bonds (distance) P-C4' energy: -114.483 flat angles C4'-P-C4' energy: -111.786 flat angles P-C4'-P energy: -78.791 tors. eta vs tors. theta energy: -160.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1640.975283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.975283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.975283 (E_RNA) where: Base-Base interactions energy: -1095.686 where: short stacking energy: -485.000 Base-Backbone interact. energy: -2.419 local terms energy: -542.870844 where: bonds (distance) C4'-P energy: -103.232 bonds (distance) P-C4' energy: -110.579 flat angles C4'-P-C4' energy: -130.274 flat angles P-C4'-P energy: -77.237 tors. eta vs tors. theta energy: -121.549 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: 6 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1544.687475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.687475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.687475 (E_RNA) where: Base-Base interactions energy: -1036.251 where: short stacking energy: -439.322 Base-Backbone interact. energy: 0.376 local terms energy: -508.812162 where: bonds (distance) C4'-P energy: -111.452 bonds (distance) P-C4' energy: -110.582 flat angles C4'-P-C4' energy: -103.814 flat angles P-C4'-P energy: -69.699 tors. eta vs tors. theta energy: -113.266 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: 9 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1115.121075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.121075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.121075 (E_RNA) where: Base-Base interactions energy: -715.262 where: short stacking energy: -349.562 Base-Backbone interact. energy: -6.458 local terms energy: -393.401634 where: bonds (distance) C4'-P energy: -95.972 bonds (distance) P-C4' energy: -97.340 flat angles C4'-P-C4' energy: -82.926 flat angles P-C4'-P energy: -64.665 tors. eta vs tors. theta energy: -52.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -654.755540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.755540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.755540 (E_RNA) where: Base-Base interactions energy: -314.555 where: short stacking energy: -185.680 Base-Backbone interact. energy: -3.557 local terms energy: -336.643506 where: bonds (distance) C4'-P energy: -105.057 bonds (distance) P-C4' energy: -84.718 flat angles C4'-P-C4' energy: -90.424 flat angles P-C4'-P energy: -53.547 tors. eta vs tors. theta energy: -2.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -481.926947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.926947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.926947 (E_RNA) where: Base-Base interactions energy: -168.801 where: short stacking energy: -133.360 Base-Backbone interact. energy: -2.073 local terms energy: -311.052298 where: bonds (distance) C4'-P energy: -95.693 bonds (distance) P-C4' energy: -118.496 flat angles C4'-P-C4' energy: -83.542 flat angles P-C4'-P energy: -37.755 tors. eta vs tors. theta energy: 24.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2154.966172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.966172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.966172 (E_RNA) where: Base-Base interactions energy: -1509.323 where: short stacking energy: -631.924 Base-Backbone interact. energy: -2.050 local terms energy: -643.593863 where: bonds (distance) C4'-P energy: -120.169 bonds (distance) P-C4' energy: -114.471 flat angles C4'-P-C4' energy: -145.000 flat angles P-C4'-P energy: -94.349 tors. eta vs tors. theta energy: -169.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2086.740149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.740149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.740149 (E_RNA) where: Base-Base interactions energy: -1434.750 where: short stacking energy: -598.262 Base-Backbone interact. energy: -3.117 local terms energy: -648.872787 where: bonds (distance) C4'-P energy: -115.676 bonds (distance) P-C4' energy: -128.890 flat angles C4'-P-C4' energy: -140.327 flat angles P-C4'-P energy: -82.417 tors. eta vs tors. theta energy: -181.563 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: 5 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2007.837847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.837847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.837847 (E_RNA) where: Base-Base interactions energy: -1396.679 where: short stacking energy: -588.638 Base-Backbone interact. energy: -5.149 local terms energy: -606.009348 where: bonds (distance) C4'-P energy: -120.853 bonds (distance) P-C4' energy: -109.229 flat angles C4'-P-C4' energy: -135.660 flat angles P-C4'-P energy: -91.515 tors. eta vs tors. theta energy: -148.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1967.038718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.038718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.038718 (E_RNA) where: Base-Base interactions energy: -1356.437 where: short stacking energy: -576.060 Base-Backbone interact. energy: -1.032 local terms energy: -609.569686 where: bonds (distance) C4'-P energy: -112.447 bonds (distance) P-C4' energy: -113.009 flat angles C4'-P-C4' energy: -128.522 flat angles P-C4'-P energy: -85.607 tors. eta vs tors. theta energy: -169.984 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: 7 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1861.449522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.449522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.449522 (E_RNA) where: Base-Base interactions energy: -1281.869 where: short stacking energy: -547.098 Base-Backbone interact. energy: -2.399 local terms energy: -577.181141 where: bonds (distance) C4'-P energy: -99.815 bonds (distance) P-C4' energy: -108.115 flat angles C4'-P-C4' energy: -122.012 flat angles P-C4'-P energy: -95.525 tors. eta vs tors. theta energy: -151.714 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: 10 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1598.535120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.535120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.535120 (E_RNA) where: Base-Base interactions energy: -1088.587 where: short stacking energy: -474.240 Base-Backbone interact. energy: -0.713 local terms energy: -509.235176 where: bonds (distance) C4'-P energy: -98.188 bonds (distance) P-C4' energy: -106.438 flat angles C4'-P-C4' energy: -126.610 flat angles P-C4'-P energy: -69.358 tors. eta vs tors. theta energy: -108.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1608.286285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.286285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.286285 (E_RNA) where: Base-Base interactions energy: -1093.880 where: short stacking energy: -501.799 Base-Backbone interact. energy: -2.664 local terms energy: -511.741662 where: bonds (distance) C4'-P energy: -100.043 bonds (distance) P-C4' energy: -96.189 flat angles C4'-P-C4' energy: -112.759 flat angles P-C4'-P energy: -66.883 tors. eta vs tors. theta energy: -135.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1101.580510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.580510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.580510 (E_RNA) where: Base-Base interactions energy: -676.855 where: short stacking energy: -305.002 Base-Backbone interact. energy: 2.090 local terms energy: -426.815117 where: bonds (distance) C4'-P energy: -86.399 bonds (distance) P-C4' energy: -109.899 flat angles C4'-P-C4' energy: -99.707 flat angles P-C4'-P energy: -76.412 tors. eta vs tors. theta energy: -54.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -708.384647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.384647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.384647 (E_RNA) where: Base-Base interactions energy: -340.985 where: short stacking energy: -200.166 Base-Backbone interact. energy: 1.661 local terms energy: -369.061206 where: bonds (distance) C4'-P energy: -83.425 bonds (distance) P-C4' energy: -111.325 flat angles C4'-P-C4' energy: -111.390 flat angles P-C4'-P energy: -47.936 tors. eta vs tors. theta energy: -14.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -527.737602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.737602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.737602 (E_RNA) where: Base-Base interactions energy: -199.977 where: short stacking energy: -139.548 Base-Backbone interact. energy: -1.375 local terms energy: -326.385870 where: bonds (distance) C4'-P energy: -96.793 bonds (distance) P-C4' energy: -99.048 flat angles C4'-P-C4' energy: -90.379 flat angles P-C4'-P energy: -56.637 tors. eta vs tors. theta energy: 16.471 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: 1, replica: 2 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2168.480348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.480348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.480348 (E_RNA) where: Base-Base interactions energy: -1523.552 where: short stacking energy: -643.722 Base-Backbone interact. energy: -1.863 local terms energy: -643.065526 where: bonds (distance) C4'-P energy: -116.942 bonds (distance) P-C4' energy: -130.087 flat angles C4'-P-C4' energy: -134.142 flat angles P-C4'-P energy: -87.364 tors. eta vs tors. theta energy: -174.531 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: 2, replica: 3 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2087.663661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.663661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.663661 (E_RNA) where: Base-Base interactions energy: -1413.524 where: short stacking energy: -604.126 Base-Backbone interact. energy: -3.815 local terms energy: -670.324202 where: bonds (distance) C4'-P energy: -135.862 bonds (distance) P-C4' energy: -120.498 flat angles C4'-P-C4' energy: -135.912 flat angles P-C4'-P energy: -92.107 tors. eta vs tors. theta energy: -185.944 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: 5 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1982.874084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.874084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.874084 (E_RNA) where: Base-Base interactions energy: -1366.854 where: short stacking energy: -578.008 Base-Backbone interact. energy: -4.651 local terms energy: -611.369202 where: bonds (distance) C4'-P energy: -94.637 bonds (distance) P-C4' energy: -124.378 flat angles C4'-P-C4' energy: -137.141 flat angles P-C4'-P energy: -101.197 tors. eta vs tors. theta energy: -154.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1961.053989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.053989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.053989 (E_RNA) where: Base-Base interactions energy: -1361.379 where: short stacking energy: -573.868 Base-Backbone interact. energy: -3.513 local terms energy: -596.161415 where: bonds (distance) C4'-P energy: -102.824 bonds (distance) P-C4' energy: -108.963 flat angles C4'-P-C4' energy: -127.919 flat angles P-C4'-P energy: -87.601 tors. eta vs tors. theta energy: -168.855 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: 7 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1835.998464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.998464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.998464 (E_RNA) where: Base-Base interactions energy: -1283.661 where: short stacking energy: -570.967 Base-Backbone interact. energy: 2.320 local terms energy: -554.657998 where: bonds (distance) C4'-P energy: -103.423 bonds (distance) P-C4' energy: -108.823 flat angles C4'-P-C4' energy: -132.635 flat angles P-C4'-P energy: -65.452 tors. eta vs tors. theta energy: -144.326 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: 6, replica: 10 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1624.361329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.361329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.361329 (E_RNA) where: Base-Base interactions energy: -1110.818 where: short stacking energy: -496.667 Base-Backbone interact. energy: 1.165 local terms energy: -514.707696 where: bonds (distance) C4'-P energy: -105.929 bonds (distance) P-C4' energy: -87.292 flat angles C4'-P-C4' energy: -113.124 flat angles P-C4'-P energy: -77.602 tors. eta vs tors. theta energy: -130.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1583.159559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.159559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.159559 (E_RNA) where: Base-Base interactions energy: -1075.066 where: short stacking energy: -475.357 Base-Backbone interact. energy: 1.102 local terms energy: -509.195657 where: bonds (distance) C4'-P energy: -98.812 bonds (distance) P-C4' energy: -102.269 flat angles C4'-P-C4' energy: -118.152 flat angles P-C4'-P energy: -69.357 tors. eta vs tors. theta energy: -120.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1116.760414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.760414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.760414 (E_RNA) where: Base-Base interactions energy: -710.365 where: short stacking energy: -350.125 Base-Backbone interact. energy: 3.785 local terms energy: -410.180514 where: bonds (distance) C4'-P energy: -103.395 bonds (distance) P-C4' energy: -99.252 flat angles C4'-P-C4' energy: -90.501 flat angles P-C4'-P energy: -51.504 tors. eta vs tors. theta energy: -65.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -717.677826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.677826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.677826 (E_RNA) where: Base-Base interactions energy: -374.278 where: short stacking energy: -193.221 Base-Backbone interact. energy: -4.525 local terms energy: -338.874789 where: bonds (distance) C4'-P energy: -86.471 bonds (distance) P-C4' energy: -93.647 flat angles C4'-P-C4' energy: -91.007 flat angles P-C4'-P energy: -55.582 tors. eta vs tors. theta energy: -12.168 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: 4 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -503.772858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.772858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.772858 (E_RNA) where: Base-Base interactions energy: -184.695 where: short stacking energy: -143.146 Base-Backbone interact. energy: 3.744 local terms energy: -322.821085 where: bonds (distance) C4'-P energy: -108.028 bonds (distance) P-C4' energy: -106.164 flat angles C4'-P-C4' energy: -82.024 flat angles P-C4'-P energy: -53.638 tors. eta vs tors. theta energy: 27.033 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: 2 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2195.772385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.772385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.772385 (E_RNA) where: Base-Base interactions energy: -1519.831 where: short stacking energy: -627.026 Base-Backbone interact. energy: 1.424 local terms energy: -677.364592 where: bonds (distance) C4'-P energy: -131.627 bonds (distance) P-C4' energy: -127.601 flat angles C4'-P-C4' energy: -142.223 flat angles P-C4'-P energy: -97.238 tors. eta vs tors. theta energy: -178.676 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: 3 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2109.776913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.776913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.776913 (E_RNA) where: Base-Base interactions energy: -1443.458 where: short stacking energy: -629.353 Base-Backbone interact. energy: -0.735 local terms energy: -665.584164 where: bonds (distance) C4'-P energy: -122.440 bonds (distance) P-C4' energy: -113.433 flat angles C4'-P-C4' energy: -152.637 flat angles P-C4'-P energy: -91.165 tors. eta vs tors. theta energy: -185.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2012.816949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.816949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.816949 (E_RNA) where: Base-Base interactions energy: -1409.559 where: short stacking energy: -585.402 Base-Backbone interact. energy: -3.544 local terms energy: -599.714397 where: bonds (distance) C4'-P energy: -103.612 bonds (distance) P-C4' energy: -120.231 flat angles C4'-P-C4' energy: -140.559 flat angles P-C4'-P energy: -85.371 tors. eta vs tors. theta energy: -149.942 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: 4, replica: 8 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1920.764832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.764832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.764832 (E_RNA) where: Base-Base interactions energy: -1315.461 where: short stacking energy: -572.993 Base-Backbone interact. energy: -2.494 local terms energy: -602.810175 where: bonds (distance) C4'-P energy: -102.810 bonds (distance) P-C4' energy: -104.905 flat angles C4'-P-C4' energy: -126.802 flat angles P-C4'-P energy: -97.585 tors. eta vs tors. theta energy: -170.708 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: 5, replica: 7 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1859.158104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.158104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.158104 (E_RNA) where: Base-Base interactions energy: -1271.702 where: short stacking energy: -562.397 Base-Backbone interact. energy: 2.134 local terms energy: -589.590529 where: bonds (distance) C4'-P energy: -105.313 bonds (distance) P-C4' energy: -106.861 flat angles C4'-P-C4' energy: -134.636 flat angles P-C4'-P energy: -71.914 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: 6, replica: 10 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1644.729302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.729302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.729302 (E_RNA) where: Base-Base interactions energy: -1084.155 where: short stacking energy: -498.199 Base-Backbone interact. energy: 0.533 local terms energy: -561.107222 where: bonds (distance) C4'-P energy: -93.770 bonds (distance) P-C4' energy: -126.326 flat angles C4'-P-C4' energy: -135.376 flat angles P-C4'-P energy: -74.872 tors. eta vs tors. theta energy: -130.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1565.207894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.207894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.207894 (E_RNA) where: Base-Base interactions energy: -1049.597 where: short stacking energy: -472.554 Base-Backbone interact. energy: 4.052 local terms energy: -519.663647 where: bonds (distance) C4'-P energy: -94.050 bonds (distance) P-C4' energy: -112.359 flat angles C4'-P-C4' energy: -121.077 flat angles P-C4'-P energy: -72.754 tors. eta vs tors. theta energy: -119.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1077.161040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.161040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.161040 (E_RNA) where: Base-Base interactions energy: -664.264 where: short stacking energy: -338.957 Base-Backbone interact. energy: -0.868 local terms energy: -412.029170 where: bonds (distance) C4'-P energy: -90.495 bonds (distance) P-C4' energy: -102.511 flat angles C4'-P-C4' energy: -111.526 flat angles P-C4'-P energy: -39.729 tors. eta vs tors. theta energy: -67.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -745.625138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.625138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.625138 (E_RNA) where: Base-Base interactions energy: -396.173 where: short stacking energy: -220.260 Base-Backbone interact. energy: -0.672 local terms energy: -348.780605 where: bonds (distance) C4'-P energy: -101.386 bonds (distance) P-C4' energy: -90.804 flat angles C4'-P-C4' energy: -81.265 flat angles P-C4'-P energy: -57.211 tors. eta vs tors. theta energy: -18.115 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: 4 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -508.612524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.612524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.612524 (E_RNA) where: Base-Base interactions energy: -201.826 where: short stacking energy: -165.642 Base-Backbone interact. energy: -4.560 local terms energy: -302.226765 where: bonds (distance) C4'-P energy: -92.256 bonds (distance) P-C4' energy: -110.608 flat angles C4'-P-C4' energy: -72.104 flat angles P-C4'-P energy: -51.224 tors. eta vs tors. theta energy: 23.965 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: 1, replica: 2 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2180.151773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.151773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.151773 (E_RNA) where: Base-Base interactions energy: -1529.319 where: short stacking energy: -654.031 Base-Backbone interact. energy: -4.968 local terms energy: -645.865546 where: bonds (distance) C4'-P energy: -120.169 bonds (distance) P-C4' energy: -112.825 flat angles C4'-P-C4' energy: -140.563 flat angles P-C4'-P energy: -88.139 tors. eta vs tors. theta energy: -184.169 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: 3 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2066.827692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.827692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.827692 (E_RNA) where: Base-Base interactions energy: -1426.338 where: short stacking energy: -612.463 Base-Backbone interact. energy: -2.235 local terms energy: -638.255008 where: bonds (distance) C4'-P energy: -116.984 bonds (distance) P-C4' energy: -118.269 flat angles C4'-P-C4' energy: -133.716 flat angles P-C4'-P energy: -94.977 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: 3, replica: 5 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1990.199851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.199851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.199851 (E_RNA) where: Base-Base interactions energy: -1384.992 where: short stacking energy: -569.727 Base-Backbone interact. energy: -0.750 local terms energy: -604.458097 where: bonds (distance) C4'-P energy: -121.599 bonds (distance) P-C4' energy: -123.846 flat angles C4'-P-C4' energy: -130.094 flat angles P-C4'-P energy: -77.023 tors. eta vs tors. theta energy: -151.896 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: 8 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1914.603430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.603430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.603430 (E_RNA) where: Base-Base interactions energy: -1295.801 where: short stacking energy: -555.678 Base-Backbone interact. energy: 3.792 local terms energy: -622.594670 where: bonds (distance) C4'-P energy: -121.465 bonds (distance) P-C4' energy: -123.303 flat angles C4'-P-C4' energy: -129.740 flat angles P-C4'-P energy: -83.582 tors. eta vs tors. theta energy: -164.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1848.769775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.769775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.769775 (E_RNA) where: Base-Base interactions energy: -1264.022 where: short stacking energy: -554.613 Base-Backbone interact. energy: -1.811 local terms energy: -582.937378 where: bonds (distance) C4'-P energy: -106.289 bonds (distance) P-C4' energy: -121.848 flat angles C4'-P-C4' energy: -116.311 flat angles P-C4'-P energy: -84.130 tors. eta vs tors. theta energy: -154.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1628.069849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.069849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.069849 (E_RNA) where: Base-Base interactions energy: -1105.066 where: short stacking energy: -490.188 Base-Backbone interact. energy: -1.275 local terms energy: -521.728184 where: bonds (distance) C4'-P energy: -94.256 bonds (distance) P-C4' energy: -108.196 flat angles C4'-P-C4' energy: -124.247 flat angles P-C4'-P energy: -77.401 tors. eta vs tors. theta energy: -117.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1569.682012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.682012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.682012 (E_RNA) where: Base-Base interactions energy: -1071.330 where: short stacking energy: -484.639 Base-Backbone interact. energy: -1.235 local terms energy: -497.116734 where: bonds (distance) C4'-P energy: -107.488 bonds (distance) P-C4' energy: -102.311 flat angles C4'-P-C4' energy: -109.281 flat angles P-C4'-P energy: -51.523 tors. eta vs tors. theta energy: -126.513 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: 9 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1052.261503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.261503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.261503 (E_RNA) where: Base-Base interactions energy: -617.935 where: short stacking energy: -334.836 Base-Backbone interact. energy: 0.149 local terms energy: -434.474750 where: bonds (distance) C4'-P energy: -83.042 bonds (distance) P-C4' energy: -102.978 flat angles C4'-P-C4' energy: -104.710 flat angles P-C4'-P energy: -72.274 tors. eta vs tors. theta energy: -71.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -765.563101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.563101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.563101 (E_RNA) where: Base-Base interactions energy: -423.244 where: short stacking energy: -225.533 Base-Backbone interact. energy: -1.603 local terms energy: -340.716178 where: bonds (distance) C4'-P energy: -117.327 bonds (distance) P-C4' energy: -87.118 flat angles C4'-P-C4' energy: -79.682 flat angles P-C4'-P energy: -56.242 tors. eta vs tors. theta energy: -0.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -549.187284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.187284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.187284 (E_RNA) where: Base-Base interactions energy: -214.153 where: short stacking energy: -167.478 Base-Backbone interact. energy: 6.755 local terms energy: -341.789228 where: bonds (distance) C4'-P energy: -105.634 bonds (distance) P-C4' energy: -119.999 flat angles C4'-P-C4' energy: -88.685 flat angles P-C4'-P energy: -37.253 tors. eta vs tors. theta energy: 9.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2179.073510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.073510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.073510 (E_RNA) where: Base-Base interactions energy: -1507.923 where: short stacking energy: -638.987 Base-Backbone interact. energy: -0.136 local terms energy: -671.015015 where: bonds (distance) C4'-P energy: -131.319 bonds (distance) P-C4' energy: -130.088 flat angles C4'-P-C4' energy: -145.514 flat angles P-C4'-P energy: -84.520 tors. eta vs tors. theta energy: -179.574 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: 2, replica: 3 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2091.002581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.002581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.002581 (E_RNA) where: Base-Base interactions energy: -1459.616 where: short stacking energy: -611.058 Base-Backbone interact. energy: 1.930 local terms energy: -633.315931 where: bonds (distance) C4'-P energy: -121.834 bonds (distance) P-C4' energy: -113.280 flat angles C4'-P-C4' energy: -140.040 flat angles P-C4'-P energy: -92.297 tors. eta vs tors. theta energy: -165.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2027.642625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.642625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.642625 (E_RNA) where: Base-Base interactions energy: -1415.959 where: short stacking energy: -586.786 Base-Backbone interact. energy: -3.006 local terms energy: -608.677260 where: bonds (distance) C4'-P energy: -119.293 bonds (distance) P-C4' energy: -104.504 flat angles C4'-P-C4' energy: -140.113 flat angles P-C4'-P energy: -85.771 tors. eta vs tors. theta energy: -158.996 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: 8 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1922.529359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.529359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.529359 (E_RNA) where: Base-Base interactions energy: -1314.867 where: short stacking energy: -571.828 Base-Backbone interact. energy: -3.265 local terms energy: -604.397568 where: bonds (distance) C4'-P energy: -122.462 bonds (distance) P-C4' energy: -104.113 flat angles C4'-P-C4' energy: -122.123 flat angles P-C4'-P energy: -85.007 tors. eta vs tors. theta energy: -170.692 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: 7 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1859.807344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.807344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.807344 (E_RNA) where: Base-Base interactions energy: -1282.313 where: short stacking energy: -568.974 Base-Backbone interact. energy: -0.808 local terms energy: -576.686500 where: bonds (distance) C4'-P energy: -96.115 bonds (distance) P-C4' energy: -112.656 flat angles C4'-P-C4' energy: -129.450 flat angles P-C4'-P energy: -72.551 tors. eta vs tors. theta energy: -165.914 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: 6 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1603.547764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.547764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.547764 (E_RNA) where: Base-Base interactions energy: -1066.368 where: short stacking energy: -456.002 Base-Backbone interact. energy: -0.242 local terms energy: -536.937467 where: bonds (distance) C4'-P energy: -113.238 bonds (distance) P-C4' energy: -111.153 flat angles C4'-P-C4' energy: -99.613 flat angles P-C4'-P energy: -83.764 tors. eta vs tors. theta energy: -129.170 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: 7, replica: 10 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1560.020482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.020482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.020482 (E_RNA) where: Base-Base interactions energy: -1023.328 where: short stacking energy: -448.849 Base-Backbone interact. energy: -4.846 local terms energy: -531.846786 where: bonds (distance) C4'-P energy: -100.028 bonds (distance) P-C4' energy: -119.425 flat angles C4'-P-C4' energy: -113.184 flat angles P-C4'-P energy: -73.864 tors. eta vs tors. theta energy: -125.346 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: 9 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1017.110815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.110815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.110815 (E_RNA) where: Base-Base interactions energy: -584.583 where: short stacking energy: -320.502 Base-Backbone interact. energy: -3.399 local terms energy: -429.128884 where: bonds (distance) C4'-P energy: -105.448 bonds (distance) P-C4' energy: -96.850 flat angles C4'-P-C4' energy: -109.137 flat angles P-C4'-P energy: -65.046 tors. eta vs tors. theta energy: -52.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -838.545204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.545204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.545204 (E_RNA) where: Base-Base interactions energy: -476.071 where: short stacking energy: -250.825 Base-Backbone interact. energy: 2.631 local terms energy: -365.106012 where: bonds (distance) C4'-P energy: -103.650 bonds (distance) P-C4' energy: -99.737 flat angles C4'-P-C4' energy: -82.886 flat angles P-C4'-P energy: -52.829 tors. eta vs tors. theta energy: -26.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -526.746672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.746672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.746672 (E_RNA) where: Base-Base interactions energy: -233.729 where: short stacking energy: -156.228 Base-Backbone interact. energy: 1.803 local terms energy: -294.820690 where: bonds (distance) C4'-P energy: -92.735 bonds (distance) P-C4' energy: -75.278 flat angles C4'-P-C4' energy: -74.110 flat angles P-C4'-P energy: -62.513 tors. eta vs tors. theta energy: 9.815 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: 2 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2177.582331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.582331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.582331 (E_RNA) where: Base-Base interactions energy: -1506.399 where: short stacking energy: -648.467 Base-Backbone interact. energy: -1.573 local terms energy: -669.610876 where: bonds (distance) C4'-P energy: -128.449 bonds (distance) P-C4' energy: -120.803 flat angles C4'-P-C4' energy: -142.631 flat angles P-C4'-P energy: -98.863 tors. eta vs tors. theta energy: -178.864 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: 3 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2100.804427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.804427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.804427 (E_RNA) where: Base-Base interactions energy: -1449.559 where: short stacking energy: -586.819 Base-Backbone interact. energy: -2.761 local terms energy: -648.483556 where: bonds (distance) C4'-P energy: -123.077 bonds (distance) P-C4' energy: -120.402 flat angles C4'-P-C4' energy: -137.988 flat angles P-C4'-P energy: -86.845 tors. eta vs tors. theta energy: -180.171 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: 5 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2063.290579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.290579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.290579 (E_RNA) where: Base-Base interactions energy: -1439.860 where: short stacking energy: -597.209 Base-Backbone interact. energy: -3.970 local terms energy: -619.461319 where: bonds (distance) C4'-P energy: -107.519 bonds (distance) P-C4' energy: -124.173 flat angles C4'-P-C4' energy: -137.649 flat angles P-C4'-P energy: -89.880 tors. eta vs tors. theta energy: -160.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1952.285792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.285792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.285792 (E_RNA) where: Base-Base interactions energy: -1352.415 where: short stacking energy: -549.161 Base-Backbone interact. energy: -3.820 local terms energy: -596.050408 where: bonds (distance) C4'-P energy: -107.788 bonds (distance) P-C4' energy: -109.216 flat angles C4'-P-C4' energy: -131.802 flat angles P-C4'-P energy: -75.716 tors. eta vs tors. theta energy: -171.529 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: 7 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1830.675151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.675151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.675151 (E_RNA) where: Base-Base interactions energy: -1251.641 where: short stacking energy: -582.727 Base-Backbone interact. energy: -2.862 local terms energy: -576.171912 where: bonds (distance) C4'-P energy: -112.912 bonds (distance) P-C4' energy: -95.569 flat angles C4'-P-C4' energy: -128.913 flat angles P-C4'-P energy: -74.954 tors. eta vs tors. theta energy: -163.825 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: 6, replica: 6 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1689.830201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.830201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.830201 (E_RNA) where: Base-Base interactions energy: -1161.344 where: short stacking energy: -511.340 Base-Backbone interact. energy: -1.639 local terms energy: -526.846539 where: bonds (distance) C4'-P energy: -106.142 bonds (distance) P-C4' energy: -89.442 flat angles C4'-P-C4' energy: -118.154 flat angles P-C4'-P energy: -65.926 tors. eta vs tors. theta energy: -147.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1590.263964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.263964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.263964 (E_RNA) where: Base-Base interactions energy: -1061.738 where: short stacking energy: -471.610 Base-Backbone interact. energy: -1.800 local terms energy: -526.725629 where: bonds (distance) C4'-P energy: -110.401 bonds (distance) P-C4' energy: -101.483 flat angles C4'-P-C4' energy: -104.342 flat angles P-C4'-P energy: -88.876 tors. eta vs tors. theta energy: -121.624 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: 8, replica: 9 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1043.628457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.628457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.628457 (E_RNA) where: Base-Base interactions energy: -632.704 where: short stacking energy: -286.854 Base-Backbone interact. energy: -1.014 local terms energy: -409.910148 where: bonds (distance) C4'-P energy: -99.265 bonds (distance) P-C4' energy: -96.483 flat angles C4'-P-C4' energy: -106.199 flat angles P-C4'-P energy: -61.303 tors. eta vs tors. theta energy: -46.660 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: 1 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -893.142337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.142337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.142337 (E_RNA) where: Base-Base interactions energy: -513.487 where: short stacking energy: -263.271 Base-Backbone interact. energy: -3.106 local terms energy: -376.549190 where: bonds (distance) C4'-P energy: -94.746 bonds (distance) P-C4' energy: -103.113 flat angles C4'-P-C4' energy: -85.091 flat angles P-C4'-P energy: -53.451 tors. eta vs tors. theta energy: -40.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -635.934198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.934198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.934198 (E_RNA) where: Base-Base interactions energy: -311.340 where: short stacking energy: -192.718 Base-Backbone interact. energy: 2.384 local terms energy: -326.978243 where: bonds (distance) C4'-P energy: -97.149 bonds (distance) P-C4' energy: -86.671 flat angles C4'-P-C4' energy: -94.852 flat angles P-C4'-P energy: -50.079 tors. eta vs tors. theta energy: 1.772 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: 2 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2189.398058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.398058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.398058 (E_RNA) where: Base-Base interactions energy: -1523.852 where: short stacking energy: -644.269 Base-Backbone interact. energy: -1.127 local terms energy: -664.419047 where: bonds (distance) C4'-P energy: -119.193 bonds (distance) P-C4' energy: -123.857 flat angles C4'-P-C4' energy: -142.424 flat angles P-C4'-P energy: -91.971 tors. eta vs tors. theta energy: -186.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2096.898132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.898132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.898132 (E_RNA) where: Base-Base interactions energy: -1430.881 where: short stacking energy: -602.333 Base-Backbone interact. energy: -0.368 local terms energy: -665.649300 where: bonds (distance) C4'-P energy: -120.888 bonds (distance) P-C4' energy: -118.647 flat angles C4'-P-C4' energy: -150.065 flat angles P-C4'-P energy: -89.737 tors. eta vs tors. theta energy: -186.313 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: 3, replica: 5 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2016.827318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.827318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.827318 (E_RNA) where: Base-Base interactions energy: -1386.542 where: short stacking energy: -576.858 Base-Backbone interact. energy: -4.635 local terms energy: -625.650720 where: bonds (distance) C4'-P energy: -126.170 bonds (distance) P-C4' energy: -135.606 flat angles C4'-P-C4' energy: -122.065 flat angles P-C4'-P energy: -87.820 tors. eta vs tors. theta energy: -153.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1900.048270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.048270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.048270 (E_RNA) where: Base-Base interactions energy: -1299.994 where: short stacking energy: -543.138 Base-Backbone interact. energy: -2.562 local terms energy: -597.491828 where: bonds (distance) C4'-P energy: -114.594 bonds (distance) P-C4' energy: -115.462 flat angles C4'-P-C4' energy: -121.612 flat angles P-C4'-P energy: -90.252 tors. eta vs tors. theta energy: -155.572 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: 7 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1814.897478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.897478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.897478 (E_RNA) where: Base-Base interactions energy: -1228.440 where: short stacking energy: -550.596 Base-Backbone interact. energy: -0.739 local terms energy: -585.718690 where: bonds (distance) C4'-P energy: -97.271 bonds (distance) P-C4' energy: -110.172 flat angles C4'-P-C4' energy: -133.321 flat angles P-C4'-P energy: -94.257 tors. eta vs tors. theta energy: -150.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1691.113182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.113182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.113182 (E_RNA) where: Base-Base interactions energy: -1153.015 where: short stacking energy: -511.473 Base-Backbone interact. energy: -0.787 local terms energy: -537.311190 where: bonds (distance) C4'-P energy: -90.446 bonds (distance) P-C4' energy: -106.681 flat angles C4'-P-C4' energy: -122.017 flat angles P-C4'-P energy: -79.486 tors. eta vs tors. theta energy: -138.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1568.151695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.151695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.151695 (E_RNA) where: Base-Base interactions energy: -1053.807 where: short stacking energy: -441.635 Base-Backbone interact. energy: 2.970 local terms energy: -517.314693 where: bonds (distance) C4'-P energy: -112.208 bonds (distance) P-C4' energy: -104.100 flat angles C4'-P-C4' energy: -104.399 flat angles P-C4'-P energy: -84.355 tors. eta vs tors. theta energy: -112.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1121.899864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.899864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.899864 (E_RNA) where: Base-Base interactions energy: -662.024 where: short stacking energy: -335.827 Base-Backbone interact. energy: 0.206 local terms energy: -460.081984 where: bonds (distance) C4'-P energy: -97.171 bonds (distance) P-C4' energy: -111.588 flat angles C4'-P-C4' energy: -103.118 flat angles P-C4'-P energy: -80.269 tors. eta vs tors. theta energy: -67.936 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: 9, replica: 1 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -953.440618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.440618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.440618 (E_RNA) where: Base-Base interactions energy: -549.294 where: short stacking energy: -233.010 Base-Backbone interact. energy: -3.238 local terms energy: -400.908985 where: bonds (distance) C4'-P energy: -95.191 bonds (distance) P-C4' energy: -118.311 flat angles C4'-P-C4' energy: -95.548 flat angles P-C4'-P energy: -65.671 tors. eta vs tors. theta energy: -26.187 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: 4 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -584.916216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.916216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.916216 (E_RNA) where: Base-Base interactions energy: -248.833 where: short stacking energy: -188.249 Base-Backbone interact. energy: -0.096 local terms energy: -335.986523 where: bonds (distance) C4'-P energy: -91.504 bonds (distance) P-C4' energy: -95.262 flat angles C4'-P-C4' energy: -99.755 flat angles P-C4'-P energy: -53.776 tors. eta vs tors. theta energy: 4.310 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: 2 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2186.051453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.051453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.051453 (E_RNA) where: Base-Base interactions energy: -1514.721 where: short stacking energy: -636.830 Base-Backbone interact. energy: -0.896 local terms energy: -670.434607 where: bonds (distance) C4'-P energy: -141.868 bonds (distance) P-C4' energy: -110.253 flat angles C4'-P-C4' energy: -142.153 flat angles P-C4'-P energy: -88.195 tors. eta vs tors. theta energy: -187.965 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: 3 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2064.585519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.585519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.585519 (E_RNA) where: Base-Base interactions energy: -1432.239 where: short stacking energy: -588.471 Base-Backbone interact. energy: -1.480 local terms energy: -630.866557 where: bonds (distance) C4'-P energy: -123.291 bonds (distance) P-C4' energy: -123.683 flat angles C4'-P-C4' energy: -124.206 flat angles P-C4'-P energy: -86.116 tors. eta vs tors. theta energy: -173.570 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: 5 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1991.038071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.038071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.038071 (E_RNA) where: Base-Base interactions energy: -1373.163 where: short stacking energy: -590.751 Base-Backbone interact. energy: 1.026 local terms energy: -618.900794 where: bonds (distance) C4'-P energy: -112.824 bonds (distance) P-C4' energy: -123.258 flat angles C4'-P-C4' energy: -133.712 flat angles P-C4'-P energy: -88.647 tors. eta vs tors. theta energy: -160.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1915.878174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.878174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.878174 (E_RNA) where: Base-Base interactions energy: -1337.557 where: short stacking energy: -570.144 Base-Backbone interact. energy: -1.245 local terms energy: -577.075494 where: bonds (distance) C4'-P energy: -100.639 bonds (distance) P-C4' energy: -116.014 flat angles C4'-P-C4' energy: -124.609 flat angles P-C4'-P energy: -74.822 tors. eta vs tors. theta energy: -160.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1823.195928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.195928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.195928 (E_RNA) where: Base-Base interactions energy: -1258.068 where: short stacking energy: -580.579 Base-Backbone interact. energy: 0.087 local terms energy: -565.215587 where: bonds (distance) C4'-P energy: -105.081 bonds (distance) P-C4' energy: -111.294 flat angles C4'-P-C4' energy: -119.369 flat angles P-C4'-P energy: -70.423 tors. eta vs tors. theta energy: -159.048 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: 6 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1690.633269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.633269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.633269 (E_RNA) where: Base-Base interactions energy: -1144.357 where: short stacking energy: -493.885 Base-Backbone interact. energy: -2.465 local terms energy: -543.811487 where: bonds (distance) C4'-P energy: -100.833 bonds (distance) P-C4' energy: -109.399 flat angles C4'-P-C4' energy: -117.390 flat angles P-C4'-P energy: -82.212 tors. eta vs tors. theta energy: -133.977 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: 7, replica: 10 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1542.792354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.792354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.792354 (E_RNA) where: Base-Base interactions energy: -1017.288 where: short stacking energy: -450.638 Base-Backbone interact. energy: -1.838 local terms energy: -523.666382 where: bonds (distance) C4'-P energy: -119.501 bonds (distance) P-C4' energy: -112.892 flat angles C4'-P-C4' energy: -106.857 flat angles P-C4'-P energy: -63.649 tors. eta vs tors. theta energy: -120.768 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: 9 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1079.437707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.437707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.437707 (E_RNA) where: Base-Base interactions energy: -646.908 where: short stacking energy: -321.305 Base-Backbone interact. energy: -0.682 local terms energy: -431.847307 where: bonds (distance) C4'-P energy: -121.197 bonds (distance) P-C4' energy: -113.161 flat angles C4'-P-C4' energy: -104.059 flat angles P-C4'-P energy: -53.169 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: 9, replica: 1 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -945.633503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.633503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.633503 (E_RNA) where: Base-Base interactions energy: -582.627 where: short stacking energy: -281.067 Base-Backbone interact. energy: 1.974 local terms energy: -364.980460 where: bonds (distance) C4'-P energy: -86.213 bonds (distance) P-C4' energy: -103.603 flat angles C4'-P-C4' energy: -68.908 flat angles P-C4'-P energy: -71.366 tors. eta vs tors. theta energy: -34.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -603.549718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.549718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.549718 (E_RNA) where: Base-Base interactions energy: -255.782 where: short stacking energy: -168.636 Base-Backbone interact. energy: -1.067 local terms energy: -346.700346 where: bonds (distance) C4'-P energy: -109.018 bonds (distance) P-C4' energy: -90.042 flat angles C4'-P-C4' energy: -97.683 flat angles P-C4'-P energy: -61.529 tors. eta vs tors. theta energy: 11.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2208.103583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.103583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.103583 (E_RNA) where: Base-Base interactions energy: -1543.867 where: short stacking energy: -649.363 Base-Backbone interact. energy: -2.710 local terms energy: -661.525699 where: bonds (distance) C4'-P energy: -118.986 bonds (distance) P-C4' energy: -129.727 flat angles C4'-P-C4' energy: -132.903 flat angles P-C4'-P energy: -94.319 tors. eta vs tors. theta energy: -185.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2051.427953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.427953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.427953 (E_RNA) where: Base-Base interactions energy: -1409.905 where: short stacking energy: -589.779 Base-Backbone interact. energy: 1.581 local terms energy: -643.103537 where: bonds (distance) C4'-P energy: -126.014 bonds (distance) P-C4' energy: -118.634 flat angles C4'-P-C4' energy: -145.448 flat angles P-C4'-P energy: -87.370 tors. eta vs tors. theta energy: -165.639 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: 5 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2002.491878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.491878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.491878 (E_RNA) where: Base-Base interactions energy: -1382.877 where: short stacking energy: -587.738 Base-Backbone interact. energy: -3.803 local terms energy: -615.811730 where: bonds (distance) C4'-P energy: -117.624 bonds (distance) P-C4' energy: -127.609 flat angles C4'-P-C4' energy: -133.764 flat angles P-C4'-P energy: -86.182 tors. eta vs tors. theta energy: -150.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1883.784099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.784099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.784099 (E_RNA) where: Base-Base interactions energy: -1273.355 where: short stacking energy: -547.061 Base-Backbone interact. energy: -4.783 local terms energy: -605.646328 where: bonds (distance) C4'-P energy: -107.044 bonds (distance) P-C4' energy: -123.211 flat angles C4'-P-C4' energy: -124.604 flat angles P-C4'-P energy: -98.322 tors. eta vs tors. theta energy: -152.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1856.852765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.852765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.852765 (E_RNA) where: Base-Base interactions energy: -1288.740 where: short stacking energy: -547.868 Base-Backbone interact. energy: 1.657 local terms energy: -569.769320 where: bonds (distance) C4'-P energy: -111.379 bonds (distance) P-C4' energy: -110.373 flat angles C4'-P-C4' energy: -129.644 flat angles P-C4'-P energy: -75.073 tors. eta vs tors. theta energy: -143.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1697.626837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.626837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.626837 (E_RNA) where: Base-Base interactions energy: -1142.013 where: short stacking energy: -495.686 Base-Backbone interact. energy: -3.030 local terms energy: -552.583643 where: bonds (distance) C4'-P energy: -113.372 bonds (distance) P-C4' energy: -114.370 flat angles C4'-P-C4' energy: -120.486 flat angles P-C4'-P energy: -73.971 tors. eta vs tors. theta energy: -130.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1525.167473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.167473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.167473 (E_RNA) where: Base-Base interactions energy: -1004.896 where: short stacking energy: -439.652 Base-Backbone interact. energy: -1.157 local terms energy: -519.114121 where: bonds (distance) C4'-P energy: -125.901 bonds (distance) P-C4' energy: -106.989 flat angles C4'-P-C4' energy: -108.133 flat angles P-C4'-P energy: -66.718 tors. eta vs tors. theta energy: -111.374 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: 8, replica: 9 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1040.036756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.036756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.036756 (E_RNA) where: Base-Base interactions energy: -623.952 where: short stacking energy: -314.955 Base-Backbone interact. energy: -1.235 local terms energy: -414.850232 where: bonds (distance) C4'-P energy: -91.673 bonds (distance) P-C4' energy: -104.275 flat angles C4'-P-C4' energy: -95.340 flat angles P-C4'-P energy: -75.763 tors. eta vs tors. theta energy: -47.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -872.178638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.178638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.178638 (E_RNA) where: Base-Base interactions energy: -516.144 where: short stacking energy: -237.682 Base-Backbone interact. energy: 4.713 local terms energy: -360.747823 where: bonds (distance) C4'-P energy: -105.675 bonds (distance) P-C4' energy: -91.246 flat angles C4'-P-C4' energy: -102.417 flat angles P-C4'-P energy: -42.235 tors. eta vs tors. theta energy: -19.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -550.765262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.765262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.765262 (E_RNA) where: Base-Base interactions energy: -233.249 where: short stacking energy: -134.240 Base-Backbone interact. energy: -2.077 local terms energy: -315.439759 where: bonds (distance) C4'-P energy: -103.874 bonds (distance) P-C4' energy: -104.419 flat angles C4'-P-C4' energy: -78.762 flat angles P-C4'-P energy: -57.850 tors. eta vs tors. theta energy: 29.466 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: 1, replica: 2 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2225.403317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.403317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.403317 (E_RNA) where: Base-Base interactions energy: -1540.747 where: short stacking energy: -661.611 Base-Backbone interact. energy: -4.753 local terms energy: -679.902913 where: bonds (distance) C4'-P energy: -108.959 bonds (distance) P-C4' energy: -135.205 flat angles C4'-P-C4' energy: -156.190 flat angles P-C4'-P energy: -94.700 tors. eta vs tors. theta energy: -184.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2048.921269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.921269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.921269 (E_RNA) where: Base-Base interactions energy: -1396.794 where: short stacking energy: -577.314 Base-Backbone interact. energy: -2.253 local terms energy: -649.874443 where: bonds (distance) C4'-P energy: -119.410 bonds (distance) P-C4' energy: -121.121 flat angles C4'-P-C4' energy: -143.934 flat angles P-C4'-P energy: -94.366 tors. eta vs tors. theta energy: -171.044 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: 5 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2029.332612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.332612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.332612 (E_RNA) where: Base-Base interactions energy: -1415.386 where: short stacking energy: -593.718 Base-Backbone interact. energy: -4.554 local terms energy: -609.392156 where: bonds (distance) C4'-P energy: -118.825 bonds (distance) P-C4' energy: -118.352 flat angles C4'-P-C4' energy: -131.904 flat angles P-C4'-P energy: -84.013 tors. eta vs tors. theta energy: -156.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1861.098920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.098920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.098920 (E_RNA) where: Base-Base interactions energy: -1271.214 where: short stacking energy: -536.729 Base-Backbone interact. energy: -1.823 local terms energy: -588.062648 where: bonds (distance) C4'-P energy: -112.463 bonds (distance) P-C4' energy: -125.414 flat angles C4'-P-C4' energy: -124.747 flat angles P-C4'-P energy: -69.206 tors. eta vs tors. theta energy: -156.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1790.975787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.975787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.975787 (E_RNA) where: Base-Base interactions energy: -1228.883 where: short stacking energy: -538.425 Base-Backbone interact. energy: -1.313 local terms energy: -560.780373 where: bonds (distance) C4'-P energy: -93.427 bonds (distance) P-C4' energy: -115.431 flat angles C4'-P-C4' energy: -124.211 flat angles P-C4'-P energy: -93.571 tors. eta vs tors. theta energy: -134.140 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: 208 Temperature: 1.150000 Total energy: -1677.516544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.516544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.516544 (E_RNA) where: Base-Base interactions energy: -1144.371 where: short stacking energy: -523.584 Base-Backbone interact. energy: -1.242 local terms energy: -531.903455 where: bonds (distance) C4'-P energy: -97.309 bonds (distance) P-C4' energy: -112.056 flat angles C4'-P-C4' energy: -116.537 flat angles P-C4'-P energy: -73.188 tors. eta vs tors. theta energy: -132.813 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: 7, replica: 10 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1634.029987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.029987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.029987 (E_RNA) where: Base-Base interactions energy: -1108.934 where: short stacking energy: -457.555 Base-Backbone interact. energy: 0.414 local terms energy: -525.510244 where: bonds (distance) C4'-P energy: -106.635 bonds (distance) P-C4' energy: -109.944 flat angles C4'-P-C4' energy: -117.870 flat angles P-C4'-P energy: -76.023 tors. eta vs tors. theta energy: -115.038 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: 9 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1099.620525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.620525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.620525 (E_RNA) where: Base-Base interactions energy: -691.689 where: short stacking energy: -356.332 Base-Backbone interact. energy: -1.897 local terms energy: -406.035180 where: bonds (distance) C4'-P energy: -95.573 bonds (distance) P-C4' energy: -90.646 flat angles C4'-P-C4' energy: -89.141 flat angles P-C4'-P energy: -58.800 tors. eta vs tors. theta energy: -71.876 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: 1 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -910.718988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.718988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.718988 (E_RNA) where: Base-Base interactions energy: -510.316 where: short stacking energy: -253.327 Base-Backbone interact. energy: -1.507 local terms energy: -398.895474 where: bonds (distance) C4'-P energy: -98.802 bonds (distance) P-C4' energy: -90.839 flat angles C4'-P-C4' energy: -93.274 flat angles P-C4'-P energy: -66.517 tors. eta vs tors. theta energy: -49.462 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: 10, replica: 4 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -594.642693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.642693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.642693 (E_RNA) where: Base-Base interactions energy: -280.525 where: short stacking energy: -166.083 Base-Backbone interact. energy: 1.201 local terms energy: -315.318132 where: bonds (distance) C4'-P energy: -106.763 bonds (distance) P-C4' energy: -111.514 flat angles C4'-P-C4' energy: -67.134 flat angles P-C4'-P energy: -49.764 tors. eta vs tors. theta energy: 19.857 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: 1, replica: 2 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2183.123952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.123952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.123952 (E_RNA) where: Base-Base interactions energy: -1542.479 where: short stacking energy: -656.799 Base-Backbone interact. energy: 1.569 local terms energy: -642.213781 where: bonds (distance) C4'-P energy: -113.337 bonds (distance) P-C4' energy: -114.237 flat angles C4'-P-C4' energy: -138.195 flat angles P-C4'-P energy: -99.972 tors. eta vs tors. theta energy: -176.472 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: 3 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2055.335266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.335266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.335266 (E_RNA) where: Base-Base interactions energy: -1441.783 where: short stacking energy: -602.708 Base-Backbone interact. energy: -4.316 local terms energy: -609.236194 where: bonds (distance) C4'-P energy: -109.579 bonds (distance) P-C4' energy: -122.778 flat angles C4'-P-C4' energy: -128.522 flat angles P-C4'-P energy: -82.959 tors. eta vs tors. theta energy: -165.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2012.392044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.392044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.392044 (E_RNA) where: Base-Base interactions energy: -1385.715 where: short stacking energy: -595.020 Base-Backbone interact. energy: -5.327 local terms energy: -621.350588 where: bonds (distance) C4'-P energy: -115.825 bonds (distance) P-C4' energy: -114.366 flat angles C4'-P-C4' energy: -125.188 flat angles P-C4'-P energy: -99.554 tors. eta vs tors. theta energy: -166.418 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: 7 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1835.590133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.590133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.590133 (E_RNA) where: Base-Base interactions energy: -1272.495 where: short stacking energy: -566.077 Base-Backbone interact. energy: 2.716 local terms energy: -565.811352 where: bonds (distance) C4'-P energy: -105.940 bonds (distance) P-C4' energy: -109.206 flat angles C4'-P-C4' energy: -128.991 flat angles P-C4'-P energy: -72.388 tors. eta vs tors. theta energy: -149.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1827.568099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.568099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.568099 (E_RNA) where: Base-Base interactions energy: -1255.239 where: short stacking energy: -538.855 Base-Backbone interact. energy: -0.654 local terms energy: -571.674687 where: bonds (distance) C4'-P energy: -121.967 bonds (distance) P-C4' energy: -106.241 flat angles C4'-P-C4' energy: -127.438 flat angles P-C4'-P energy: -67.258 tors. eta vs tors. theta energy: -148.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1717.790657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.790657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.790657 (E_RNA) where: Base-Base interactions energy: -1167.377 where: short stacking energy: -521.956 Base-Backbone interact. energy: 0.749 local terms energy: -551.163070 where: bonds (distance) C4'-P energy: -96.032 bonds (distance) P-C4' energy: -109.540 flat angles C4'-P-C4' energy: -126.773 flat angles P-C4'-P energy: -82.917 tors. eta vs tors. theta energy: -135.901 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: 209 Temperature: 1.200000 Total energy: -1643.479261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.479261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.479261 (E_RNA) where: Base-Base interactions energy: -1102.383 where: short stacking energy: -511.233 Base-Backbone interact. energy: -0.919 local terms energy: -540.177039 where: bonds (distance) C4'-P energy: -109.286 bonds (distance) P-C4' energy: -94.068 flat angles C4'-P-C4' energy: -122.054 flat angles P-C4'-P energy: -67.587 tors. eta vs tors. theta energy: -147.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1061.883442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.883442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.883442 (E_RNA) where: Base-Base interactions energy: -636.033 where: short stacking energy: -303.084 Base-Backbone interact. energy: 0.745 local terms energy: -426.594908 where: bonds (distance) C4'-P energy: -118.512 bonds (distance) P-C4' energy: -102.056 flat angles C4'-P-C4' energy: -104.742 flat angles P-C4'-P energy: -60.916 tors. eta vs tors. theta energy: -40.369 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: 1 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -860.193674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.193674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.193674 (E_RNA) where: Base-Base interactions energy: -521.159 where: short stacking energy: -271.336 Base-Backbone interact. energy: 1.692 local terms energy: -340.727259 where: bonds (distance) C4'-P energy: -66.328 bonds (distance) P-C4' energy: -115.601 flat angles C4'-P-C4' energy: -68.477 flat angles P-C4'-P energy: -55.844 tors. eta vs tors. theta energy: -34.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -600.378181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.378181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.378181 (E_RNA) where: Base-Base interactions energy: -280.638 where: short stacking energy: -162.844 Base-Backbone interact. energy: -0.633 local terms energy: -319.106207 where: bonds (distance) C4'-P energy: -105.999 bonds (distance) P-C4' energy: -85.198 flat angles C4'-P-C4' energy: -89.273 flat angles P-C4'-P energy: -58.310 tors. eta vs tors. theta energy: 19.673 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: 1, replica: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2101.954773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.954773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.954773 (E_RNA) where: Base-Base interactions energy: -1458.491 where: short stacking energy: -603.351 Base-Backbone interact. energy: -3.113 local terms energy: -640.350367 where: bonds (distance) C4'-P energy: -125.258 bonds (distance) P-C4' energy: -114.774 flat angles C4'-P-C4' energy: -135.742 flat angles P-C4'-P energy: -85.924 tors. eta vs tors. theta energy: -178.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2177.339084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.339084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.339084 (E_RNA) where: Base-Base interactions energy: -1504.580 where: short stacking energy: -648.916 Base-Backbone interact. energy: 1.108 local terms energy: -673.866910 where: bonds (distance) C4'-P energy: -129.682 bonds (distance) P-C4' energy: -127.020 flat angles C4'-P-C4' energy: -134.417 flat angles P-C4'-P energy: -92.925 tors. eta vs tors. theta energy: -189.822 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: 5 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2045.010378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.010378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.010378 (E_RNA) where: Base-Base interactions energy: -1428.371 where: short stacking energy: -617.046 Base-Backbone interact. energy: -2.038 local terms energy: -614.601898 where: bonds (distance) C4'-P energy: -117.039 bonds (distance) P-C4' energy: -114.843 flat angles C4'-P-C4' energy: -131.717 flat angles P-C4'-P energy: -86.883 tors. eta vs tors. theta energy: -164.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1838.255693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.255693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.255693 (E_RNA) where: Base-Base interactions energy: -1263.410 where: short stacking energy: -555.556 Base-Backbone interact. energy: -0.758 local terms energy: -574.087595 where: bonds (distance) C4'-P energy: -100.743 bonds (distance) P-C4' energy: -111.419 flat angles C4'-P-C4' energy: -135.173 flat angles P-C4'-P energy: -75.965 tors. eta vs tors. theta energy: -150.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1838.130313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.130313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.130313 (E_RNA) where: Base-Base interactions energy: -1282.518 where: short stacking energy: -562.539 Base-Backbone interact. energy: -0.498 local terms energy: -555.114330 where: bonds (distance) C4'-P energy: -96.315 bonds (distance) P-C4' energy: -101.371 flat angles C4'-P-C4' energy: -133.035 flat angles P-C4'-P energy: -74.231 tors. eta vs tors. theta energy: -150.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1701.878532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.878532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.878532 (E_RNA) where: Base-Base interactions energy: -1192.184 where: short stacking energy: -520.273 Base-Backbone interact. energy: -0.539 local terms energy: -509.155583 where: bonds (distance) C4'-P energy: -106.174 bonds (distance) P-C4' energy: -96.631 flat angles C4'-P-C4' energy: -114.999 flat angles P-C4'-P energy: -57.700 tors. eta vs tors. theta energy: -133.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1675.909886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.909886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.909886 (E_RNA) where: Base-Base interactions energy: -1133.904 where: short stacking energy: -489.606 Base-Backbone interact. energy: 1.240 local terms energy: -543.246562 where: bonds (distance) C4'-P energy: -93.234 bonds (distance) P-C4' energy: -114.461 flat angles C4'-P-C4' energy: -125.302 flat angles P-C4'-P energy: -71.782 tors. eta vs tors. theta energy: -138.469 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: 9 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1074.413610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.413610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.413610 (E_RNA) where: Base-Base interactions energy: -659.117 where: short stacking energy: -329.555 Base-Backbone interact. energy: -1.761 local terms energy: -413.535913 where: bonds (distance) C4'-P energy: -101.965 bonds (distance) P-C4' energy: -107.822 flat angles C4'-P-C4' energy: -109.505 flat angles P-C4'-P energy: -34.028 tors. eta vs tors. theta energy: -60.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -874.506257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.506257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.506257 (E_RNA) where: Base-Base interactions energy: -507.334 where: short stacking energy: -256.705 Base-Backbone interact. energy: 0.796 local terms energy: -367.967853 where: bonds (distance) C4'-P energy: -83.744 bonds (distance) P-C4' energy: -101.336 flat angles C4'-P-C4' energy: -100.623 flat angles P-C4'-P energy: -54.125 tors. eta vs tors. theta energy: -28.139 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: 4 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -625.346319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.346319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.346319 (E_RNA) where: Base-Base interactions energy: -311.104 where: short stacking energy: -160.398 Base-Backbone interact. energy: 1.705 local terms energy: -315.947489 where: bonds (distance) C4'-P energy: -98.845 bonds (distance) P-C4' energy: -105.106 flat angles C4'-P-C4' energy: -74.965 flat angles P-C4'-P energy: -58.458 tors. eta vs tors. theta energy: 21.426 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: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2119.692333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.692333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.692333 (E_RNA) where: Base-Base interactions energy: -1494.648 where: short stacking energy: -637.514 Base-Backbone interact. energy: -1.272 local terms energy: -623.772801 where: bonds (distance) C4'-P energy: -117.806 bonds (distance) P-C4' energy: -103.761 flat angles C4'-P-C4' energy: -136.556 flat angles P-C4'-P energy: -82.714 tors. eta vs tors. theta energy: -182.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2126.136970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.136970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.136970 (E_RNA) where: Base-Base interactions energy: -1477.516 where: short stacking energy: -645.659 Base-Backbone interact. energy: -3.275 local terms energy: -645.346277 where: bonds (distance) C4'-P energy: -118.097 bonds (distance) P-C4' energy: -126.331 flat angles C4'-P-C4' energy: -130.658 flat angles P-C4'-P energy: -82.477 tors. eta vs tors. theta energy: -187.783 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: 5 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1999.708336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.708336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.708336 (E_RNA) where: Base-Base interactions energy: -1388.468 where: short stacking energy: -599.160 Base-Backbone interact. energy: -1.765 local terms energy: -609.475562 where: bonds (distance) C4'-P energy: -121.844 bonds (distance) P-C4' energy: -116.924 flat angles C4'-P-C4' energy: -131.805 flat angles P-C4'-P energy: -82.676 tors. eta vs tors. theta energy: -156.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1905.407641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.407641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.407641 (E_RNA) where: Base-Base interactions energy: -1312.910 where: short stacking energy: -581.730 Base-Backbone interact. energy: -4.394 local terms energy: -588.103547 where: bonds (distance) C4'-P energy: -103.416 bonds (distance) P-C4' energy: -105.225 flat angles C4'-P-C4' energy: -136.700 flat angles P-C4'-P energy: -86.049 tors. eta vs tors. theta energy: -156.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1798.191315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.191315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.191315 (E_RNA) where: Base-Base interactions energy: -1232.758 where: short stacking energy: -522.579 Base-Backbone interact. energy: 0.068 local terms energy: -565.500995 where: bonds (distance) C4'-P energy: -105.476 bonds (distance) P-C4' energy: -121.234 flat angles C4'-P-C4' energy: -125.953 flat angles P-C4'-P energy: -73.482 tors. eta vs tors. theta energy: -139.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1681.748796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.748796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.748796 (E_RNA) where: Base-Base interactions energy: -1120.488 where: short stacking energy: -505.064 Base-Backbone interact. energy: 2.640 local terms energy: -563.901627 where: bonds (distance) C4'-P energy: -106.154 bonds (distance) P-C4' energy: -122.919 flat angles C4'-P-C4' energy: -128.615 flat angles P-C4'-P energy: -73.272 tors. eta vs tors. theta energy: -132.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1613.900274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.900274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.900274 (E_RNA) where: Base-Base interactions energy: -1106.235 where: short stacking energy: -471.965 Base-Backbone interact. energy: -0.776 local terms energy: -506.888783 where: bonds (distance) C4'-P energy: -95.236 bonds (distance) P-C4' energy: -94.879 flat angles C4'-P-C4' energy: -101.842 flat angles P-C4'-P energy: -86.492 tors. eta vs tors. theta energy: -128.440 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: 9 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1113.279295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.279295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.279295 (E_RNA) where: Base-Base interactions energy: -676.467 where: short stacking energy: -347.535 Base-Backbone interact. energy: -1.620 local terms energy: -435.191452 where: bonds (distance) C4'-P energy: -118.798 bonds (distance) P-C4' energy: -102.616 flat angles C4'-P-C4' energy: -102.407 flat angles P-C4'-P energy: -61.660 tors. eta vs tors. theta energy: -49.711 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: 1 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -859.982154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.982154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.982154 (E_RNA) where: Base-Base interactions energy: -500.885 where: short stacking energy: -254.878 Base-Backbone interact. energy: 2.243 local terms energy: -361.339933 where: bonds (distance) C4'-P energy: -98.623 bonds (distance) P-C4' energy: -101.853 flat angles C4'-P-C4' energy: -88.646 flat angles P-C4'-P energy: -42.001 tors. eta vs tors. theta energy: -30.218 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: 4 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -582.686524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.686524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.686524 (E_RNA) where: Base-Base interactions energy: -247.063 where: short stacking energy: -164.410 Base-Backbone interact. energy: -2.647 local terms energy: -332.976458 where: bonds (distance) C4'-P energy: -106.246 bonds (distance) P-C4' energy: -115.787 flat angles C4'-P-C4' energy: -80.988 flat angles P-C4'-P energy: -39.773 tors. eta vs tors. theta energy: 9.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2195.824964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.824964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.824964 (E_RNA) where: Base-Base interactions energy: -1531.733 where: short stacking energy: -654.974 Base-Backbone interact. energy: -1.939 local terms energy: -662.153164 where: bonds (distance) C4'-P energy: -104.636 bonds (distance) P-C4' energy: -132.927 flat angles C4'-P-C4' energy: -145.490 flat angles P-C4'-P energy: -87.144 tors. eta vs tors. theta energy: -191.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2050.508068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.508068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.508068 (E_RNA) where: Base-Base interactions energy: -1411.470 where: short stacking energy: -596.937 Base-Backbone interact. energy: -3.501 local terms energy: -635.537060 where: bonds (distance) C4'-P energy: -112.055 bonds (distance) P-C4' energy: -123.443 flat angles C4'-P-C4' energy: -143.962 flat angles P-C4'-P energy: -75.627 tors. eta vs tors. theta energy: -180.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2013.042108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.042108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.042108 (E_RNA) where: Base-Base interactions energy: -1396.522 where: short stacking energy: -599.307 Base-Backbone interact. energy: -3.588 local terms energy: -612.932152 where: bonds (distance) C4'-P energy: -106.263 bonds (distance) P-C4' energy: -110.344 flat angles C4'-P-C4' energy: -133.178 flat angles P-C4'-P energy: -94.090 tors. eta vs tors. theta energy: -169.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1915.641361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.641361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.641361 (E_RNA) where: Base-Base interactions energy: -1330.352 where: short stacking energy: -583.994 Base-Backbone interact. energy: -1.096 local terms energy: -584.193100 where: bonds (distance) C4'-P energy: -114.587 bonds (distance) P-C4' energy: -112.226 flat angles C4'-P-C4' energy: -122.408 flat angles P-C4'-P energy: -76.325 tors. eta vs tors. theta energy: -158.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1824.300711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.300711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.300711 (E_RNA) where: Base-Base interactions energy: -1297.148 where: short stacking energy: -556.169 Base-Backbone interact. energy: -1.494 local terms energy: -525.658599 where: bonds (distance) C4'-P energy: -86.285 bonds (distance) P-C4' energy: -98.332 flat angles C4'-P-C4' energy: -124.236 flat angles P-C4'-P energy: -69.960 tors. eta vs tors. theta energy: -146.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1730.030005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.030005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.030005 (E_RNA) where: Base-Base interactions energy: -1177.566 where: short stacking energy: -546.391 Base-Backbone interact. energy: -1.143 local terms energy: -551.321202 where: bonds (distance) C4'-P energy: -102.544 bonds (distance) P-C4' energy: -106.667 flat angles C4'-P-C4' energy: -111.481 flat angles P-C4'-P energy: -78.980 tors. eta vs tors. theta energy: -151.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1554.592225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.592225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.592225 (E_RNA) where: Base-Base interactions energy: -1016.746 where: short stacking energy: -441.811 Base-Backbone interact. energy: -0.239 local terms energy: -537.606990 where: bonds (distance) C4'-P energy: -113.832 bonds (distance) P-C4' energy: -105.345 flat angles C4'-P-C4' energy: -120.672 flat angles P-C4'-P energy: -76.223 tors. eta vs tors. theta energy: -121.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1170.611219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.611219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.611219 (E_RNA) where: Base-Base interactions energy: -709.347 where: short stacking energy: -330.862 Base-Backbone interact. energy: 0.793 local terms energy: -462.057026 where: bonds (distance) C4'-P energy: -100.679 bonds (distance) P-C4' energy: -112.238 flat angles C4'-P-C4' energy: -110.662 flat angles P-C4'-P energy: -66.887 tors. eta vs tors. theta energy: -71.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -842.897847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.897847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.897847 (E_RNA) where: Base-Base interactions energy: -465.726 where: short stacking energy: -252.648 Base-Backbone interact. energy: -0.560 local terms energy: -376.611314 where: bonds (distance) C4'-P energy: -100.727 bonds (distance) P-C4' energy: -105.256 flat angles C4'-P-C4' energy: -76.009 flat angles P-C4'-P energy: -67.390 tors. eta vs tors. theta energy: -27.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -555.510087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.510087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.510087 (E_RNA) where: Base-Base interactions energy: -225.938 where: short stacking energy: -168.968 Base-Backbone interact. energy: 11.672 local terms energy: -341.243830 where: bonds (distance) C4'-P energy: -90.168 bonds (distance) P-C4' energy: -105.036 flat angles C4'-P-C4' energy: -101.473 flat angles P-C4'-P energy: -49.003 tors. eta vs tors. theta energy: 4.437 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: 2 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2198.451592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.451592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.451592 (E_RNA) where: Base-Base interactions energy: -1542.959 where: short stacking energy: -663.941 Base-Backbone interact. energy: 4.210 local terms energy: -659.703116 where: bonds (distance) C4'-P energy: -116.713 bonds (distance) P-C4' energy: -125.515 flat angles C4'-P-C4' energy: -131.674 flat angles P-C4'-P energy: -97.339 tors. eta vs tors. theta energy: -188.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2036.268316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.268316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.268316 (E_RNA) where: Base-Base interactions energy: -1393.264 where: short stacking energy: -615.802 Base-Backbone interact. energy: -1.302 local terms energy: -641.702437 where: bonds (distance) C4'-P energy: -132.989 bonds (distance) P-C4' energy: -128.737 flat angles C4'-P-C4' energy: -137.809 flat angles P-C4'-P energy: -80.507 tors. eta vs tors. theta energy: -161.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2010.414284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.414284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.414284 (E_RNA) where: Base-Base interactions energy: -1401.817 where: short stacking energy: -587.745 Base-Backbone interact. energy: -2.157 local terms energy: -606.440872 where: bonds (distance) C4'-P energy: -104.502 bonds (distance) P-C4' energy: -112.983 flat angles C4'-P-C4' energy: -130.231 flat angles P-C4'-P energy: -93.413 tors. eta vs tors. theta energy: -165.313 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: 8 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1875.399273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.399273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.399273 (E_RNA) where: Base-Base interactions energy: -1261.120 where: short stacking energy: -536.839 Base-Backbone interact. energy: -2.301 local terms energy: -611.978619 where: bonds (distance) C4'-P energy: -124.335 bonds (distance) P-C4' energy: -115.347 flat angles C4'-P-C4' energy: -130.676 flat angles P-C4'-P energy: -88.093 tors. eta vs tors. theta energy: -153.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1803.273344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.273344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.273344 (E_RNA) where: Base-Base interactions energy: -1214.555 where: short stacking energy: -537.833 Base-Backbone interact. energy: -2.945 local terms energy: -585.773302 where: bonds (distance) C4'-P energy: -99.645 bonds (distance) P-C4' energy: -122.605 flat angles C4'-P-C4' energy: -130.052 flat angles P-C4'-P energy: -85.146 tors. eta vs tors. theta energy: -148.325 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: 213 Temperature: 1.150000 Total energy: -1682.069728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.069728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.069728 (E_RNA) where: Base-Base interactions energy: -1135.234 where: short stacking energy: -504.404 Base-Backbone interact. energy: 2.213 local terms energy: -549.049424 where: bonds (distance) C4'-P energy: -112.397 bonds (distance) P-C4' energy: -106.256 flat angles C4'-P-C4' energy: -121.305 flat angles P-C4'-P energy: -71.325 tors. eta vs tors. theta energy: -137.767 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: 7, replica: 10 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1577.938054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.938054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.938054 (E_RNA) where: Base-Base interactions energy: -1072.666 where: short stacking energy: -491.727 Base-Backbone interact. energy: -2.954 local terms energy: -502.318363 where: bonds (distance) C4'-P energy: -95.921 bonds (distance) P-C4' energy: -88.229 flat angles C4'-P-C4' energy: -109.313 flat angles P-C4'-P energy: -79.395 tors. eta vs tors. theta energy: -129.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1124.340587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.340587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.340587 (E_RNA) where: Base-Base interactions energy: -705.230 where: short stacking energy: -357.179 Base-Backbone interact. energy: 0.231 local terms energy: -419.341073 where: bonds (distance) C4'-P energy: -108.760 bonds (distance) P-C4' energy: -86.366 flat angles C4'-P-C4' energy: -107.949 flat angles P-C4'-P energy: -57.198 tors. eta vs tors. theta energy: -59.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -906.417825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.417825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.417825 (E_RNA) where: Base-Base interactions energy: -505.858 where: short stacking energy: -257.979 Base-Backbone interact. energy: -1.484 local terms energy: -399.075695 where: bonds (distance) C4'-P energy: -86.106 bonds (distance) P-C4' energy: -112.432 flat angles C4'-P-C4' energy: -120.415 flat angles P-C4'-P energy: -65.149 tors. eta vs tors. theta energy: -14.974 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: 4 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -461.352226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.352226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.352226 (E_RNA) where: Base-Base interactions energy: -160.314 where: short stacking energy: -142.875 Base-Backbone interact. energy: 1.973 local terms energy: -303.010733 where: bonds (distance) C4'-P energy: -101.051 bonds (distance) P-C4' energy: -93.424 flat angles C4'-P-C4' energy: -70.936 flat angles P-C4'-P energy: -54.524 tors. eta vs tors. theta energy: 16.925 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: 2 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2191.365514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.365514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.365514 (E_RNA) where: Base-Base interactions energy: -1521.303 where: short stacking energy: -648.694 Base-Backbone interact. energy: -0.268 local terms energy: -669.794910 where: bonds (distance) C4'-P energy: -117.348 bonds (distance) P-C4' energy: -127.919 flat angles C4'-P-C4' energy: -142.476 flat angles P-C4'-P energy: -95.327 tors. eta vs tors. theta energy: -186.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2057.549668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.549668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.549668 (E_RNA) where: Base-Base interactions energy: -1412.210 where: short stacking energy: -610.390 Base-Backbone interact. energy: -3.168 local terms energy: -642.172219 where: bonds (distance) C4'-P energy: -108.545 bonds (distance) P-C4' energy: -127.771 flat angles C4'-P-C4' energy: -134.577 flat angles P-C4'-P energy: -91.691 tors. eta vs tors. theta energy: -179.587 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: 3, replica: 5 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2019.447829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.447829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.447829 (E_RNA) where: Base-Base interactions energy: -1406.342 where: short stacking energy: -588.660 Base-Backbone interact. energy: -1.876 local terms energy: -611.230192 where: bonds (distance) C4'-P energy: -117.967 bonds (distance) P-C4' energy: -107.498 flat angles C4'-P-C4' energy: -128.170 flat angles P-C4'-P energy: -92.223 tors. eta vs tors. theta energy: -165.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1867.255562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.255562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.255562 (E_RNA) where: Base-Base interactions energy: -1290.425 where: short stacking energy: -553.273 Base-Backbone interact. energy: -2.581 local terms energy: -574.249506 where: bonds (distance) C4'-P energy: -103.129 bonds (distance) P-C4' energy: -103.399 flat angles C4'-P-C4' energy: -128.459 flat angles P-C4'-P energy: -85.122 tors. eta vs tors. theta energy: -154.141 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: 5, replica: 7 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1816.838177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.838177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.838177 (E_RNA) where: Base-Base interactions energy: -1258.871 where: short stacking energy: -521.222 Base-Backbone interact. energy: -3.325 local terms energy: -554.642569 where: bonds (distance) C4'-P energy: -97.937 bonds (distance) P-C4' energy: -110.956 flat angles C4'-P-C4' energy: -119.986 flat angles P-C4'-P energy: -75.484 tors. eta vs tors. theta energy: -150.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1678.359212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.359212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.359212 (E_RNA) where: Base-Base interactions energy: -1152.929 where: short stacking energy: -509.507 Base-Backbone interact. energy: -1.432 local terms energy: -523.998194 where: bonds (distance) C4'-P energy: -90.100 bonds (distance) P-C4' energy: -118.294 flat angles C4'-P-C4' energy: -124.834 flat angles P-C4'-P energy: -55.100 tors. eta vs tors. theta energy: -135.670 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: 7, replica: 10 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1585.044352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.044352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.044352 (E_RNA) where: Base-Base interactions energy: -1083.301 where: short stacking energy: -450.310 Base-Backbone interact. energy: -0.522 local terms energy: -501.221036 where: bonds (distance) C4'-P energy: -97.180 bonds (distance) P-C4' energy: -100.495 flat angles C4'-P-C4' energy: -117.090 flat angles P-C4'-P energy: -64.131 tors. eta vs tors. theta energy: -122.324 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: 9 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1129.064944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.064944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.064944 (E_RNA) where: Base-Base interactions energy: -688.496 where: short stacking energy: -325.733 Base-Backbone interact. energy: 1.203 local terms energy: -441.772323 where: bonds (distance) C4'-P energy: -99.234 bonds (distance) P-C4' energy: -113.522 flat angles C4'-P-C4' energy: -108.693 flat angles P-C4'-P energy: -60.221 tors. eta vs tors. theta energy: -60.102 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: 1 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -840.561351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.561351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.561351 (E_RNA) where: Base-Base interactions energy: -493.471 where: short stacking energy: -275.565 Base-Backbone interact. energy: -0.161 local terms energy: -346.929748 where: bonds (distance) C4'-P energy: -84.642 bonds (distance) P-C4' energy: -97.259 flat angles C4'-P-C4' energy: -99.608 flat angles P-C4'-P energy: -40.479 tors. eta vs tors. theta energy: -24.942 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: 4 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -471.037027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.037027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.037027 (E_RNA) where: Base-Base interactions energy: -148.598 where: short stacking energy: -135.075 Base-Backbone interact. energy: -1.729 local terms energy: -320.709325 where: bonds (distance) C4'-P energy: -83.940 bonds (distance) P-C4' energy: -117.510 flat angles C4'-P-C4' energy: -90.226 flat angles P-C4'-P energy: -48.165 tors. eta vs tors. theta energy: 19.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2191.786137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.786137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.786137 (E_RNA) where: Base-Base interactions energy: -1551.233 where: short stacking energy: -669.017 Base-Backbone interact. energy: -1.781 local terms energy: -638.772567 where: bonds (distance) C4'-P energy: -119.470 bonds (distance) P-C4' energy: -118.198 flat angles C4'-P-C4' energy: -133.330 flat angles P-C4'-P energy: -91.691 tors. eta vs tors. theta energy: -176.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2049.609042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.609042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.609042 (E_RNA) where: Base-Base interactions energy: -1431.541 where: short stacking energy: -602.239 Base-Backbone interact. energy: -0.119 local terms energy: -617.948750 where: bonds (distance) C4'-P energy: -114.515 bonds (distance) P-C4' energy: -110.957 flat angles C4'-P-C4' energy: -133.226 flat angles P-C4'-P energy: -78.032 tors. eta vs tors. theta energy: -181.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2044.597550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.597550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.597550 (E_RNA) where: Base-Base interactions energy: -1384.729 where: short stacking energy: -594.736 Base-Backbone interact. energy: -0.303 local terms energy: -659.565757 where: bonds (distance) C4'-P energy: -121.639 bonds (distance) P-C4' energy: -127.933 flat angles C4'-P-C4' energy: -145.457 flat angles P-C4'-P energy: -101.911 tors. eta vs tors. theta energy: -162.626 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: 215 Temperature: 1.050000 Total energy: -1892.454856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.454856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.454856 (E_RNA) where: Base-Base interactions energy: -1305.447 where: short stacking energy: -561.268 Base-Backbone interact. energy: -2.629 local terms energy: -584.378968 where: bonds (distance) C4'-P energy: -103.568 bonds (distance) P-C4' energy: -102.912 flat angles C4'-P-C4' energy: -128.339 flat angles P-C4'-P energy: -76.579 tors. eta vs tors. theta energy: -172.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1815.844928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.844928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.844928 (E_RNA) where: Base-Base interactions energy: -1241.623 where: short stacking energy: -529.801 Base-Backbone interact. energy: -4.387 local terms energy: -569.834883 where: bonds (distance) C4'-P energy: -94.867 bonds (distance) P-C4' energy: -124.515 flat angles C4'-P-C4' energy: -121.132 flat angles P-C4'-P energy: -84.545 tors. eta vs tors. theta energy: -144.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1709.174947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.174947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.174947 (E_RNA) where: Base-Base interactions energy: -1172.628 where: short stacking energy: -531.273 Base-Backbone interact. energy: -1.432 local terms energy: -535.115252 where: bonds (distance) C4'-P energy: -103.215 bonds (distance) P-C4' energy: -108.613 flat angles C4'-P-C4' energy: -115.113 flat angles P-C4'-P energy: -72.420 tors. eta vs tors. theta energy: -135.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1549.530899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.530899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.530899 (E_RNA) where: Base-Base interactions energy: -1052.860 where: short stacking energy: -472.380 Base-Backbone interact. energy: 0.614 local terms energy: -497.284538 where: bonds (distance) C4'-P energy: -99.672 bonds (distance) P-C4' energy: -95.795 flat angles C4'-P-C4' energy: -116.930 flat angles P-C4'-P energy: -71.897 tors. eta vs tors. theta energy: -112.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1104.866664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.866664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.866664 (E_RNA) where: Base-Base interactions energy: -692.438 where: short stacking energy: -345.142 Base-Backbone interact. energy: 0.096 local terms energy: -412.524813 where: bonds (distance) C4'-P energy: -89.539 bonds (distance) P-C4' energy: -100.083 flat angles C4'-P-C4' energy: -89.987 flat angles P-C4'-P energy: -70.058 tors. eta vs tors. theta energy: -62.858 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: 1 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -849.076701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.076701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.076701 (E_RNA) where: Base-Base interactions energy: -497.246 where: short stacking energy: -265.204 Base-Backbone interact. energy: 1.253 local terms energy: -353.083453 where: bonds (distance) C4'-P energy: -79.973 bonds (distance) P-C4' energy: -114.285 flat angles C4'-P-C4' energy: -87.804 flat angles P-C4'-P energy: -55.712 tors. eta vs tors. theta energy: -15.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -501.943349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.943349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.943349 (E_RNA) where: Base-Base interactions energy: -189.020 where: short stacking energy: -137.487 Base-Backbone interact. energy: 0.251 local terms energy: -313.174983 where: bonds (distance) C4'-P energy: -106.197 bonds (distance) P-C4' energy: -92.225 flat angles C4'-P-C4' energy: -86.108 flat angles P-C4'-P energy: -54.296 tors. eta vs tors. theta energy: 25.652 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: 1, replica: 2 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2206.903946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.903946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.903946 (E_RNA) where: Base-Base interactions energy: -1539.794 where: short stacking energy: -679.654 Base-Backbone interact. energy: -3.056 local terms energy: -664.053815 where: bonds (distance) C4'-P energy: -115.698 bonds (distance) P-C4' energy: -127.881 flat angles C4'-P-C4' energy: -138.431 flat angles P-C4'-P energy: -96.754 tors. eta vs tors. theta energy: -185.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2097.880125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.880125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.880125 (E_RNA) where: Base-Base interactions energy: -1432.668 where: short stacking energy: -622.038 Base-Backbone interact. energy: -1.423 local terms energy: -663.789811 where: bonds (distance) C4'-P energy: -124.616 bonds (distance) P-C4' energy: -132.297 flat angles C4'-P-C4' energy: -148.312 flat angles P-C4'-P energy: -82.369 tors. eta vs tors. theta energy: -176.196 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: 5 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2035.801303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.801303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.801303 (E_RNA) where: Base-Base interactions energy: -1409.633 where: short stacking energy: -611.941 Base-Backbone interact. energy: -5.348 local terms energy: -620.819972 where: bonds (distance) C4'-P energy: -112.250 bonds (distance) P-C4' energy: -120.585 flat angles C4'-P-C4' energy: -134.023 flat angles P-C4'-P energy: -87.169 tors. eta vs tors. theta energy: -166.792 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: 4, replica: 8 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1913.717576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.717576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.717576 (E_RNA) where: Base-Base interactions energy: -1320.173 where: short stacking energy: -571.755 Base-Backbone interact. energy: 0.763 local terms energy: -594.308147 where: bonds (distance) C4'-P energy: -109.562 bonds (distance) P-C4' energy: -98.471 flat angles C4'-P-C4' energy: -127.511 flat angles P-C4'-P energy: -86.260 tors. eta vs tors. theta energy: -172.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1837.108343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.108343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.108343 (E_RNA) where: Base-Base interactions energy: -1265.828 where: short stacking energy: -559.240 Base-Backbone interact. energy: -0.119 local terms energy: -571.161195 where: bonds (distance) C4'-P energy: -95.972 bonds (distance) P-C4' energy: -105.379 flat angles C4'-P-C4' energy: -125.128 flat angles P-C4'-P energy: -85.407 tors. eta vs tors. theta energy: -159.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1656.698821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.698821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.698821 (E_RNA) where: Base-Base interactions energy: -1110.277 where: short stacking energy: -473.946 Base-Backbone interact. energy: -0.120 local terms energy: -546.301304 where: bonds (distance) C4'-P energy: -113.755 bonds (distance) P-C4' energy: -122.387 flat angles C4'-P-C4' energy: -118.606 flat angles P-C4'-P energy: -67.091 tors. eta vs tors. theta energy: -124.463 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: 6 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1561.455547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.455547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.455547 (E_RNA) where: Base-Base interactions energy: -1041.333 where: short stacking energy: -466.392 Base-Backbone interact. energy: 0.436 local terms energy: -520.558110 where: bonds (distance) C4'-P energy: -98.990 bonds (distance) P-C4' energy: -107.025 flat angles C4'-P-C4' energy: -109.652 flat angles P-C4'-P energy: -85.142 tors. eta vs tors. theta energy: -119.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1103.983843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.983843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.983843 (E_RNA) where: Base-Base interactions energy: -686.225 where: short stacking energy: -322.514 Base-Backbone interact. energy: -2.326 local terms energy: -415.432443 where: bonds (distance) C4'-P energy: -96.715 bonds (distance) P-C4' energy: -97.678 flat angles C4'-P-C4' energy: -106.571 flat angles P-C4'-P energy: -57.956 tors. eta vs tors. theta energy: -56.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -917.775267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.775267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.775267 (E_RNA) where: Base-Base interactions energy: -553.596 where: short stacking energy: -278.035 Base-Backbone interact. energy: 0.086 local terms energy: -364.265429 where: bonds (distance) C4'-P energy: -99.370 bonds (distance) P-C4' energy: -96.881 flat angles C4'-P-C4' energy: -89.133 flat angles P-C4'-P energy: -55.065 tors. eta vs tors. theta energy: -23.816 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: 10, replica: 4 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -495.170223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.170223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.170223 (E_RNA) where: Base-Base interactions energy: -204.676 where: short stacking energy: -172.685 Base-Backbone interact. energy: 0.245 local terms energy: -290.739598 where: bonds (distance) C4'-P energy: -86.054 bonds (distance) P-C4' energy: -105.371 flat angles C4'-P-C4' energy: -57.289 flat angles P-C4'-P energy: -51.544 tors. eta vs tors. theta energy: 9.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2205.550752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.550752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.550752 (E_RNA) where: Base-Base interactions energy: -1536.958 where: short stacking energy: -659.582 Base-Backbone interact. energy: -0.076 local terms energy: -668.516269 where: bonds (distance) C4'-P energy: -115.351 bonds (distance) P-C4' energy: -135.532 flat angles C4'-P-C4' energy: -141.576 flat angles P-C4'-P energy: -96.109 tors. eta vs tors. theta energy: -179.949 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: 5 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2076.580026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.580026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.580026 (E_RNA) where: Base-Base interactions energy: -1449.450 where: short stacking energy: -602.406 Base-Backbone interact. energy: 0.121 local terms energy: -627.251454 where: bonds (distance) C4'-P energy: -99.192 bonds (distance) P-C4' energy: -128.555 flat angles C4'-P-C4' energy: -134.650 flat angles P-C4'-P energy: -101.268 tors. eta vs tors. theta energy: -163.587 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: 3, replica: 3 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2001.083539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.083539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.083539 (E_RNA) where: Base-Base interactions energy: -1406.142 where: short stacking energy: -596.620 Base-Backbone interact. energy: 2.786 local terms energy: -597.728112 where: bonds (distance) C4'-P energy: -111.491 bonds (distance) P-C4' energy: -121.293 flat angles C4'-P-C4' energy: -114.326 flat angles P-C4'-P energy: -84.077 tors. eta vs tors. theta energy: -166.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1863.961514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.961514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.961514 (E_RNA) where: Base-Base interactions energy: -1278.423 where: short stacking energy: -555.960 Base-Backbone interact. energy: -0.197 local terms energy: -585.341189 where: bonds (distance) C4'-P energy: -112.970 bonds (distance) P-C4' energy: -114.134 flat angles C4'-P-C4' energy: -123.049 flat angles P-C4'-P energy: -77.130 tors. eta vs tors. theta energy: -158.058 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: 5, replica: 7 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1893.342753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.342753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.342753 (E_RNA) where: Base-Base interactions energy: -1324.177 where: short stacking energy: -553.090 Base-Backbone interact. energy: 1.228 local terms energy: -570.393924 where: bonds (distance) C4'-P energy: -107.172 bonds (distance) P-C4' energy: -103.059 flat angles C4'-P-C4' energy: -130.300 flat angles P-C4'-P energy: -69.464 tors. eta vs tors. theta energy: -160.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1673.670667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.670667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.670667 (E_RNA) where: Base-Base interactions energy: -1126.783 where: short stacking energy: -507.148 Base-Backbone interact. energy: 0.849 local terms energy: -547.735950 where: bonds (distance) C4'-P energy: -98.060 bonds (distance) P-C4' energy: -106.863 flat angles C4'-P-C4' energy: -123.689 flat angles P-C4'-P energy: -76.239 tors. eta vs tors. theta energy: -142.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1568.095968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.095968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.095968 (E_RNA) where: Base-Base interactions energy: -1099.473 where: short stacking energy: -489.667 Base-Backbone interact. energy: 3.712 local terms energy: -472.335149 where: bonds (distance) C4'-P energy: -86.199 bonds (distance) P-C4' energy: -93.828 flat angles C4'-P-C4' energy: -105.653 flat angles P-C4'-P energy: -70.965 tors. eta vs tors. theta energy: -115.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1089.800578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.800578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.800578 (E_RNA) where: Base-Base interactions energy: -673.499 where: short stacking energy: -333.077 Base-Backbone interact. energy: 1.092 local terms energy: -417.392785 where: bonds (distance) C4'-P energy: -87.904 bonds (distance) P-C4' energy: -109.608 flat angles C4'-P-C4' energy: -93.177 flat angles P-C4'-P energy: -63.097 tors. eta vs tors. theta energy: -63.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -916.580209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.580209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.580209 (E_RNA) where: Base-Base interactions energy: -533.187 where: short stacking energy: -272.531 Base-Backbone interact. energy: -3.497 local terms energy: -379.895821 where: bonds (distance) C4'-P energy: -92.858 bonds (distance) P-C4' energy: -96.621 flat angles C4'-P-C4' energy: -108.134 flat angles P-C4'-P energy: -49.639 tors. eta vs tors. theta energy: -32.644 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: 10, replica: 4 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -493.637328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.637328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.637328 (E_RNA) where: Base-Base interactions energy: -173.036 where: short stacking energy: -151.868 Base-Backbone interact. energy: -0.062 local terms energy: -320.538889 where: bonds (distance) C4'-P energy: -99.951 bonds (distance) P-C4' energy: -102.456 flat angles C4'-P-C4' energy: -91.618 flat angles P-C4'-P energy: -41.928 tors. eta vs tors. theta energy: 15.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2189.202601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.202601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.202601 (E_RNA) where: Base-Base interactions energy: -1544.181 where: short stacking energy: -658.826 Base-Backbone interact. energy: -2.577 local terms energy: -642.445117 where: bonds (distance) C4'-P energy: -128.223 bonds (distance) P-C4' energy: -106.985 flat angles C4'-P-C4' energy: -140.399 flat angles P-C4'-P energy: -92.148 tors. eta vs tors. theta energy: -174.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2080.500599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.500599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.500599 (E_RNA) where: Base-Base interactions energy: -1469.511 where: short stacking energy: -607.738 Base-Backbone interact. energy: -2.784 local terms energy: -608.205313 where: bonds (distance) C4'-P energy: -117.995 bonds (distance) P-C4' energy: -118.253 flat angles C4'-P-C4' energy: -138.666 flat angles P-C4'-P energy: -74.716 tors. eta vs tors. theta energy: -158.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2012.241212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.241212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.241212 (E_RNA) where: Base-Base interactions energy: -1370.415 where: short stacking energy: -567.859 Base-Backbone interact. energy: -0.800 local terms energy: -641.026072 where: bonds (distance) C4'-P energy: -125.313 bonds (distance) P-C4' energy: -125.506 flat angles C4'-P-C4' energy: -133.745 flat angles P-C4'-P energy: -88.425 tors. eta vs tors. theta energy: -168.036 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: 218 Temperature: 1.050000 Total energy: -1874.101362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.101362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.101362 (E_RNA) where: Base-Base interactions energy: -1286.806 where: short stacking energy: -547.205 Base-Backbone interact. energy: -5.491 local terms energy: -581.804221 where: bonds (distance) C4'-P energy: -96.680 bonds (distance) P-C4' energy: -112.631 flat angles C4'-P-C4' energy: -129.631 flat angles P-C4'-P energy: -84.475 tors. eta vs tors. theta energy: -158.387 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: 5, replica: 7 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1839.324448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.324448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.324448 (E_RNA) where: Base-Base interactions energy: -1259.205 where: short stacking energy: -529.973 Base-Backbone interact. energy: -0.586 local terms energy: -579.533957 where: bonds (distance) C4'-P energy: -114.074 bonds (distance) P-C4' energy: -106.998 flat angles C4'-P-C4' energy: -120.649 flat angles P-C4'-P energy: -81.721 tors. eta vs tors. theta energy: -156.092 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: 10 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1629.637410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.637410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.637410 (E_RNA) where: Base-Base interactions energy: -1122.896 where: short stacking energy: -500.506 Base-Backbone interact. energy: -3.409 local terms energy: -503.332095 where: bonds (distance) C4'-P energy: -95.917 bonds (distance) P-C4' energy: -105.485 flat angles C4'-P-C4' energy: -93.547 flat angles P-C4'-P energy: -68.394 tors. eta vs tors. theta energy: -139.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1564.987068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.987068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.987068 (E_RNA) where: Base-Base interactions energy: -1039.930 where: short stacking energy: -467.987 Base-Backbone interact. energy: -1.485 local terms energy: -523.572009 where: bonds (distance) C4'-P energy: -97.256 bonds (distance) P-C4' energy: -112.698 flat angles C4'-P-C4' energy: -127.619 flat angles P-C4'-P energy: -68.625 tors. eta vs tors. theta energy: -117.375 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: 8, replica: 9 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1103.393462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.393462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.393462 (E_RNA) where: Base-Base interactions energy: -663.593 where: short stacking energy: -318.343 Base-Backbone interact. energy: 2.008 local terms energy: -441.808194 where: bonds (distance) C4'-P energy: -114.895 bonds (distance) P-C4' energy: -108.028 flat angles C4'-P-C4' energy: -88.919 flat angles P-C4'-P energy: -86.114 tors. eta vs tors. theta energy: -43.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -899.142263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.142263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.142263 (E_RNA) where: Base-Base interactions energy: -505.774 where: short stacking energy: -255.280 Base-Backbone interact. energy: -1.013 local terms energy: -392.354939 where: bonds (distance) C4'-P energy: -99.560 bonds (distance) P-C4' energy: -107.351 flat angles C4'-P-C4' energy: -96.356 flat angles P-C4'-P energy: -60.842 tors. eta vs tors. theta energy: -28.246 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: 4 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -546.807410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.807410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.807410 (E_RNA) where: Base-Base interactions energy: -202.993 where: short stacking energy: -181.215 Base-Backbone interact. energy: -2.295 local terms energy: -341.519884 where: bonds (distance) C4'-P energy: -81.466 bonds (distance) P-C4' energy: -116.514 flat angles C4'-P-C4' energy: -73.620 flat angles P-C4'-P energy: -74.867 tors. eta vs tors. theta energy: 4.948 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: 2 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2211.830946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.830946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.830946 (E_RNA) where: Base-Base interactions energy: -1538.039 where: short stacking energy: -653.524 Base-Backbone interact. energy: -4.649 local terms energy: -669.143315 where: bonds (distance) C4'-P energy: -115.883 bonds (distance) P-C4' energy: -131.325 flat angles C4'-P-C4' energy: -137.210 flat angles P-C4'-P energy: -100.092 tors. eta vs tors. theta energy: -184.633 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: 5 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2078.842333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.842333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.842333 (E_RNA) where: Base-Base interactions energy: -1448.369 where: short stacking energy: -594.161 Base-Backbone interact. energy: -3.456 local terms energy: -627.017998 where: bonds (distance) C4'-P energy: -120.600 bonds (distance) P-C4' energy: -131.506 flat angles C4'-P-C4' energy: -123.935 flat angles P-C4'-P energy: -90.235 tors. eta vs tors. theta energy: -160.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1996.967188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.967188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.967188 (E_RNA) where: Base-Base interactions energy: -1373.369 where: short stacking energy: -595.412 Base-Backbone interact. energy: -4.271 local terms energy: -619.326737 where: bonds (distance) C4'-P energy: -109.287 bonds (distance) P-C4' energy: -109.103 flat angles C4'-P-C4' energy: -133.446 flat angles P-C4'-P energy: -89.962 tors. eta vs tors. theta energy: -177.530 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: 219 Temperature: 1.050000 Total energy: -1836.112442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.112442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.112442 (E_RNA) where: Base-Base interactions energy: -1258.034 where: short stacking energy: -554.000 Base-Backbone interact. energy: -1.258 local terms energy: -576.820899 where: bonds (distance) C4'-P energy: -105.555 bonds (distance) P-C4' energy: -114.746 flat angles C4'-P-C4' energy: -118.736 flat angles P-C4'-P energy: -84.179 tors. eta vs tors. theta energy: -153.606 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: 7 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1857.867144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.867144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.867144 (E_RNA) where: Base-Base interactions energy: -1270.538 where: short stacking energy: -548.801 Base-Backbone interact. energy: -0.733 local terms energy: -586.595537 where: bonds (distance) C4'-P energy: -107.574 bonds (distance) P-C4' energy: -85.882 flat angles C4'-P-C4' energy: -141.516 flat angles P-C4'-P energy: -93.411 tors. eta vs tors. theta energy: -158.213 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: 6, replica: 10 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1722.299241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.299241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.299241 (E_RNA) where: Base-Base interactions energy: -1179.114 where: short stacking energy: -516.530 Base-Backbone interact. energy: -2.007 local terms energy: -541.177866 where: bonds (distance) C4'-P energy: -102.438 bonds (distance) P-C4' energy: -111.797 flat angles C4'-P-C4' energy: -109.433 flat angles P-C4'-P energy: -80.581 tors. eta vs tors. theta energy: -136.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1563.164782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.164782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.164782 (E_RNA) where: Base-Base interactions energy: -1038.600 where: short stacking energy: -464.922 Base-Backbone interact. energy: 0.771 local terms energy: -525.335840 where: bonds (distance) C4'-P energy: -101.903 bonds (distance) P-C4' energy: -108.795 flat angles C4'-P-C4' energy: -108.893 flat angles P-C4'-P energy: -82.781 tors. eta vs tors. theta energy: -122.963 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: 9 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1137.617931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.617931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.617931 (E_RNA) where: Base-Base interactions energy: -741.634 where: short stacking energy: -372.294 Base-Backbone interact. energy: 1.519 local terms energy: -397.502336 where: bonds (distance) C4'-P energy: -90.050 bonds (distance) P-C4' energy: -92.221 flat angles C4'-P-C4' energy: -108.641 flat angles P-C4'-P energy: -53.858 tors. eta vs tors. theta energy: -52.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -952.383205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.383205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.383205 (E_RNA) where: Base-Base interactions energy: -543.602 where: short stacking energy: -289.286 Base-Backbone interact. energy: 0.572 local terms energy: -409.352340 where: bonds (distance) C4'-P energy: -99.143 bonds (distance) P-C4' energy: -101.666 flat angles C4'-P-C4' energy: -103.388 flat angles P-C4'-P energy: -58.352 tors. eta vs tors. theta energy: -46.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -524.908139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.908139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.908139 (E_RNA) where: Base-Base interactions energy: -221.226 where: short stacking energy: -182.846 Base-Backbone interact. energy: -0.106 local terms energy: -303.576485 where: bonds (distance) C4'-P energy: -82.770 bonds (distance) P-C4' energy: -108.084 flat angles C4'-P-C4' energy: -79.962 flat angles P-C4'-P energy: -34.445 tors. eta vs tors. theta energy: 1.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2139.486267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.486267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.486267 (E_RNA) where: Base-Base interactions energy: -1474.995 where: short stacking energy: -617.230 Base-Backbone interact. energy: -3.712 local terms energy: -660.779489 where: bonds (distance) C4'-P energy: -123.017 bonds (distance) P-C4' energy: -129.834 flat angles C4'-P-C4' energy: -151.302 flat angles P-C4'-P energy: -78.841 tors. eta vs tors. theta energy: -177.786 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: 2, replica: 2 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2168.649559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.649559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.649559 (E_RNA) where: Base-Base interactions energy: -1513.602 where: short stacking energy: -646.009 Base-Backbone interact. energy: -0.843 local terms energy: -654.205112 where: bonds (distance) C4'-P energy: -115.831 bonds (distance) P-C4' energy: -118.898 flat angles C4'-P-C4' energy: -145.226 flat angles P-C4'-P energy: -95.577 tors. eta vs tors. theta energy: -178.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1999.017142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.017142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.017142 (E_RNA) where: Base-Base interactions energy: -1367.844 where: short stacking energy: -599.792 Base-Backbone interact. energy: -3.330 local terms energy: -627.843442 where: bonds (distance) C4'-P energy: -110.892 bonds (distance) P-C4' energy: -124.379 flat angles C4'-P-C4' energy: -132.564 flat angles P-C4'-P energy: -82.801 tors. eta vs tors. theta energy: -177.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1907.229985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.229985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.229985 (E_RNA) where: Base-Base interactions energy: -1279.780 where: short stacking energy: -543.819 Base-Backbone interact. energy: -3.543 local terms energy: -623.907889 where: bonds (distance) C4'-P energy: -115.440 bonds (distance) P-C4' energy: -128.078 flat angles C4'-P-C4' energy: -123.003 flat angles P-C4'-P energy: -90.378 tors. eta vs tors. theta energy: -167.009 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: 7 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1837.330850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.330850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.330850 (E_RNA) where: Base-Base interactions energy: -1271.311 where: short stacking energy: -546.481 Base-Backbone interact. energy: -1.053 local terms energy: -564.967089 where: bonds (distance) C4'-P energy: -95.134 bonds (distance) P-C4' energy: -120.701 flat angles C4'-P-C4' energy: -115.153 flat angles P-C4'-P energy: -95.304 tors. eta vs tors. theta energy: -138.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1741.493648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.493648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.493648 (E_RNA) where: Base-Base interactions energy: -1170.776 where: short stacking energy: -507.058 Base-Backbone interact. energy: -0.054 local terms energy: -570.663301 where: bonds (distance) C4'-P energy: -112.544 bonds (distance) P-C4' energy: -139.027 flat angles C4'-P-C4' energy: -122.620 flat angles P-C4'-P energy: -63.976 tors. eta vs tors. theta energy: -132.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1593.475181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.475181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.475181 (E_RNA) where: Base-Base interactions energy: -1135.463 where: short stacking energy: -509.337 Base-Backbone interact. energy: -1.565 local terms energy: -456.448145 where: bonds (distance) C4'-P energy: -68.859 bonds (distance) P-C4' energy: -81.436 flat angles C4'-P-C4' energy: -114.515 flat angles P-C4'-P energy: -65.509 tors. eta vs tors. theta energy: -126.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1077.655028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.655028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.655028 (E_RNA) where: Base-Base interactions energy: -684.274 where: short stacking energy: -304.417 Base-Backbone interact. energy: 1.676 local terms energy: -395.057223 where: bonds (distance) C4'-P energy: -90.739 bonds (distance) P-C4' energy: -91.853 flat angles C4'-P-C4' energy: -95.184 flat angles P-C4'-P energy: -66.081 tors. eta vs tors. theta energy: -51.200 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: 1 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -951.867942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.867942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.867942 (E_RNA) where: Base-Base interactions energy: -576.665 where: short stacking energy: -266.702 Base-Backbone interact. energy: -0.076 local terms energy: -375.126887 where: bonds (distance) C4'-P energy: -86.937 bonds (distance) P-C4' energy: -96.533 flat angles C4'-P-C4' energy: -103.391 flat angles P-C4'-P energy: -61.963 tors. eta vs tors. theta energy: -26.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -498.336848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.336848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.336848 (E_RNA) where: Base-Base interactions energy: -204.321 where: short stacking energy: -123.582 Base-Backbone interact. energy: 6.503 local terms energy: -300.518253 where: bonds (distance) C4'-P energy: -99.950 bonds (distance) P-C4' energy: -102.094 flat angles C4'-P-C4' energy: -84.363 flat angles P-C4'-P energy: -35.938 tors. eta vs tors. theta energy: 21.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2124.700700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.700700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.700700 (E_RNA) where: Base-Base interactions energy: -1487.489 where: short stacking energy: -621.696 Base-Backbone interact. energy: -2.220 local terms energy: -634.991676 where: bonds (distance) C4'-P energy: -120.318 bonds (distance) P-C4' energy: -114.893 flat angles C4'-P-C4' energy: -135.662 flat angles P-C4'-P energy: -88.508 tors. eta vs tors. theta energy: -175.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2143.752704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.752704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.752704 (E_RNA) where: Base-Base interactions energy: -1513.826 where: short stacking energy: -624.803 Base-Backbone interact. energy: -1.984 local terms energy: -627.942959 where: bonds (distance) C4'-P energy: -118.021 bonds (distance) P-C4' energy: -115.418 flat angles C4'-P-C4' energy: -142.508 flat angles P-C4'-P energy: -87.119 tors. eta vs tors. theta energy: -164.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2021.054265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.054265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.054265 (E_RNA) where: Base-Base interactions energy: -1422.792 where: short stacking energy: -615.302 Base-Backbone interact. energy: -0.710 local terms energy: -597.551763 where: bonds (distance) C4'-P energy: -103.368 bonds (distance) P-C4' energy: -105.668 flat angles C4'-P-C4' energy: -130.482 flat angles P-C4'-P energy: -82.533 tors. eta vs tors. theta energy: -175.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1921.090249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.090249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.090249 (E_RNA) where: Base-Base interactions energy: -1315.236 where: short stacking energy: -564.359 Base-Backbone interact. energy: 0.789 local terms energy: -606.643350 where: bonds (distance) C4'-P energy: -112.637 bonds (distance) P-C4' energy: -110.764 flat angles C4'-P-C4' energy: -125.304 flat angles P-C4'-P energy: -92.252 tors. eta vs tors. theta energy: -165.687 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: 5, replica: 8 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1852.298511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.298511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.298511 (E_RNA) where: Base-Base interactions energy: -1274.741 where: short stacking energy: -541.652 Base-Backbone interact. energy: 0.874 local terms energy: -578.431993 where: bonds (distance) C4'-P energy: -115.642 bonds (distance) P-C4' energy: -113.771 flat angles C4'-P-C4' energy: -110.220 flat angles P-C4'-P energy: -79.917 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: 6, replica: 6 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1633.315872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.315872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.315872 (E_RNA) where: Base-Base interactions energy: -1106.147 where: short stacking energy: -489.151 Base-Backbone interact. energy: -1.285 local terms energy: -525.884204 where: bonds (distance) C4'-P energy: -109.121 bonds (distance) P-C4' energy: -94.199 flat angles C4'-P-C4' energy: -119.632 flat angles P-C4'-P energy: -73.824 tors. eta vs tors. theta energy: -129.108 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: 221 Temperature: 1.200000 Total energy: -1658.258326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.258326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.258326 (E_RNA) where: Base-Base interactions energy: -1112.263 where: short stacking energy: -462.208 Base-Backbone interact. energy: 2.813 local terms energy: -548.808410 where: bonds (distance) C4'-P energy: -108.556 bonds (distance) P-C4' energy: -110.066 flat angles C4'-P-C4' energy: -106.157 flat angles P-C4'-P energy: -81.647 tors. eta vs tors. theta energy: -142.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1044.506278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.506278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.506278 (E_RNA) where: Base-Base interactions energy: -629.136 where: short stacking energy: -333.515 Base-Backbone interact. energy: 2.957 local terms energy: -418.327368 where: bonds (distance) C4'-P energy: -97.664 bonds (distance) P-C4' energy: -112.420 flat angles C4'-P-C4' energy: -108.252 flat angles P-C4'-P energy: -56.216 tors. eta vs tors. theta energy: -43.775 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: 221 Temperature: 1.300000 Total energy: -957.088458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.088458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.088458 (E_RNA) where: Base-Base interactions energy: -559.106 where: short stacking energy: -268.301 Base-Backbone interact. energy: -2.558 local terms energy: -395.424555 where: bonds (distance) C4'-P energy: -92.331 bonds (distance) P-C4' energy: -107.185 flat angles C4'-P-C4' energy: -96.916 flat angles P-C4'-P energy: -65.442 tors. eta vs tors. theta energy: -33.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -501.216136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.216136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.216136 (E_RNA) where: Base-Base interactions energy: -183.920 where: short stacking energy: -162.463 Base-Backbone interact. energy: 6.033 local terms energy: -323.328904 where: bonds (distance) C4'-P energy: -102.446 bonds (distance) P-C4' energy: -102.470 flat angles C4'-P-C4' energy: -80.713 flat angles P-C4'-P energy: -51.267 tors. eta vs tors. theta energy: 13.566 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: 1, replica: 5 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2150.582560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.582560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.582560 (E_RNA) where: Base-Base interactions energy: -1502.540 where: short stacking energy: -633.253 Base-Backbone interact. energy: -5.114 local terms energy: -642.928653 where: bonds (distance) C4'-P energy: -132.544 bonds (distance) P-C4' energy: -122.095 flat angles C4'-P-C4' energy: -139.316 flat angles P-C4'-P energy: -86.109 tors. eta vs tors. theta energy: -162.864 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: 2 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2106.880008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.880008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.880008 (E_RNA) where: Base-Base interactions energy: -1462.372 where: short stacking energy: -600.826 Base-Backbone interact. energy: -5.237 local terms energy: -639.271146 where: bonds (distance) C4'-P energy: -111.549 bonds (distance) P-C4' energy: -124.796 flat angles C4'-P-C4' energy: -150.143 flat angles P-C4'-P energy: -91.222 tors. eta vs tors. theta energy: -161.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1997.337104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.337104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.337104 (E_RNA) where: Base-Base interactions energy: -1358.375 where: short stacking energy: -576.874 Base-Backbone interact. energy: -5.878 local terms energy: -633.084060 where: bonds (distance) C4'-P energy: -109.648 bonds (distance) P-C4' energy: -121.330 flat angles C4'-P-C4' energy: -134.062 flat angles P-C4'-P energy: -100.080 tors. eta vs tors. theta energy: -167.964 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: 4, replica: 3 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1938.532213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.532213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.532213 (E_RNA) where: Base-Base interactions energy: -1356.865 where: short stacking energy: -578.024 Base-Backbone interact. energy: 0.108 local terms energy: -581.774790 where: bonds (distance) C4'-P energy: -102.103 bonds (distance) P-C4' energy: -113.501 flat angles C4'-P-C4' energy: -128.770 flat angles P-C4'-P energy: -78.077 tors. eta vs tors. theta energy: -159.324 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: 8 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1848.028296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.028296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.028296 (E_RNA) where: Base-Base interactions energy: -1271.114 where: short stacking energy: -540.323 Base-Backbone interact. energy: -3.065 local terms energy: -573.849999 where: bonds (distance) C4'-P energy: -93.302 bonds (distance) P-C4' energy: -101.232 flat angles C4'-P-C4' energy: -134.380 flat angles P-C4'-P energy: -81.270 tors. eta vs tors. theta energy: -163.666 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: 6, replica: 6 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1593.658221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.658221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.658221 (E_RNA) where: Base-Base interactions energy: -1054.505 where: short stacking energy: -483.277 Base-Backbone interact. energy: -1.750 local terms energy: -537.402956 where: bonds (distance) C4'-P energy: -102.637 bonds (distance) P-C4' energy: -109.470 flat angles C4'-P-C4' energy: -116.318 flat angles P-C4'-P energy: -77.908 tors. eta vs tors. theta energy: -131.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1696.892318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.892318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.892318 (E_RNA) where: Base-Base interactions energy: -1129.905 where: short stacking energy: -502.200 Base-Backbone interact. energy: -1.078 local terms energy: -565.909638 where: bonds (distance) C4'-P energy: -101.081 bonds (distance) P-C4' energy: -117.143 flat angles C4'-P-C4' energy: -120.576 flat angles P-C4'-P energy: -83.532 tors. eta vs tors. theta energy: -143.578 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: 1 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1083.731480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.731480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.731480 (E_RNA) where: Base-Base interactions energy: -670.041 where: short stacking energy: -355.205 Base-Backbone interact. energy: 3.385 local terms energy: -417.076407 where: bonds (distance) C4'-P energy: -94.992 bonds (distance) P-C4' energy: -96.008 flat angles C4'-P-C4' energy: -108.945 flat angles P-C4'-P energy: -59.560 tors. eta vs tors. theta energy: -57.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -954.825783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.825783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.825783 (E_RNA) where: Base-Base interactions energy: -571.481 where: short stacking energy: -276.188 Base-Backbone interact. energy: -4.284 local terms energy: -379.061060 where: bonds (distance) C4'-P energy: -106.676 bonds (distance) P-C4' energy: -112.266 flat angles C4'-P-C4' energy: -96.176 flat angles P-C4'-P energy: -36.689 tors. eta vs tors. theta energy: -27.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -480.689607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.689607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.689607 (E_RNA) where: Base-Base interactions energy: -158.117 where: short stacking energy: -124.439 Base-Backbone interact. energy: 5.964 local terms energy: -328.536510 where: bonds (distance) C4'-P energy: -89.271 bonds (distance) P-C4' energy: -109.113 flat angles C4'-P-C4' energy: -99.835 flat angles P-C4'-P energy: -52.419 tors. eta vs tors. theta energy: 22.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2134.006400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.006400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.006400 (E_RNA) where: Base-Base interactions energy: -1516.296 where: short stacking energy: -630.838 Base-Backbone interact. energy: -1.948 local terms energy: -615.761666 where: bonds (distance) C4'-P energy: -108.986 bonds (distance) P-C4' energy: -127.552 flat angles C4'-P-C4' energy: -122.139 flat angles P-C4'-P energy: -90.949 tors. eta vs tors. theta energy: -166.136 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: 2 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2142.478069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.478069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.478069 (E_RNA) where: Base-Base interactions energy: -1512.575 where: short stacking energy: -639.099 Base-Backbone interact. energy: -2.973 local terms energy: -626.930019 where: bonds (distance) C4'-P energy: -94.404 bonds (distance) P-C4' energy: -113.491 flat angles C4'-P-C4' energy: -142.553 flat angles P-C4'-P energy: -88.098 tors. eta vs tors. theta energy: -188.384 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: 7 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1980.702922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.702922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.702922 (E_RNA) where: Base-Base interactions energy: -1364.977 where: short stacking energy: -596.432 Base-Backbone interact. energy: -0.271 local terms energy: -615.454893 where: bonds (distance) C4'-P energy: -127.985 bonds (distance) P-C4' energy: -117.461 flat angles C4'-P-C4' energy: -125.070 flat angles P-C4'-P energy: -85.488 tors. eta vs tors. theta energy: -159.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1926.976634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.976634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.976634 (E_RNA) where: Base-Base interactions energy: -1317.584 where: short stacking energy: -558.943 Base-Backbone interact. energy: -1.478 local terms energy: -607.914376 where: bonds (distance) C4'-P energy: -120.149 bonds (distance) P-C4' energy: -119.525 flat angles C4'-P-C4' energy: -127.917 flat angles P-C4'-P energy: -88.531 tors. eta vs tors. theta energy: -151.792 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: 8 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1861.230365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.230365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.230365 (E_RNA) where: Base-Base interactions energy: -1287.109 where: short stacking energy: -559.257 Base-Backbone interact. energy: -2.837 local terms energy: -571.284340 where: bonds (distance) C4'-P energy: -102.927 bonds (distance) P-C4' energy: -94.863 flat angles C4'-P-C4' energy: -122.077 flat angles P-C4'-P energy: -88.320 tors. eta vs tors. theta energy: -163.096 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: 10 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1691.820208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.820208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.820208 (E_RNA) where: Base-Base interactions energy: -1120.537 where: short stacking energy: -470.791 Base-Backbone interact. energy: -0.168 local terms energy: -571.115783 where: bonds (distance) C4'-P energy: -112.674 bonds (distance) P-C4' energy: -108.559 flat angles C4'-P-C4' energy: -141.974 flat angles P-C4'-P energy: -86.560 tors. eta vs tors. theta energy: -121.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1495.364752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.364752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.364752 (E_RNA) where: Base-Base interactions energy: -986.769 where: short stacking energy: -436.438 Base-Backbone interact. energy: 0.973 local terms energy: -509.569076 where: bonds (distance) C4'-P energy: -109.097 bonds (distance) P-C4' energy: -121.848 flat angles C4'-P-C4' energy: -109.798 flat angles P-C4'-P energy: -63.458 tors. eta vs tors. theta energy: -105.368 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: 1 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1126.258064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.258064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.258064 (E_RNA) where: Base-Base interactions energy: -668.641 where: short stacking energy: -309.832 Base-Backbone interact. energy: 1.757 local terms energy: -459.373695 where: bonds (distance) C4'-P energy: -92.866 bonds (distance) P-C4' energy: -103.105 flat angles C4'-P-C4' energy: -116.676 flat angles P-C4'-P energy: -76.994 tors. eta vs tors. theta energy: -69.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1017.121292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.121292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.121292 (E_RNA) where: Base-Base interactions energy: -581.931 where: short stacking energy: -283.756 Base-Backbone interact. energy: 0.299 local terms energy: -435.489758 where: bonds (distance) C4'-P energy: -86.439 bonds (distance) P-C4' energy: -116.605 flat angles C4'-P-C4' energy: -112.601 flat angles P-C4'-P energy: -63.831 tors. eta vs tors. theta energy: -56.014 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: 4 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -560.641176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.641176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.641176 (E_RNA) where: Base-Base interactions energy: -261.422 where: short stacking energy: -161.035 Base-Backbone interact. energy: 1.247 local terms energy: -300.466148 where: bonds (distance) C4'-P energy: -99.734 bonds (distance) P-C4' energy: -88.513 flat angles C4'-P-C4' energy: -91.466 flat angles P-C4'-P energy: -29.472 tors. eta vs tors. theta energy: 8.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2193.177571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.177571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.177571 (E_RNA) where: Base-Base interactions energy: -1524.338 where: short stacking energy: -653.991 Base-Backbone interact. energy: -3.531 local terms energy: -665.308195 where: bonds (distance) C4'-P energy: -116.173 bonds (distance) P-C4' energy: -132.769 flat angles C4'-P-C4' energy: -135.516 flat angles P-C4'-P energy: -92.557 tors. eta vs tors. theta energy: -188.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2087.358048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.358048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.358048 (E_RNA) where: Base-Base interactions energy: -1461.621 where: short stacking energy: -624.630 Base-Backbone interact. energy: -3.499 local terms energy: -622.237992 where: bonds (distance) C4'-P energy: -111.947 bonds (distance) P-C4' energy: -122.745 flat angles C4'-P-C4' energy: -134.474 flat angles P-C4'-P energy: -84.584 tors. eta vs tors. theta energy: -168.487 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: 7 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2021.287973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.287973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.287973 (E_RNA) where: Base-Base interactions energy: -1379.491 where: short stacking energy: -591.811 Base-Backbone interact. energy: -4.344 local terms energy: -637.453744 where: bonds (distance) C4'-P energy: -112.165 bonds (distance) P-C4' energy: -125.981 flat angles C4'-P-C4' energy: -138.201 flat angles P-C4'-P energy: -93.846 tors. eta vs tors. theta energy: -167.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1942.959352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.959352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.959352 (E_RNA) where: Base-Base interactions energy: -1353.977 where: short stacking energy: -601.410 Base-Backbone interact. energy: -0.040 local terms energy: -588.942029 where: bonds (distance) C4'-P energy: -101.183 bonds (distance) P-C4' energy: -110.370 flat angles C4'-P-C4' energy: -133.448 flat angles P-C4'-P energy: -80.259 tors. eta vs tors. theta energy: -163.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1870.522317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.522317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.522317 (E_RNA) where: Base-Base interactions energy: -1280.297 where: short stacking energy: -564.263 Base-Backbone interact. energy: -2.281 local terms energy: -587.943701 where: bonds (distance) C4'-P energy: -97.337 bonds (distance) P-C4' energy: -110.896 flat angles C4'-P-C4' energy: -117.247 flat angles P-C4'-P energy: -89.120 tors. eta vs tors. theta energy: -173.344 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: 6, replica: 10 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1682.938224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.938224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.938224 (E_RNA) where: Base-Base interactions energy: -1143.550 where: short stacking energy: -496.760 Base-Backbone interact. energy: -0.808 local terms energy: -538.580587 where: bonds (distance) C4'-P energy: -89.435 bonds (distance) P-C4' energy: -114.986 flat angles C4'-P-C4' energy: -128.455 flat angles P-C4'-P energy: -70.103 tors. eta vs tors. theta energy: -135.602 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: 6 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1565.218596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.218596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.218596 (E_RNA) where: Base-Base interactions energy: -1054.276 where: short stacking energy: -478.012 Base-Backbone interact. energy: -0.876 local terms energy: -510.065877 where: bonds (distance) C4'-P energy: -99.554 bonds (distance) P-C4' energy: -112.392 flat angles C4'-P-C4' energy: -105.773 flat angles P-C4'-P energy: -68.616 tors. eta vs tors. theta energy: -123.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1122.138602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.138602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.138602 (E_RNA) where: Base-Base interactions energy: -729.462 where: short stacking energy: -334.596 Base-Backbone interact. energy: 1.921 local terms energy: -394.597633 where: bonds (distance) C4'-P energy: -96.575 bonds (distance) P-C4' energy: -94.436 flat angles C4'-P-C4' energy: -81.668 flat angles P-C4'-P energy: -74.132 tors. eta vs tors. theta energy: -47.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -987.917781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.917781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.917781 (E_RNA) where: Base-Base interactions energy: -572.387 where: short stacking energy: -309.278 Base-Backbone interact. energy: -2.010 local terms energy: -413.521299 where: bonds (distance) C4'-P energy: -85.610 bonds (distance) P-C4' energy: -104.514 flat angles C4'-P-C4' energy: -96.306 flat angles P-C4'-P energy: -65.017 tors. eta vs tors. theta energy: -62.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -514.448464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.448464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.448464 (E_RNA) where: Base-Base interactions energy: -179.929 where: short stacking energy: -142.664 Base-Backbone interact. energy: 2.384 local terms energy: -336.903479 where: bonds (distance) C4'-P energy: -95.844 bonds (distance) P-C4' energy: -101.120 flat angles C4'-P-C4' energy: -93.722 flat angles P-C4'-P energy: -63.723 tors. eta vs tors. theta energy: 17.505 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: 1, replica: 2 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2183.954435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.954435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.954435 (E_RNA) where: Base-Base interactions energy: -1519.106 where: short stacking energy: -660.258 Base-Backbone interact. energy: -2.934 local terms energy: -661.914945 where: bonds (distance) C4'-P energy: -127.225 bonds (distance) P-C4' energy: -126.492 flat angles C4'-P-C4' energy: -136.196 flat angles P-C4'-P energy: -93.551 tors. eta vs tors. theta energy: -178.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2097.508754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.508754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.508754 (E_RNA) where: Base-Base interactions energy: -1437.090 where: short stacking energy: -622.081 Base-Backbone interact. energy: -6.045 local terms energy: -654.374084 where: bonds (distance) C4'-P energy: -126.347 bonds (distance) P-C4' energy: -129.636 flat angles C4'-P-C4' energy: -134.978 flat angles P-C4'-P energy: -95.780 tors. eta vs tors. theta energy: -167.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2020.193115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.193115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.193115 (E_RNA) where: Base-Base interactions energy: -1390.250 where: short stacking energy: -608.923 Base-Backbone interact. energy: -1.977 local terms energy: -627.965781 where: bonds (distance) C4'-P energy: -109.167 bonds (distance) P-C4' energy: -120.827 flat angles C4'-P-C4' energy: -132.602 flat angles P-C4'-P energy: -93.775 tors. eta vs tors. theta energy: -171.595 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: 3 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1937.672789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.672789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.672789 (E_RNA) where: Base-Base interactions energy: -1369.135 where: short stacking energy: -564.438 Base-Backbone interact. energy: 2.902 local terms energy: -571.439797 where: bonds (distance) C4'-P energy: -101.148 bonds (distance) P-C4' energy: -115.151 flat angles C4'-P-C4' energy: -115.360 flat angles P-C4'-P energy: -77.352 tors. eta vs tors. theta energy: -162.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1843.663898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.663898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.663898 (E_RNA) where: Base-Base interactions energy: -1274.388 where: short stacking energy: -555.615 Base-Backbone interact. energy: -2.574 local terms energy: -566.701813 where: bonds (distance) C4'-P energy: -93.582 bonds (distance) P-C4' energy: -104.227 flat angles C4'-P-C4' energy: -131.225 flat angles P-C4'-P energy: -89.870 tors. eta vs tors. theta energy: -147.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1740.304534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.304534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.304534 (E_RNA) where: Base-Base interactions energy: -1186.198 where: short stacking energy: -508.084 Base-Backbone interact. energy: 0.332 local terms energy: -554.438634 where: bonds (distance) C4'-P energy: -114.345 bonds (distance) P-C4' energy: -105.594 flat angles C4'-P-C4' energy: -121.013 flat angles P-C4'-P energy: -81.162 tors. eta vs tors. theta energy: -132.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1544.961705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.961705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.961705 (E_RNA) where: Base-Base interactions energy: -1026.120 where: short stacking energy: -475.734 Base-Backbone interact. energy: -2.869 local terms energy: -515.972471 where: bonds (distance) C4'-P energy: -88.183 bonds (distance) P-C4' energy: -111.161 flat angles C4'-P-C4' energy: -126.739 flat angles P-C4'-P energy: -69.384 tors. eta vs tors. theta energy: -120.505 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: 8, replica: 1 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1127.605892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.605892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.605892 (E_RNA) where: Base-Base interactions energy: -723.112 where: short stacking energy: -340.983 Base-Backbone interact. energy: -1.462 local terms energy: -403.031843 where: bonds (distance) C4'-P energy: -91.549 bonds (distance) P-C4' energy: -95.205 flat angles C4'-P-C4' energy: -95.513 flat angles P-C4'-P energy: -71.864 tors. eta vs tors. theta energy: -48.901 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: 9 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1011.254548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.254548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.254548 (E_RNA) where: Base-Base interactions energy: -644.669 where: short stacking energy: -340.410 Base-Backbone interact. energy: 8.443 local terms energy: -375.028611 where: bonds (distance) C4'-P energy: -103.758 bonds (distance) P-C4' energy: -90.007 flat angles C4'-P-C4' energy: -84.687 flat angles P-C4'-P energy: -47.128 tors. eta vs tors. theta energy: -49.449 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: 4 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -527.839438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.839438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.839438 (E_RNA) where: Base-Base interactions energy: -216.756 where: short stacking energy: -151.898 Base-Backbone interact. energy: 5.455 local terms energy: -316.538838 where: bonds (distance) C4'-P energy: -94.498 bonds (distance) P-C4' energy: -84.421 flat angles C4'-P-C4' energy: -88.877 flat angles P-C4'-P energy: -59.857 tors. eta vs tors. theta energy: 11.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2196.990162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.990162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.990162 (E_RNA) where: Base-Base interactions energy: -1535.889 where: short stacking energy: -657.308 Base-Backbone interact. energy: -0.527 local terms energy: -660.574250 where: bonds (distance) C4'-P energy: -134.362 bonds (distance) P-C4' energy: -118.167 flat angles C4'-P-C4' energy: -141.926 flat angles P-C4'-P energy: -83.442 tors. eta vs tors. theta energy: -182.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2086.657296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.657296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.657296 (E_RNA) where: Base-Base interactions energy: -1465.532 where: short stacking energy: -601.227 Base-Backbone interact. energy: -4.634 local terms energy: -616.491013 where: bonds (distance) C4'-P energy: -120.193 bonds (distance) P-C4' energy: -119.895 flat angles C4'-P-C4' energy: -136.892 flat angles P-C4'-P energy: -81.836 tors. eta vs tors. theta energy: -157.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2004.069953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.069953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.069953 (E_RNA) where: Base-Base interactions energy: -1371.687 where: short stacking energy: -582.828 Base-Backbone interact. energy: -3.269 local terms energy: -629.114502 where: bonds (distance) C4'-P energy: -121.583 bonds (distance) P-C4' energy: -114.243 flat angles C4'-P-C4' energy: -137.574 flat angles P-C4'-P energy: -89.040 tors. eta vs tors. theta energy: -166.674 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: 3 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1955.252301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.252301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.252301 (E_RNA) where: Base-Base interactions energy: -1352.800 where: short stacking energy: -574.583 Base-Backbone interact. energy: 0.880 local terms energy: -603.331752 where: bonds (distance) C4'-P energy: -116.830 bonds (distance) P-C4' energy: -117.358 flat angles C4'-P-C4' energy: -127.537 flat angles P-C4'-P energy: -80.938 tors. eta vs tors. theta energy: -160.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1831.744523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.744523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.744523 (E_RNA) where: Base-Base interactions energy: -1238.679 where: short stacking energy: -546.322 Base-Backbone interact. energy: -3.369 local terms energy: -589.696378 where: bonds (distance) C4'-P energy: -110.315 bonds (distance) P-C4' energy: -123.343 flat angles C4'-P-C4' energy: -115.923 flat angles P-C4'-P energy: -76.694 tors. eta vs tors. theta energy: -163.422 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: 6, replica: 10 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1739.022179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.022179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.022179 (E_RNA) where: Base-Base interactions energy: -1172.985 where: short stacking energy: -497.377 Base-Backbone interact. energy: -3.285 local terms energy: -562.752560 where: bonds (distance) C4'-P energy: -108.952 bonds (distance) P-C4' energy: -122.325 flat angles C4'-P-C4' energy: -124.500 flat angles P-C4'-P energy: -77.601 tors. eta vs tors. theta energy: -129.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1552.517920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.517920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.517920 (E_RNA) where: Base-Base interactions energy: -1027.903 where: short stacking energy: -481.365 Base-Backbone interact. energy: 1.286 local terms energy: -525.901029 where: bonds (distance) C4'-P energy: -114.234 bonds (distance) P-C4' energy: -123.805 flat angles C4'-P-C4' energy: -112.171 flat angles P-C4'-P energy: -52.810 tors. eta vs tors. theta energy: -122.881 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: 8, replica: 1 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1133.935636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.935636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.935636 (E_RNA) where: Base-Base interactions energy: -730.363 where: short stacking energy: -357.135 Base-Backbone interact. energy: 2.113 local terms energy: -405.685583 where: bonds (distance) C4'-P energy: -84.736 bonds (distance) P-C4' energy: -108.370 flat angles C4'-P-C4' energy: -94.406 flat angles P-C4'-P energy: -60.247 tors. eta vs tors. theta energy: -57.926 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: 226 Temperature: 1.300000 Total energy: -940.542345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.542345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.542345 (E_RNA) where: Base-Base interactions energy: -540.940 where: short stacking energy: -275.185 Base-Backbone interact. energy: 5.773 local terms energy: -405.375755 where: bonds (distance) C4'-P energy: -104.271 bonds (distance) P-C4' energy: -96.514 flat angles C4'-P-C4' energy: -115.294 flat angles P-C4'-P energy: -52.739 tors. eta vs tors. theta energy: -36.557 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: 4 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -665.280904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.280904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.280904 (E_RNA) where: Base-Base interactions energy: -312.238 where: short stacking energy: -207.008 Base-Backbone interact. energy: -2.290 local terms energy: -350.753103 where: bonds (distance) C4'-P energy: -92.324 bonds (distance) P-C4' energy: -95.243 flat angles C4'-P-C4' energy: -88.798 flat angles P-C4'-P energy: -64.691 tors. eta vs tors. theta energy: -9.697 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: 227 Temperature: 0.900000 Total energy: -2170.461708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.461708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.461708 (E_RNA) where: Base-Base interactions energy: -1515.225 where: short stacking energy: -653.058 Base-Backbone interact. energy: -1.673 local terms energy: -653.563444 where: bonds (distance) C4'-P energy: -125.309 bonds (distance) P-C4' energy: -122.515 flat angles C4'-P-C4' energy: -132.241 flat angles P-C4'-P energy: -86.832 tors. eta vs tors. theta energy: -186.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2056.738241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.738241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.738241 (E_RNA) where: Base-Base interactions energy: -1420.462 where: short stacking energy: -599.346 Base-Backbone interact. energy: -5.424 local terms energy: -630.852406 where: bonds (distance) C4'-P energy: -121.377 bonds (distance) P-C4' energy: -116.273 flat angles C4'-P-C4' energy: -136.212 flat angles P-C4'-P energy: -94.855 tors. eta vs tors. theta energy: -162.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1976.277508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.277508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.277508 (E_RNA) where: Base-Base interactions energy: -1359.691 where: short stacking energy: -596.465 Base-Backbone interact. energy: -2.866 local terms energy: -613.719753 where: bonds (distance) C4'-P energy: -109.301 bonds (distance) P-C4' energy: -124.875 flat angles C4'-P-C4' energy: -132.176 flat angles P-C4'-P energy: -80.955 tors. eta vs tors. theta energy: -166.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1936.491007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.491007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.491007 (E_RNA) where: Base-Base interactions energy: -1328.255 where: short stacking energy: -565.680 Base-Backbone interact. energy: -3.321 local terms energy: -604.914553 where: bonds (distance) C4'-P energy: -111.503 bonds (distance) P-C4' energy: -122.847 flat angles C4'-P-C4' energy: -124.815 flat angles P-C4'-P energy: -87.370 tors. eta vs tors. theta energy: -158.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1841.279580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.279580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.279580 (E_RNA) where: Base-Base interactions energy: -1249.733 where: short stacking energy: -541.386 Base-Backbone interact. energy: -2.395 local terms energy: -589.150892 where: bonds (distance) C4'-P energy: -103.020 bonds (distance) P-C4' energy: -109.173 flat angles C4'-P-C4' energy: -134.059 flat angles P-C4'-P energy: -78.707 tors. eta vs tors. theta energy: -164.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1778.915285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.915285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.915285 (E_RNA) where: Base-Base interactions energy: -1239.503 where: short stacking energy: -532.359 Base-Backbone interact. energy: -2.290 local terms energy: -537.122369 where: bonds (distance) C4'-P energy: -103.289 bonds (distance) P-C4' energy: -105.966 flat angles C4'-P-C4' energy: -123.405 flat angles P-C4'-P energy: -74.269 tors. eta vs tors. theta energy: -130.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1497.810668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.810668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.810668 (E_RNA) where: Base-Base interactions energy: -993.706 where: short stacking energy: -462.085 Base-Backbone interact. energy: 1.565 local terms energy: -505.670422 where: bonds (distance) C4'-P energy: -92.947 bonds (distance) P-C4' energy: -99.471 flat angles C4'-P-C4' energy: -111.965 flat angles P-C4'-P energy: -76.893 tors. eta vs tors. theta energy: -124.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1131.774385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.774385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.774385 (E_RNA) where: Base-Base interactions energy: -699.126 where: short stacking energy: -334.733 Base-Backbone interact. energy: 1.391 local terms energy: -434.038940 where: bonds (distance) C4'-P energy: -101.129 bonds (distance) P-C4' energy: -99.327 flat angles C4'-P-C4' energy: -106.214 flat angles P-C4'-P energy: -66.866 tors. eta vs tors. theta energy: -60.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -886.727156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.727156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.727156 (E_RNA) where: Base-Base interactions energy: -491.412 where: short stacking energy: -253.865 Base-Backbone interact. energy: 1.244 local terms energy: -396.559247 where: bonds (distance) C4'-P energy: -106.092 bonds (distance) P-C4' energy: -105.095 flat angles C4'-P-C4' energy: -90.496 flat angles P-C4'-P energy: -59.953 tors. eta vs tors. theta energy: -34.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -615.462852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.462852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.462852 (E_RNA) where: Base-Base interactions energy: -275.767 where: short stacking energy: -191.346 Base-Backbone interact. energy: 0.711 local terms energy: -340.406427 where: bonds (distance) C4'-P energy: -90.401 bonds (distance) P-C4' energy: -89.681 flat angles C4'-P-C4' energy: -81.267 flat angles P-C4'-P energy: -76.731 tors. eta vs tors. theta energy: -2.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2197.560902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.560902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.560902 (E_RNA) where: Base-Base interactions energy: -1552.198 where: short stacking energy: -645.496 Base-Backbone interact. energy: 0.946 local terms energy: -646.308989 where: bonds (distance) C4'-P energy: -117.731 bonds (distance) P-C4' energy: -123.751 flat angles C4'-P-C4' energy: -132.668 flat angles P-C4'-P energy: -90.845 tors. eta vs tors. theta energy: -181.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2058.545188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.545188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.545188 (E_RNA) where: Base-Base interactions energy: -1429.702 where: short stacking energy: -608.177 Base-Backbone interact. energy: -2.231 local terms energy: -626.612232 where: bonds (distance) C4'-P energy: -120.319 bonds (distance) P-C4' energy: -116.460 flat angles C4'-P-C4' energy: -141.718 flat angles P-C4'-P energy: -77.018 tors. eta vs tors. theta energy: -171.097 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: 3, replica: 7 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1981.798425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.798425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.798425 (E_RNA) where: Base-Base interactions energy: -1386.024 where: short stacking energy: -584.081 Base-Backbone interact. energy: 1.260 local terms energy: -597.033958 where: bonds (distance) C4'-P energy: -103.014 bonds (distance) P-C4' energy: -117.896 flat angles C4'-P-C4' energy: -131.662 flat angles P-C4'-P energy: -84.663 tors. eta vs tors. theta energy: -159.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1952.029885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.029885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.029885 (E_RNA) where: Base-Base interactions energy: -1371.739 where: short stacking energy: -564.772 Base-Backbone interact. energy: -1.512 local terms energy: -578.779152 where: bonds (distance) C4'-P energy: -105.823 bonds (distance) P-C4' energy: -112.271 flat angles C4'-P-C4' energy: -123.195 flat angles P-C4'-P energy: -72.206 tors. eta vs tors. theta energy: -165.285 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: 5, replica: 8 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1855.468237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.468237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.468237 (E_RNA) where: Base-Base interactions energy: -1275.276 where: short stacking energy: -549.145 Base-Backbone interact. energy: -2.288 local terms energy: -577.903742 where: bonds (distance) C4'-P energy: -109.788 bonds (distance) P-C4' energy: -111.843 flat angles C4'-P-C4' energy: -132.835 flat angles P-C4'-P energy: -73.101 tors. eta vs tors. theta energy: -150.337 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: 6, replica: 10 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1754.485100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.485100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.485100 (E_RNA) where: Base-Base interactions energy: -1217.072 where: short stacking energy: -529.463 Base-Backbone interact. energy: -0.664 local terms energy: -536.749266 where: bonds (distance) C4'-P energy: -102.789 bonds (distance) P-C4' energy: -89.167 flat angles C4'-P-C4' energy: -126.258 flat angles P-C4'-P energy: -80.697 tors. eta vs tors. theta energy: -137.839 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: 6 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1493.429834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.429834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.429834 (E_RNA) where: Base-Base interactions energy: -1005.146 where: short stacking energy: -463.598 Base-Backbone interact. energy: -0.872 local terms energy: -487.411616 where: bonds (distance) C4'-P energy: -102.380 bonds (distance) P-C4' energy: -102.274 flat angles C4'-P-C4' energy: -115.925 flat angles P-C4'-P energy: -46.876 tors. eta vs tors. theta energy: -119.957 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: 8, replica: 1 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1214.798602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.798602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.798602 (E_RNA) where: Base-Base interactions energy: -755.212 where: short stacking energy: -345.762 Base-Backbone interact. energy: -1.250 local terms energy: -458.336360 where: bonds (distance) C4'-P energy: -112.812 bonds (distance) P-C4' energy: -96.741 flat angles C4'-P-C4' energy: -105.533 flat angles P-C4'-P energy: -71.311 tors. eta vs tors. theta energy: -71.939 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: 228 Temperature: 1.300000 Total energy: -888.174702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.174702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.174702 (E_RNA) where: Base-Base interactions energy: -526.605 where: short stacking energy: -284.684 Base-Backbone interact. energy: -2.899 local terms energy: -358.671100 where: bonds (distance) C4'-P energy: -62.959 bonds (distance) P-C4' energy: -106.898 flat angles C4'-P-C4' energy: -90.048 flat angles P-C4'-P energy: -50.404 tors. eta vs tors. theta energy: -48.362 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: 4 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -544.043628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.043628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.043628 (E_RNA) where: Base-Base interactions energy: -206.052 where: short stacking energy: -126.026 Base-Backbone interact. energy: 4.642 local terms energy: -342.632977 where: bonds (distance) C4'-P energy: -100.930 bonds (distance) P-C4' energy: -124.140 flat angles C4'-P-C4' energy: -97.107 flat angles P-C4'-P energy: -46.576 tors. eta vs tors. theta energy: 26.120 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: 2 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2201.848767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.848767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.848767 (E_RNA) where: Base-Base interactions energy: -1540.975 where: short stacking energy: -670.981 Base-Backbone interact. energy: 0.336 local terms energy: -661.210078 where: bonds (distance) C4'-P energy: -122.932 bonds (distance) P-C4' energy: -116.778 flat angles C4'-P-C4' energy: -141.900 flat angles P-C4'-P energy: -98.127 tors. eta vs tors. theta energy: -181.472 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: 7 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2039.958189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.958189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.958189 (E_RNA) where: Base-Base interactions energy: -1420.884 where: short stacking energy: -611.990 Base-Backbone interact. energy: -3.040 local terms energy: -616.033541 where: bonds (distance) C4'-P energy: -118.252 bonds (distance) P-C4' energy: -121.703 flat angles C4'-P-C4' energy: -127.025 flat angles P-C4'-P energy: -86.382 tors. eta vs tors. theta energy: -162.671 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: 5 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1991.650026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.650026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.650026 (E_RNA) where: Base-Base interactions energy: -1403.417 where: short stacking energy: -577.629 Base-Backbone interact. energy: -2.050 local terms energy: -586.182790 where: bonds (distance) C4'-P energy: -106.935 bonds (distance) P-C4' energy: -113.301 flat angles C4'-P-C4' energy: -135.751 flat angles P-C4'-P energy: -77.472 tors. eta vs tors. theta energy: -152.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1952.674629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.674629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.674629 (E_RNA) where: Base-Base interactions energy: -1341.286 where: short stacking energy: -548.294 Base-Backbone interact. energy: -0.048 local terms energy: -611.340516 where: bonds (distance) C4'-P energy: -123.432 bonds (distance) P-C4' energy: -119.371 flat angles C4'-P-C4' energy: -135.705 flat angles P-C4'-P energy: -76.812 tors. eta vs tors. theta energy: -156.020 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: 8 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1849.426299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.426299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.426299 (E_RNA) where: Base-Base interactions energy: -1270.692 where: short stacking energy: -561.613 Base-Backbone interact. energy: -0.827 local terms energy: -577.907583 where: bonds (distance) C4'-P energy: -117.755 bonds (distance) P-C4' energy: -104.185 flat angles C4'-P-C4' energy: -115.645 flat angles P-C4'-P energy: -85.413 tors. eta vs tors. theta energy: -154.909 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: 6, replica: 10 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1759.466650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.466650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.466650 (E_RNA) where: Base-Base interactions energy: -1185.355 where: short stacking energy: -522.507 Base-Backbone interact. energy: 0.230 local terms energy: -574.341324 where: bonds (distance) C4'-P energy: -107.213 bonds (distance) P-C4' energy: -110.252 flat angles C4'-P-C4' energy: -127.207 flat angles P-C4'-P energy: -88.955 tors. eta vs tors. theta energy: -140.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1512.237201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.237201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.237201 (E_RNA) where: Base-Base interactions energy: -1025.582 where: short stacking energy: -462.685 Base-Backbone interact. energy: 1.525 local terms energy: -488.180252 where: bonds (distance) C4'-P energy: -88.183 bonds (distance) P-C4' energy: -114.083 flat angles C4'-P-C4' energy: -112.212 flat angles P-C4'-P energy: -64.861 tors. eta vs tors. theta energy: -108.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1107.572663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.572663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.572663 (E_RNA) where: Base-Base interactions energy: -683.215 where: short stacking energy: -338.118 Base-Backbone interact. energy: 1.219 local terms energy: -425.576383 where: bonds (distance) C4'-P energy: -91.139 bonds (distance) P-C4' energy: -111.234 flat angles C4'-P-C4' energy: -111.289 flat angles P-C4'-P energy: -49.320 tors. eta vs tors. theta energy: -62.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -880.859836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.859836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.859836 (E_RNA) where: Base-Base interactions energy: -516.702 where: short stacking energy: -265.585 Base-Backbone interact. energy: 1.623 local terms energy: -365.780895 where: bonds (distance) C4'-P energy: -80.118 bonds (distance) P-C4' energy: -105.167 flat angles C4'-P-C4' energy: -87.227 flat angles P-C4'-P energy: -66.306 tors. eta vs tors. theta energy: -26.962 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: 4 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -540.073628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.073628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.073628 (E_RNA) where: Base-Base interactions energy: -201.830 where: short stacking energy: -145.450 Base-Backbone interact. energy: 4.168 local terms energy: -342.412261 where: bonds (distance) C4'-P energy: -93.715 bonds (distance) P-C4' energy: -120.845 flat angles C4'-P-C4' energy: -88.631 flat angles P-C4'-P energy: -60.824 tors. eta vs tors. theta energy: 21.603 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: 1, replica: 2 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2170.525199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.525199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.525199 (E_RNA) where: Base-Base interactions energy: -1516.690 where: short stacking energy: -664.445 Base-Backbone interact. energy: -1.872 local terms energy: -651.963014 where: bonds (distance) C4'-P energy: -118.316 bonds (distance) P-C4' energy: -124.121 flat angles C4'-P-C4' energy: -137.738 flat angles P-C4'-P energy: -90.526 tors. eta vs tors. theta energy: -181.262 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: 7 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2037.180718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.180718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.180718 (E_RNA) where: Base-Base interactions energy: -1395.494 where: short stacking energy: -622.859 Base-Backbone interact. energy: -2.052 local terms energy: -639.634254 where: bonds (distance) C4'-P energy: -122.066 bonds (distance) P-C4' energy: -115.379 flat angles C4'-P-C4' energy: -142.449 flat angles P-C4'-P energy: -96.021 tors. eta vs tors. theta energy: -163.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1976.099954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.099954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.099954 (E_RNA) where: Base-Base interactions energy: -1369.723 where: short stacking energy: -563.456 Base-Backbone interact. energy: 0.453 local terms energy: -606.829674 where: bonds (distance) C4'-P energy: -123.591 bonds (distance) P-C4' energy: -111.276 flat angles C4'-P-C4' energy: -137.563 flat angles P-C4'-P energy: -82.090 tors. eta vs tors. theta energy: -152.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1942.206502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.206502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.206502 (E_RNA) where: Base-Base interactions energy: -1354.855 where: short stacking energy: -566.364 Base-Backbone interact. energy: -5.132 local terms energy: -582.219549 where: bonds (distance) C4'-P energy: -104.346 bonds (distance) P-C4' energy: -114.511 flat angles C4'-P-C4' energy: -122.515 flat angles P-C4'-P energy: -88.473 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: 5, replica: 8 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1862.743791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.743791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.743791 (E_RNA) where: Base-Base interactions energy: -1288.430 where: short stacking energy: -555.304 Base-Backbone interact. energy: -2.492 local terms energy: -571.821821 where: bonds (distance) C4'-P energy: -101.033 bonds (distance) P-C4' energy: -120.783 flat angles C4'-P-C4' energy: -131.223 flat angles P-C4'-P energy: -66.920 tors. eta vs tors. theta energy: -151.863 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: 10 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1714.609606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.609606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.609606 (E_RNA) where: Base-Base interactions energy: -1194.075 where: short stacking energy: -512.281 Base-Backbone interact. energy: -3.467 local terms energy: -517.067661 where: bonds (distance) C4'-P energy: -101.334 bonds (distance) P-C4' energy: -97.382 flat angles C4'-P-C4' energy: -117.554 flat angles P-C4'-P energy: -69.190 tors. eta vs tors. theta energy: -131.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1488.153842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.153842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.153842 (E_RNA) where: Base-Base interactions energy: -960.271 where: short stacking energy: -431.375 Base-Backbone interact. energy: -1.881 local terms energy: -526.001475 where: bonds (distance) C4'-P energy: -114.363 bonds (distance) P-C4' energy: -102.919 flat angles C4'-P-C4' energy: -126.123 flat angles P-C4'-P energy: -77.679 tors. eta vs tors. theta energy: -104.917 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: 8, replica: 1 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1194.729007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.729007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.729007 (E_RNA) where: Base-Base interactions energy: -772.389 where: short stacking energy: -369.582 Base-Backbone interact. energy: 3.294 local terms energy: -425.634296 where: bonds (distance) C4'-P energy: -105.449 bonds (distance) P-C4' energy: -99.309 flat angles C4'-P-C4' energy: -86.492 flat angles P-C4'-P energy: -67.254 tors. eta vs tors. theta energy: -67.131 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: 9 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -886.012290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.012290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.012290 (E_RNA) where: Base-Base interactions energy: -505.069 where: short stacking energy: -263.005 Base-Backbone interact. energy: -0.876 local terms energy: -380.067553 where: bonds (distance) C4'-P energy: -91.932 bonds (distance) P-C4' energy: -111.724 flat angles C4'-P-C4' energy: -88.317 flat angles P-C4'-P energy: -59.208 tors. eta vs tors. theta energy: -28.885 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: 4 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -565.262362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.262362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.262362 (E_RNA) where: Base-Base interactions energy: -269.632 where: short stacking energy: -151.471 Base-Backbone interact. energy: 4.560 local terms energy: -300.189654 where: bonds (distance) C4'-P energy: -97.271 bonds (distance) P-C4' energy: -94.189 flat angles C4'-P-C4' energy: -78.198 flat angles P-C4'-P energy: -47.257 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: 1, replica: 2 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2201.390286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.390286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.390286 (E_RNA) where: Base-Base interactions energy: -1541.097 where: short stacking energy: -679.234 Base-Backbone interact. energy: -3.155 local terms energy: -657.137789 where: bonds (distance) C4'-P energy: -122.029 bonds (distance) P-C4' energy: -109.593 flat angles C4'-P-C4' energy: -140.823 flat angles P-C4'-P energy: -90.576 tors. eta vs tors. theta energy: -194.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2048.047603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.047603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.047603 (E_RNA) where: Base-Base interactions energy: -1411.427 where: short stacking energy: -610.971 Base-Backbone interact. energy: -1.364 local terms energy: -635.256735 where: bonds (distance) C4'-P energy: -106.691 bonds (distance) P-C4' energy: -134.262 flat angles C4'-P-C4' energy: -133.866 flat angles P-C4'-P energy: -84.333 tors. eta vs tors. theta energy: -176.105 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: 5 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1994.747075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.747075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.747075 (E_RNA) where: Base-Base interactions energy: -1396.597 where: short stacking energy: -578.569 Base-Backbone interact. energy: -0.469 local terms energy: -597.681293 where: bonds (distance) C4'-P energy: -103.952 bonds (distance) P-C4' energy: -122.038 flat angles C4'-P-C4' energy: -132.901 flat angles P-C4'-P energy: -91.784 tors. eta vs tors. theta energy: -147.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1927.453581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.453581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.453581 (E_RNA) where: Base-Base interactions energy: -1353.772 where: short stacking energy: -557.790 Base-Backbone interact. energy: 0.532 local terms energy: -574.213077 where: bonds (distance) C4'-P energy: -100.610 bonds (distance) P-C4' energy: -118.276 flat angles C4'-P-C4' energy: -125.507 flat angles P-C4'-P energy: -74.555 tors. eta vs tors. theta energy: -155.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1813.560975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.560975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.560975 (E_RNA) where: Base-Base interactions energy: -1245.686 where: short stacking energy: -543.615 Base-Backbone interact. energy: -1.266 local terms energy: -566.609215 where: bonds (distance) C4'-P energy: -98.062 bonds (distance) P-C4' energy: -114.595 flat angles C4'-P-C4' energy: -127.684 flat angles P-C4'-P energy: -82.419 tors. eta vs tors. theta energy: -143.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1746.635282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.635282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.635282 (E_RNA) where: Base-Base interactions energy: -1219.011 where: short stacking energy: -513.069 Base-Backbone interact. energy: -0.838 local terms energy: -526.785811 where: bonds (distance) C4'-P energy: -113.664 bonds (distance) P-C4' energy: -88.068 flat angles C4'-P-C4' energy: -124.516 flat angles P-C4'-P energy: -72.748 tors. eta vs tors. theta energy: -127.790 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: 7, replica: 6 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1493.321857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.321857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.321857 (E_RNA) where: Base-Base interactions energy: -999.759 where: short stacking energy: -465.963 Base-Backbone interact. energy: -2.414 local terms energy: -491.148504 where: bonds (distance) C4'-P energy: -94.278 bonds (distance) P-C4' energy: -102.026 flat angles C4'-P-C4' energy: -108.465 flat angles P-C4'-P energy: -69.828 tors. eta vs tors. theta energy: -116.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1197.059187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.059187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.059187 (E_RNA) where: Base-Base interactions energy: -767.114 where: short stacking energy: -375.115 Base-Backbone interact. energy: 1.276 local terms energy: -431.221434 where: bonds (distance) C4'-P energy: -91.696 bonds (distance) P-C4' energy: -108.916 flat angles C4'-P-C4' energy: -105.171 flat angles P-C4'-P energy: -62.283 tors. eta vs tors. theta energy: -63.156 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: 9 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -835.669656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.669656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.669656 (E_RNA) where: Base-Base interactions energy: -457.635 where: short stacking energy: -234.405 Base-Backbone interact. energy: 3.987 local terms energy: -382.022206 where: bonds (distance) C4'-P energy: -116.203 bonds (distance) P-C4' energy: -109.773 flat angles C4'-P-C4' energy: -78.840 flat angles P-C4'-P energy: -63.551 tors. eta vs tors. theta energy: -13.655 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: 10, replica: 4 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -667.183796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.183796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.183796 (E_RNA) where: Base-Base interactions energy: -331.496 where: short stacking energy: -203.373 Base-Backbone interact. energy: 4.246 local terms energy: -339.933522 where: bonds (distance) C4'-P energy: -95.664 bonds (distance) P-C4' energy: -92.657 flat angles C4'-P-C4' energy: -84.087 flat angles P-C4'-P energy: -53.620 tors. eta vs tors. theta energy: -13.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2207.263499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.263499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.263499 (E_RNA) where: Base-Base interactions energy: -1566.868 where: short stacking energy: -670.358 Base-Backbone interact. energy: -2.000 local terms energy: -638.394543 where: bonds (distance) C4'-P energy: -105.479 bonds (distance) P-C4' energy: -125.593 flat angles C4'-P-C4' energy: -143.226 flat angles P-C4'-P energy: -75.194 tors. eta vs tors. theta energy: -188.902 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: 7 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2023.267478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.267478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.267478 (E_RNA) where: Base-Base interactions energy: -1385.825 where: short stacking energy: -603.445 Base-Backbone interact. energy: -1.772 local terms energy: -635.670314 where: bonds (distance) C4'-P energy: -125.887 bonds (distance) P-C4' energy: -122.211 flat angles C4'-P-C4' energy: -133.058 flat angles P-C4'-P energy: -84.528 tors. eta vs tors. theta energy: -169.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1982.236745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.236745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.236745 (E_RNA) where: Base-Base interactions energy: -1400.312 where: short stacking energy: -578.194 Base-Backbone interact. energy: -0.571 local terms energy: -581.353020 where: bonds (distance) C4'-P energy: -100.207 bonds (distance) P-C4' energy: -119.728 flat angles C4'-P-C4' energy: -134.588 flat angles P-C4'-P energy: -83.140 tors. eta vs tors. theta energy: -143.690 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: 3 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1943.073494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.073494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.073494 (E_RNA) where: Base-Base interactions energy: -1342.856 where: short stacking energy: -579.550 Base-Backbone interact. energy: -2.696 local terms energy: -597.521447 where: bonds (distance) C4'-P energy: -109.704 bonds (distance) P-C4' energy: -112.338 flat angles C4'-P-C4' energy: -125.716 flat angles P-C4'-P energy: -94.375 tors. eta vs tors. theta energy: -155.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1829.483373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.483373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.483373 (E_RNA) where: Base-Base interactions energy: -1254.536 where: short stacking energy: -560.234 Base-Backbone interact. energy: -2.217 local terms energy: -572.730596 where: bonds (distance) C4'-P energy: -112.972 bonds (distance) P-C4' energy: -99.349 flat angles C4'-P-C4' energy: -124.337 flat angles P-C4'-P energy: -70.549 tors. eta vs tors. theta energy: -165.524 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: 6, replica: 8 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1749.411630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.411630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.411630 (E_RNA) where: Base-Base interactions energy: -1197.590 where: short stacking energy: -513.934 Base-Backbone interact. energy: -1.235 local terms energy: -550.586906 where: bonds (distance) C4'-P energy: -100.857 bonds (distance) P-C4' energy: -108.443 flat angles C4'-P-C4' energy: -120.305 flat angles P-C4'-P energy: -82.342 tors. eta vs tors. theta energy: -138.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1530.137641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.137641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.137641 (E_RNA) where: Base-Base interactions energy: -1002.658 where: short stacking energy: -454.608 Base-Backbone interact. energy: -2.441 local terms energy: -525.039014 where: bonds (distance) C4'-P energy: -94.165 bonds (distance) P-C4' energy: -128.680 flat angles C4'-P-C4' energy: -123.357 flat angles P-C4'-P energy: -67.805 tors. eta vs tors. theta energy: -111.032 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: 1 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1150.407180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.407180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.407180 (E_RNA) where: Base-Base interactions energy: -697.312 where: short stacking energy: -334.656 Base-Backbone interact. energy: -2.806 local terms energy: -450.289708 where: bonds (distance) C4'-P energy: -114.293 bonds (distance) P-C4' energy: -108.187 flat angles C4'-P-C4' energy: -104.895 flat angles P-C4'-P energy: -71.060 tors. eta vs tors. theta energy: -51.854 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: 9 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -846.345130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.345130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.345130 (E_RNA) where: Base-Base interactions energy: -494.331 where: short stacking energy: -247.225 Base-Backbone interact. energy: -3.734 local terms energy: -348.279803 where: bonds (distance) C4'-P energy: -85.207 bonds (distance) P-C4' energy: -110.701 flat angles C4'-P-C4' energy: -81.880 flat angles P-C4'-P energy: -50.897 tors. eta vs tors. theta energy: -19.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -651.677178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.677178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.677178 (E_RNA) where: Base-Base interactions energy: -334.703 where: short stacking energy: -215.655 Base-Backbone interact. energy: 3.636 local terms energy: -320.610410 where: bonds (distance) C4'-P energy: -77.463 bonds (distance) P-C4' energy: -105.300 flat angles C4'-P-C4' energy: -88.784 flat angles P-C4'-P energy: -42.891 tors. eta vs tors. theta energy: -6.172 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: 2 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2219.922824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.922824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.922824 (E_RNA) where: Base-Base interactions energy: -1535.419 where: short stacking energy: -655.993 Base-Backbone interact. energy: -0.287 local terms energy: -684.216409 where: bonds (distance) C4'-P energy: -116.308 bonds (distance) P-C4' energy: -130.067 flat angles C4'-P-C4' energy: -145.311 flat angles P-C4'-P energy: -104.715 tors. eta vs tors. theta energy: -187.816 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: 7 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2050.712032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.712032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.712032 (E_RNA) where: Base-Base interactions energy: -1427.121 where: short stacking energy: -615.344 Base-Backbone interact. energy: -3.080 local terms energy: -620.511297 where: bonds (distance) C4'-P energy: -128.348 bonds (distance) P-C4' energy: -112.004 flat angles C4'-P-C4' energy: -130.214 flat angles P-C4'-P energy: -78.404 tors. eta vs tors. theta energy: -171.541 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: 5 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1989.311861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.311861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.311861 (E_RNA) where: Base-Base interactions energy: -1393.596 where: short stacking energy: -575.915 Base-Backbone interact. energy: 0.342 local terms energy: -596.058037 where: bonds (distance) C4'-P energy: -100.252 bonds (distance) P-C4' energy: -121.123 flat angles C4'-P-C4' energy: -129.259 flat angles P-C4'-P energy: -88.336 tors. eta vs tors. theta energy: -157.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1941.726056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.726056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.726056 (E_RNA) where: Base-Base interactions energy: -1351.510 where: short stacking energy: -582.421 Base-Backbone interact. energy: -0.678 local terms energy: -589.537891 where: bonds (distance) C4'-P energy: -111.158 bonds (distance) P-C4' energy: -112.379 flat angles C4'-P-C4' energy: -127.430 flat angles P-C4'-P energy: -79.099 tors. eta vs tors. theta energy: -159.471 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: 5, replica: 10 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1771.685479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.685479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.685479 (E_RNA) where: Base-Base interactions energy: -1203.374 where: short stacking energy: -543.277 Base-Backbone interact. energy: -2.235 local terms energy: -566.077007 where: bonds (distance) C4'-P energy: -99.686 bonds (distance) P-C4' energy: -120.314 flat angles C4'-P-C4' energy: -117.917 flat angles P-C4'-P energy: -76.282 tors. eta vs tors. theta energy: -151.878 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: 6, replica: 8 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1724.303811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.303811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.303811 (E_RNA) where: Base-Base interactions energy: -1187.873 where: short stacking energy: -512.137 Base-Backbone interact. energy: 2.839 local terms energy: -539.270064 where: bonds (distance) C4'-P energy: -98.498 bonds (distance) P-C4' energy: -111.800 flat angles C4'-P-C4' energy: -115.789 flat angles P-C4'-P energy: -84.963 tors. eta vs tors. theta energy: -128.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1545.829789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.829789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.829789 (E_RNA) where: Base-Base interactions energy: -1024.641 where: short stacking energy: -455.828 Base-Backbone interact. energy: 0.757 local terms energy: -521.945519 where: bonds (distance) C4'-P energy: -101.590 bonds (distance) P-C4' energy: -110.213 flat angles C4'-P-C4' energy: -116.018 flat angles P-C4'-P energy: -70.763 tors. eta vs tors. theta energy: -123.362 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: 8, replica: 1 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1142.218718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.218718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.218718 (E_RNA) where: Base-Base interactions energy: -715.316 where: short stacking energy: -332.780 Base-Backbone interact. energy: -0.096 local terms energy: -426.806844 where: bonds (distance) C4'-P energy: -77.519 bonds (distance) P-C4' energy: -97.156 flat angles C4'-P-C4' energy: -103.563 flat angles P-C4'-P energy: -69.139 tors. eta vs tors. theta energy: -79.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -898.157695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.157695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.157695 (E_RNA) where: Base-Base interactions energy: -521.764 where: short stacking energy: -290.292 Base-Backbone interact. energy: 6.641 local terms energy: -383.034115 where: bonds (distance) C4'-P energy: -114.207 bonds (distance) P-C4' energy: -103.399 flat angles C4'-P-C4' energy: -98.368 flat angles P-C4'-P energy: -39.005 tors. eta vs tors. theta energy: -28.056 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: 4 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -583.967457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.967457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.967457 (E_RNA) where: Base-Base interactions energy: -260.883 where: short stacking energy: -186.677 Base-Backbone interact. energy: 1.479 local terms energy: -324.563512 where: bonds (distance) C4'-P energy: -96.403 bonds (distance) P-C4' energy: -90.135 flat angles C4'-P-C4' energy: -84.415 flat angles P-C4'-P energy: -48.829 tors. eta vs tors. theta energy: -4.781 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: 2 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2223.068959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.068959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.068959 (E_RNA) where: Base-Base interactions energy: -1556.516 where: short stacking energy: -662.738 Base-Backbone interact. energy: -2.424 local terms energy: -664.129424 where: bonds (distance) C4'-P energy: -123.630 bonds (distance) P-C4' energy: -129.343 flat angles C4'-P-C4' energy: -134.274 flat angles P-C4'-P energy: -93.363 tors. eta vs tors. theta energy: -183.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2055.049140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.049140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.049140 (E_RNA) where: Base-Base interactions energy: -1421.696 where: short stacking energy: -610.162 Base-Backbone interact. energy: -0.632 local terms energy: -632.720569 where: bonds (distance) C4'-P energy: -117.860 bonds (distance) P-C4' energy: -117.793 flat angles C4'-P-C4' energy: -140.683 flat angles P-C4'-P energy: -90.183 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: 3, replica: 5 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1989.890200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.890200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.890200 (E_RNA) where: Base-Base interactions energy: -1381.890 where: short stacking energy: -582.042 Base-Backbone interact. energy: 0.891 local terms energy: -608.891050 where: bonds (distance) C4'-P energy: -109.006 bonds (distance) P-C4' energy: -119.445 flat angles C4'-P-C4' energy: -135.477 flat angles P-C4'-P energy: -78.475 tors. eta vs tors. theta energy: -166.487 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: 3 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1936.168050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.168050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.168050 (E_RNA) where: Base-Base interactions energy: -1333.486 where: short stacking energy: -573.958 Base-Backbone interact. energy: -2.459 local terms energy: -600.223828 where: bonds (distance) C4'-P energy: -95.127 bonds (distance) P-C4' energy: -113.305 flat angles C4'-P-C4' energy: -141.928 flat angles P-C4'-P energy: -86.394 tors. eta vs tors. theta energy: -163.469 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: 10 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1742.839495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.839495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.839495 (E_RNA) where: Base-Base interactions energy: -1163.264 where: short stacking energy: -487.592 Base-Backbone interact. energy: -2.683 local terms energy: -576.892522 where: bonds (distance) C4'-P energy: -117.708 bonds (distance) P-C4' energy: -114.109 flat angles C4'-P-C4' energy: -122.016 flat angles P-C4'-P energy: -84.331 tors. eta vs tors. theta energy: -138.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1753.471000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.471000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.471000 (E_RNA) where: Base-Base interactions energy: -1217.857 where: short stacking energy: -522.596 Base-Backbone interact. energy: -1.086 local terms energy: -534.528720 where: bonds (distance) C4'-P energy: -90.606 bonds (distance) P-C4' energy: -95.445 flat angles C4'-P-C4' energy: -122.806 flat angles P-C4'-P energy: -83.679 tors. eta vs tors. theta energy: -141.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1557.983429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.983429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.983429 (E_RNA) where: Base-Base interactions energy: -1052.607 where: short stacking energy: -465.670 Base-Backbone interact. energy: -1.774 local terms energy: -503.601772 where: bonds (distance) C4'-P energy: -94.429 bonds (distance) P-C4' energy: -103.887 flat angles C4'-P-C4' energy: -117.460 flat angles P-C4'-P energy: -70.490 tors. eta vs tors. theta energy: -117.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1146.188282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.188282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.188282 (E_RNA) where: Base-Base interactions energy: -718.479 where: short stacking energy: -338.734 Base-Backbone interact. energy: -1.801 local terms energy: -425.908559 where: bonds (distance) C4'-P energy: -86.485 bonds (distance) P-C4' energy: -105.905 flat angles C4'-P-C4' energy: -102.911 flat angles P-C4'-P energy: -62.525 tors. eta vs tors. theta energy: -68.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -922.192980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.192980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.192980 (E_RNA) where: Base-Base interactions energy: -532.734 where: short stacking energy: -265.070 Base-Backbone interact. energy: -2.127 local terms energy: -387.332407 where: bonds (distance) C4'-P energy: -105.482 bonds (distance) P-C4' energy: -93.017 flat angles C4'-P-C4' energy: -97.365 flat angles P-C4'-P energy: -64.426 tors. eta vs tors. theta energy: -27.043 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: 4 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -584.824556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.824556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.824556 (E_RNA) where: Base-Base interactions energy: -250.883 where: short stacking energy: -173.243 Base-Backbone interact. energy: 2.277 local terms energy: -336.218319 where: bonds (distance) C4'-P energy: -92.579 bonds (distance) P-C4' energy: -113.886 flat angles C4'-P-C4' energy: -88.181 flat angles P-C4'-P energy: -45.564 tors. eta vs tors. theta energy: 3.992 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: 2 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2206.011354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.011354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.011354 (E_RNA) where: Base-Base interactions energy: -1527.536 where: short stacking energy: -665.062 Base-Backbone interact. energy: -1.979 local terms energy: -676.496216 where: bonds (distance) C4'-P energy: -125.487 bonds (distance) P-C4' energy: -122.422 flat angles C4'-P-C4' energy: -150.000 flat angles P-C4'-P energy: -90.413 tors. eta vs tors. theta energy: -188.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2087.732776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.732776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.732776 (E_RNA) where: Base-Base interactions energy: -1461.317 where: short stacking energy: -612.176 Base-Backbone interact. energy: -1.032 local terms energy: -625.383223 where: bonds (distance) C4'-P energy: -108.632 bonds (distance) P-C4' energy: -103.228 flat angles C4'-P-C4' energy: -134.445 flat angles P-C4'-P energy: -104.050 tors. eta vs tors. theta energy: -175.028 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: 3, replica: 5 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2011.566591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.566591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.566591 (E_RNA) where: Base-Base interactions energy: -1418.196 where: short stacking energy: -599.531 Base-Backbone interact. energy: 0.376 local terms energy: -593.747147 where: bonds (distance) C4'-P energy: -106.946 bonds (distance) P-C4' energy: -101.720 flat angles C4'-P-C4' energy: -133.640 flat angles P-C4'-P energy: -84.952 tors. eta vs tors. theta energy: -166.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1937.597766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.597766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.597766 (E_RNA) where: Base-Base interactions energy: -1319.041 where: short stacking energy: -581.390 Base-Backbone interact. energy: -3.649 local terms energy: -614.908385 where: bonds (distance) C4'-P energy: -123.325 bonds (distance) P-C4' energy: -114.956 flat angles C4'-P-C4' energy: -134.902 flat angles P-C4'-P energy: -77.895 tors. eta vs tors. theta energy: -163.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1763.943180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.943180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.943180 (E_RNA) where: Base-Base interactions energy: -1211.384 where: short stacking energy: -515.444 Base-Backbone interact. energy: 1.694 local terms energy: -554.253388 where: bonds (distance) C4'-P energy: -87.509 bonds (distance) P-C4' energy: -108.809 flat angles C4'-P-C4' energy: -126.021 flat angles P-C4'-P energy: -90.553 tors. eta vs tors. theta energy: -141.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1778.449502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.449502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.449502 (E_RNA) where: Base-Base interactions energy: -1210.059 where: short stacking energy: -516.632 Base-Backbone interact. energy: 8.981 local terms energy: -577.371636 where: bonds (distance) C4'-P energy: -116.322 bonds (distance) P-C4' energy: -100.195 flat angles C4'-P-C4' energy: -124.256 flat angles P-C4'-P energy: -94.055 tors. eta vs tors. theta energy: -142.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1570.067956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.067956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.067956 (E_RNA) where: Base-Base interactions energy: -1049.118 where: short stacking energy: -465.330 Base-Backbone interact. energy: -2.022 local terms energy: -518.927664 where: bonds (distance) C4'-P energy: -91.920 bonds (distance) P-C4' energy: -113.298 flat angles C4'-P-C4' energy: -124.851 flat angles P-C4'-P energy: -71.336 tors. eta vs tors. theta energy: -117.523 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: 8, replica: 1 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1176.165196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.165196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.165196 (E_RNA) where: Base-Base interactions energy: -712.594 where: short stacking energy: -354.422 Base-Backbone interact. energy: -2.004 local terms energy: -461.566557 where: bonds (distance) C4'-P energy: -99.233 bonds (distance) P-C4' energy: -116.653 flat angles C4'-P-C4' energy: -118.644 flat angles P-C4'-P energy: -62.481 tors. eta vs tors. theta energy: -64.556 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: 9, replica: 9 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -850.768859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.768859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.768859 (E_RNA) where: Base-Base interactions energy: -480.430 where: short stacking energy: -229.321 Base-Backbone interact. energy: 2.706 local terms energy: -373.043973 where: bonds (distance) C4'-P energy: -89.465 bonds (distance) P-C4' energy: -103.259 flat angles C4'-P-C4' energy: -105.159 flat angles P-C4'-P energy: -55.282 tors. eta vs tors. theta energy: -19.879 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: 10, replica: 4 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -557.475634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.475634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.475634 (E_RNA) where: Base-Base interactions energy: -231.732 where: short stacking energy: -155.894 Base-Backbone interact. energy: 1.548 local terms energy: -327.291148 where: bonds (distance) C4'-P energy: -88.598 bonds (distance) P-C4' energy: -114.481 flat angles C4'-P-C4' energy: -94.276 flat angles P-C4'-P energy: -41.293 tors. eta vs tors. theta energy: 11.356 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: 2 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2210.832554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.832554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.832554 (E_RNA) where: Base-Base interactions energy: -1546.242 where: short stacking energy: -648.287 Base-Backbone interact. energy: -3.255 local terms energy: -661.335879 where: bonds (distance) C4'-P energy: -110.067 bonds (distance) P-C4' energy: -131.416 flat angles C4'-P-C4' energy: -144.448 flat angles P-C4'-P energy: -92.213 tors. eta vs tors. theta energy: -183.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2042.683039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.683039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.683039 (E_RNA) where: Base-Base interactions energy: -1414.369 where: short stacking energy: -615.895 Base-Backbone interact. energy: -1.320 local terms energy: -626.994096 where: bonds (distance) C4'-P energy: -110.506 bonds (distance) P-C4' energy: -113.852 flat angles C4'-P-C4' energy: -139.030 flat angles P-C4'-P energy: -93.221 tors. eta vs tors. theta energy: -170.386 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: 5 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1976.966710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.966710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.966710 (E_RNA) where: Base-Base interactions energy: -1358.315 where: short stacking energy: -556.931 Base-Backbone interact. energy: 1.773 local terms energy: -620.425558 where: bonds (distance) C4'-P energy: -117.778 bonds (distance) P-C4' energy: -119.047 flat angles C4'-P-C4' energy: -134.292 flat angles P-C4'-P energy: -95.446 tors. eta vs tors. theta energy: -153.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1867.119292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.119292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.119292 (E_RNA) where: Base-Base interactions energy: -1277.457 where: short stacking energy: -547.905 Base-Backbone interact. energy: -0.776 local terms energy: -588.885786 where: bonds (distance) C4'-P energy: -122.633 bonds (distance) P-C4' energy: -101.845 flat angles C4'-P-C4' energy: -130.854 flat angles P-C4'-P energy: -84.896 tors. eta vs tors. theta energy: -148.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1780.553977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.553977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.553977 (E_RNA) where: Base-Base interactions energy: -1204.681 where: short stacking energy: -514.280 Base-Backbone interact. energy: -1.959 local terms energy: -573.914245 where: bonds (distance) C4'-P energy: -108.272 bonds (distance) P-C4' energy: -107.389 flat angles C4'-P-C4' energy: -142.262 flat angles P-C4'-P energy: -79.717 tors. eta vs tors. theta energy: -136.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1699.532506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.532506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.532506 (E_RNA) where: Base-Base interactions energy: -1173.304 where: short stacking energy: -510.281 Base-Backbone interact. energy: -1.558 local terms energy: -524.670105 where: bonds (distance) C4'-P energy: -101.250 bonds (distance) P-C4' energy: -109.728 flat angles C4'-P-C4' energy: -117.829 flat angles P-C4'-P energy: -70.083 tors. eta vs tors. theta energy: -125.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1523.525033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.525033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.525033 (E_RNA) where: Base-Base interactions energy: -1035.146 where: short stacking energy: -443.729 Base-Backbone interact. energy: 0.558 local terms energy: -488.937023 where: bonds (distance) C4'-P energy: -101.599 bonds (distance) P-C4' energy: -98.076 flat angles C4'-P-C4' energy: -110.028 flat angles P-C4'-P energy: -70.489 tors. eta vs tors. theta energy: -108.745 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: 1 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1195.297678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.297678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.297678 (E_RNA) where: Base-Base interactions energy: -728.848 where: short stacking energy: -339.309 Base-Backbone interact. energy: -5.133 local terms energy: -461.317089 where: bonds (distance) C4'-P energy: -119.390 bonds (distance) P-C4' energy: -93.635 flat angles C4'-P-C4' energy: -114.587 flat angles P-C4'-P energy: -70.079 tors. eta vs tors. theta energy: -63.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -849.040113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.040113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.040113 (E_RNA) where: Base-Base interactions energy: -459.379 where: short stacking energy: -255.557 Base-Backbone interact. energy: 1.860 local terms energy: -391.520829 where: bonds (distance) C4'-P energy: -101.897 bonds (distance) P-C4' energy: -108.885 flat angles C4'-P-C4' energy: -94.731 flat angles P-C4'-P energy: -61.341 tors. eta vs tors. theta energy: -24.666 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: 4 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -588.516983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.516983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.516983 (E_RNA) where: Base-Base interactions energy: -245.869 where: short stacking energy: -179.118 Base-Backbone interact. energy: 5.369 local terms energy: -348.017606 where: bonds (distance) C4'-P energy: -107.034 bonds (distance) P-C4' energy: -116.278 flat angles C4'-P-C4' energy: -79.088 flat angles P-C4'-P energy: -51.895 tors. eta vs tors. theta energy: 6.277 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: 1, replica: 2 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2197.289642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.289642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.289642 (E_RNA) where: Base-Base interactions energy: -1534.289 where: short stacking energy: -651.586 Base-Backbone interact. energy: -3.354 local terms energy: -659.646773 where: bonds (distance) C4'-P energy: -123.212 bonds (distance) P-C4' energy: -126.785 flat angles C4'-P-C4' energy: -133.320 flat angles P-C4'-P energy: -87.630 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: 2, replica: 7 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2029.983988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.983988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.983988 (E_RNA) where: Base-Base interactions energy: -1415.904 where: short stacking energy: -601.852 Base-Backbone interact. energy: -5.539 local terms energy: -608.541538 where: bonds (distance) C4'-P energy: -115.650 bonds (distance) P-C4' energy: -114.384 flat angles C4'-P-C4' energy: -142.337 flat angles P-C4'-P energy: -79.705 tors. eta vs tors. theta energy: -156.466 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: 5 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1993.717487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.717487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.717487 (E_RNA) where: Base-Base interactions energy: -1388.798 where: short stacking energy: -589.483 Base-Backbone interact. energy: -2.083 local terms energy: -602.837178 where: bonds (distance) C4'-P energy: -107.272 bonds (distance) P-C4' energy: -116.140 flat angles C4'-P-C4' energy: -137.444 flat angles P-C4'-P energy: -74.997 tors. eta vs tors. theta energy: -166.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1908.080850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.080850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.080850 (E_RNA) where: Base-Base interactions energy: -1319.030 where: short stacking energy: -558.074 Base-Backbone interact. energy: -3.815 local terms energy: -585.236314 where: bonds (distance) C4'-P energy: -109.029 bonds (distance) P-C4' energy: -106.109 flat angles C4'-P-C4' energy: -130.135 flat angles P-C4'-P energy: -80.762 tors. eta vs tors. theta energy: -159.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1769.760003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.760003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.760003 (E_RNA) where: Base-Base interactions energy: -1205.108 where: short stacking energy: -507.393 Base-Backbone interact. energy: -5.011 local terms energy: -559.640532 where: bonds (distance) C4'-P energy: -112.539 bonds (distance) P-C4' energy: -111.338 flat angles C4'-P-C4' energy: -129.450 flat angles P-C4'-P energy: -71.376 tors. eta vs tors. theta energy: -134.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1661.425836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.425836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.425836 (E_RNA) where: Base-Base interactions energy: -1150.850 where: short stacking energy: -497.066 Base-Backbone interact. energy: -0.353 local terms energy: -510.222464 where: bonds (distance) C4'-P energy: -106.310 bonds (distance) P-C4' energy: -98.792 flat angles C4'-P-C4' energy: -114.654 flat angles P-C4'-P energy: -74.530 tors. eta vs tors. theta energy: -115.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1560.632781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.632781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.632781 (E_RNA) where: Base-Base interactions energy: -1030.922 where: short stacking energy: -479.064 Base-Backbone interact. energy: -1.651 local terms energy: -528.060427 where: bonds (distance) C4'-P energy: -101.486 bonds (distance) P-C4' energy: -92.296 flat angles C4'-P-C4' energy: -114.652 flat angles P-C4'-P energy: -93.473 tors. eta vs tors. theta energy: -126.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1173.163895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.163895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.163895 (E_RNA) where: Base-Base interactions energy: -712.865 where: short stacking energy: -351.344 Base-Backbone interact. energy: -2.249 local terms energy: -458.049429 where: bonds (distance) C4'-P energy: -97.291 bonds (distance) P-C4' energy: -115.616 flat angles C4'-P-C4' energy: -106.057 flat angles P-C4'-P energy: -70.937 tors. eta vs tors. theta energy: -68.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -796.433905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.433905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.433905 (E_RNA) where: Base-Base interactions energy: -404.437 where: short stacking energy: -228.740 Base-Backbone interact. energy: -0.584 local terms energy: -391.412986 where: bonds (distance) C4'-P energy: -110.170 bonds (distance) P-C4' energy: -109.877 flat angles C4'-P-C4' energy: -101.792 flat angles P-C4'-P energy: -50.036 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: 10, replica: 4 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -584.242288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.242288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.242288 (E_RNA) where: Base-Base interactions energy: -262.291 where: short stacking energy: -166.481 Base-Backbone interact. energy: 0.057 local terms energy: -322.008066 where: bonds (distance) C4'-P energy: -111.001 bonds (distance) P-C4' energy: -99.696 flat angles C4'-P-C4' energy: -79.330 flat angles P-C4'-P energy: -36.875 tors. eta vs tors. theta energy: 4.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2197.063011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.063011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.063011 (E_RNA) where: Base-Base interactions energy: -1540.675 where: short stacking energy: -647.203 Base-Backbone interact. energy: -2.412 local terms energy: -653.976323 where: bonds (distance) C4'-P energy: -115.636 bonds (distance) P-C4' energy: -118.084 flat angles C4'-P-C4' energy: -143.818 flat angles P-C4'-P energy: -88.377 tors. eta vs tors. theta energy: -188.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2062.821722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.821722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.821722 (E_RNA) where: Base-Base interactions energy: -1435.177 where: short stacking energy: -619.620 Base-Backbone interact. energy: -3.072 local terms energy: -624.572351 where: bonds (distance) C4'-P energy: -124.800 bonds (distance) P-C4' energy: -122.690 flat angles C4'-P-C4' energy: -130.989 flat angles P-C4'-P energy: -81.232 tors. eta vs tors. theta energy: -164.861 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: 3, replica: 5 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2023.503425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.503425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.503425 (E_RNA) where: Base-Base interactions energy: -1399.408 where: short stacking energy: -583.182 Base-Backbone interact. energy: 0.726 local terms energy: -624.821112 where: bonds (distance) C4'-P energy: -113.850 bonds (distance) P-C4' energy: -124.626 flat angles C4'-P-C4' energy: -132.650 flat angles P-C4'-P energy: -92.230 tors. eta vs tors. theta energy: -161.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1871.794311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.794311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.794311 (E_RNA) where: Base-Base interactions energy: -1272.304 where: short stacking energy: -537.113 Base-Backbone interact. energy: -2.453 local terms energy: -597.037299 where: bonds (distance) C4'-P energy: -112.665 bonds (distance) P-C4' energy: -115.701 flat angles C4'-P-C4' energy: -131.909 flat angles P-C4'-P energy: -81.381 tors. eta vs tors. theta energy: -155.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1773.202780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.202780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.202780 (E_RNA) where: Base-Base interactions energy: -1204.560 where: short stacking energy: -517.353 Base-Backbone interact. energy: 2.115 local terms energy: -570.757571 where: bonds (distance) C4'-P energy: -112.949 bonds (distance) P-C4' energy: -94.319 flat angles C4'-P-C4' energy: -131.611 flat angles P-C4'-P energy: -87.093 tors. eta vs tors. theta energy: -144.786 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: 6, replica: 10 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1682.017912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.017912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.017912 (E_RNA) where: Base-Base interactions energy: -1149.931 where: short stacking energy: -497.241 Base-Backbone interact. energy: 0.407 local terms energy: -532.493446 where: bonds (distance) C4'-P energy: -104.471 bonds (distance) P-C4' energy: -93.728 flat angles C4'-P-C4' energy: -120.773 flat angles P-C4'-P energy: -89.764 tors. eta vs tors. theta energy: -123.757 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: 7, replica: 6 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1614.591801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.591801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.591801 (E_RNA) where: Base-Base interactions energy: -1091.915 where: short stacking energy: -496.050 Base-Backbone interact. energy: -1.760 local terms energy: -520.917018 where: bonds (distance) C4'-P energy: -96.610 bonds (distance) P-C4' energy: -94.078 flat angles C4'-P-C4' energy: -124.739 flat angles P-C4'-P energy: -70.874 tors. eta vs tors. theta energy: -134.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1166.992791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.992791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.992791 (E_RNA) where: Base-Base interactions energy: -738.442 where: short stacking energy: -347.151 Base-Backbone interact. energy: 2.478 local terms energy: -431.028955 where: bonds (distance) C4'-P energy: -100.875 bonds (distance) P-C4' energy: -84.441 flat angles C4'-P-C4' energy: -100.405 flat angles P-C4'-P energy: -78.108 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: 9 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -815.196469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.196469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.196469 (E_RNA) where: Base-Base interactions energy: -444.059 where: short stacking energy: -250.755 Base-Backbone interact. energy: 1.676 local terms energy: -372.813588 where: bonds (distance) C4'-P energy: -93.876 bonds (distance) P-C4' energy: -97.571 flat angles C4'-P-C4' energy: -97.686 flat angles P-C4'-P energy: -60.357 tors. eta vs tors. theta energy: -23.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -628.224614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.224614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.224614 (E_RNA) where: Base-Base interactions energy: -309.949 where: short stacking energy: -200.073 Base-Backbone interact. energy: 6.343 local terms energy: -324.618780 where: bonds (distance) C4'-P energy: -91.188 bonds (distance) P-C4' energy: -98.502 flat angles C4'-P-C4' energy: -94.716 flat angles P-C4'-P energy: -47.262 tors. eta vs tors. theta energy: 7.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2216.427885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.427885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.427885 (E_RNA) where: Base-Base interactions energy: -1540.838 where: short stacking energy: -674.604 Base-Backbone interact. energy: -0.782 local terms energy: -674.808480 where: bonds (distance) C4'-P energy: -117.179 bonds (distance) P-C4' energy: -138.708 flat angles C4'-P-C4' energy: -145.595 flat angles P-C4'-P energy: -88.527 tors. eta vs tors. theta energy: -184.799 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: 2, replica: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2080.446779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.446779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.446779 (E_RNA) where: Base-Base interactions energy: -1449.610 where: short stacking energy: -610.714 Base-Backbone interact. energy: -1.640 local terms energy: -629.196937 where: bonds (distance) C4'-P energy: -129.020 bonds (distance) P-C4' energy: -116.319 flat angles C4'-P-C4' energy: -137.359 flat angles P-C4'-P energy: -80.245 tors. eta vs tors. theta energy: -166.253 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: 3, replica: 5 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2002.662850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.662850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.662850 (E_RNA) where: Base-Base interactions energy: -1382.120 where: short stacking energy: -566.535 Base-Backbone interact. energy: -4.515 local terms energy: -616.028177 where: bonds (distance) C4'-P energy: -107.360 bonds (distance) P-C4' energy: -115.008 flat angles C4'-P-C4' energy: -136.019 flat angles P-C4'-P energy: -96.315 tors. eta vs tors. theta energy: -161.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1863.666618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.666618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.666618 (E_RNA) where: Base-Base interactions energy: -1275.892 where: short stacking energy: -542.130 Base-Backbone interact. energy: -2.241 local terms energy: -585.533819 where: bonds (distance) C4'-P energy: -110.905 bonds (distance) P-C4' energy: -101.790 flat angles C4'-P-C4' energy: -131.014 flat angles P-C4'-P energy: -89.682 tors. eta vs tors. theta energy: -152.143 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: 8 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1788.404177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.404177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.404177 (E_RNA) where: Base-Base interactions energy: -1225.198 where: short stacking energy: -517.224 Base-Backbone interact. energy: -0.412 local terms energy: -562.793884 where: bonds (distance) C4'-P energy: -107.117 bonds (distance) P-C4' energy: -91.098 flat angles C4'-P-C4' energy: -129.697 flat angles P-C4'-P energy: -86.000 tors. eta vs tors. theta energy: -148.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1682.116878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.116878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.116878 (E_RNA) where: Base-Base interactions energy: -1121.880 where: short stacking energy: -503.444 Base-Backbone interact. energy: 0.129 local terms energy: -560.366002 where: bonds (distance) C4'-P energy: -106.182 bonds (distance) P-C4' energy: -106.567 flat angles C4'-P-C4' energy: -122.411 flat angles P-C4'-P energy: -78.313 tors. eta vs tors. theta energy: -146.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1561.929784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.929784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.929784 (E_RNA) where: Base-Base interactions energy: -1063.720 where: short stacking energy: -469.182 Base-Backbone interact. energy: -0.795 local terms energy: -497.414242 where: bonds (distance) C4'-P energy: -93.959 bonds (distance) P-C4' energy: -93.525 flat angles C4'-P-C4' energy: -101.980 flat angles P-C4'-P energy: -80.022 tors. eta vs tors. theta energy: -127.927 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: 8, replica: 1 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1194.009086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.009086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.009086 (E_RNA) where: Base-Base interactions energy: -719.861 where: short stacking energy: -345.071 Base-Backbone interact. energy: -1.834 local terms energy: -472.314579 where: bonds (distance) C4'-P energy: -117.705 bonds (distance) P-C4' energy: -104.147 flat angles C4'-P-C4' energy: -110.267 flat angles P-C4'-P energy: -64.214 tors. eta vs tors. theta energy: -75.982 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: 9, replica: 9 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -820.127409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.127409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.127409 (E_RNA) where: Base-Base interactions energy: -450.553 where: short stacking energy: -239.033 Base-Backbone interact. energy: -1.934 local terms energy: -367.641101 where: bonds (distance) C4'-P energy: -102.276 bonds (distance) P-C4' energy: -98.420 flat angles C4'-P-C4' energy: -93.561 flat angles P-C4'-P energy: -50.659 tors. eta vs tors. theta energy: -22.725 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: 4 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -580.962709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.962709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.962709 (E_RNA) where: Base-Base interactions energy: -253.674 where: short stacking energy: -185.459 Base-Backbone interact. energy: 7.861 local terms energy: -335.149580 where: bonds (distance) C4'-P energy: -90.153 bonds (distance) P-C4' energy: -110.881 flat angles C4'-P-C4' energy: -80.014 flat angles P-C4'-P energy: -60.995 tors. eta vs tors. theta energy: 6.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2190.172720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.172720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.172720 (E_RNA) where: Base-Base interactions energy: -1530.215 where: short stacking energy: -667.238 Base-Backbone interact. energy: -1.551 local terms energy: -658.405993 where: bonds (distance) C4'-P energy: -122.446 bonds (distance) P-C4' energy: -130.193 flat angles C4'-P-C4' energy: -132.347 flat angles P-C4'-P energy: -86.977 tors. eta vs tors. theta energy: -186.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2051.755994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.755994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.755994 (E_RNA) where: Base-Base interactions energy: -1433.548 where: short stacking energy: -621.374 Base-Backbone interact. energy: -3.130 local terms energy: -615.077981 where: bonds (distance) C4'-P energy: -103.365 bonds (distance) P-C4' energy: -115.900 flat angles C4'-P-C4' energy: -133.359 flat angles P-C4'-P energy: -95.546 tors. eta vs tors. theta energy: -166.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2023.463846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.463846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.463846 (E_RNA) where: Base-Base interactions energy: -1414.101 where: short stacking energy: -594.188 Base-Backbone interact. energy: -4.440 local terms energy: -604.923215 where: bonds (distance) C4'-P energy: -108.307 bonds (distance) P-C4' energy: -119.626 flat angles C4'-P-C4' energy: -118.973 flat angles P-C4'-P energy: -95.684 tors. eta vs tors. theta energy: -162.333 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: 4, replica: 3 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1892.361211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.361211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.361211 (E_RNA) where: Base-Base interactions energy: -1325.816 where: short stacking energy: -557.147 Base-Backbone interact. energy: 0.754 local terms energy: -567.299578 where: bonds (distance) C4'-P energy: -107.009 bonds (distance) P-C4' energy: -113.000 flat angles C4'-P-C4' energy: -126.512 flat angles P-C4'-P energy: -84.848 tors. eta vs tors. theta energy: -135.931 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: 5, replica: 8 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1826.624351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.624351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.624351 (E_RNA) where: Base-Base interactions energy: -1247.538 where: short stacking energy: -530.977 Base-Backbone interact. energy: -0.147 local terms energy: -578.939898 where: bonds (distance) C4'-P energy: -104.865 bonds (distance) P-C4' energy: -111.849 flat angles C4'-P-C4' energy: -135.758 flat angles P-C4'-P energy: -65.950 tors. eta vs tors. theta energy: -160.518 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: 10 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1639.992341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.992341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.992341 (E_RNA) where: Base-Base interactions energy: -1142.703 where: short stacking energy: -508.553 Base-Backbone interact. energy: -3.235 local terms energy: -494.054496 where: bonds (distance) C4'-P energy: -90.989 bonds (distance) P-C4' energy: -94.497 flat angles C4'-P-C4' energy: -108.273 flat angles P-C4'-P energy: -82.970 tors. eta vs tors. theta energy: -117.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1564.636070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.636070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.636070 (E_RNA) where: Base-Base interactions energy: -1050.026 where: short stacking energy: -467.515 Base-Backbone interact. energy: 3.153 local terms energy: -517.763181 where: bonds (distance) C4'-P energy: -106.601 bonds (distance) P-C4' energy: -99.457 flat angles C4'-P-C4' energy: -117.091 flat angles P-C4'-P energy: -77.736 tors. eta vs tors. theta energy: -116.878 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: 1 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1143.226319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.226319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.226319 (E_RNA) where: Base-Base interactions energy: -711.943 where: short stacking energy: -349.363 Base-Backbone interact. energy: -0.017 local terms energy: -431.266077 where: bonds (distance) C4'-P energy: -98.387 bonds (distance) P-C4' energy: -106.126 flat angles C4'-P-C4' energy: -104.797 flat angles P-C4'-P energy: -45.683 tors. eta vs tors. theta energy: -76.273 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: 9, replica: 9 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -809.309839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.309839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.309839 (E_RNA) where: Base-Base interactions energy: -456.042 where: short stacking energy: -235.851 Base-Backbone interact. energy: 5.074 local terms energy: -358.341727 where: bonds (distance) C4'-P energy: -82.760 bonds (distance) P-C4' energy: -119.176 flat angles C4'-P-C4' energy: -86.814 flat angles P-C4'-P energy: -57.451 tors. eta vs tors. theta energy: -12.142 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: 10, replica: 4 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -576.784401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.784401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.784401 (E_RNA) where: Base-Base interactions energy: -274.560 where: short stacking energy: -143.514 Base-Backbone interact. energy: -3.256 local terms energy: -298.968291 where: bonds (distance) C4'-P energy: -84.138 bonds (distance) P-C4' energy: -84.305 flat angles C4'-P-C4' energy: -83.210 flat angles P-C4'-P energy: -66.465 tors. eta vs tors. theta energy: 19.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2199.378977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.378977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.378977 (E_RNA) where: Base-Base interactions energy: -1540.487 where: short stacking energy: -651.749 Base-Backbone interact. energy: 1.184 local terms energy: -660.076618 where: bonds (distance) C4'-P energy: -128.589 bonds (distance) P-C4' energy: -116.868 flat angles C4'-P-C4' energy: -138.666 flat angles P-C4'-P energy: -93.254 tors. eta vs tors. theta energy: -182.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2074.460506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.460506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.460506 (E_RNA) where: Base-Base interactions energy: -1415.853 where: short stacking energy: -613.569 Base-Backbone interact. energy: -3.386 local terms energy: -655.221110 where: bonds (distance) C4'-P energy: -124.821 bonds (distance) P-C4' energy: -127.137 flat angles C4'-P-C4' energy: -144.254 flat angles P-C4'-P energy: -93.745 tors. eta vs tors. theta energy: -165.264 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: 5 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2037.120498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.120498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.120498 (E_RNA) where: Base-Base interactions energy: -1416.361 where: short stacking energy: -583.497 Base-Backbone interact. energy: -1.946 local terms energy: -618.814031 where: bonds (distance) C4'-P energy: -107.626 bonds (distance) P-C4' energy: -131.935 flat angles C4'-P-C4' energy: -123.918 flat angles P-C4'-P energy: -94.120 tors. eta vs tors. theta energy: -161.214 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: 3 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1928.213535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.213535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.213535 (E_RNA) where: Base-Base interactions energy: -1325.958 where: short stacking energy: -570.073 Base-Backbone interact. energy: 0.166 local terms energy: -602.421130 where: bonds (distance) C4'-P energy: -116.548 bonds (distance) P-C4' energy: -119.715 flat angles C4'-P-C4' energy: -132.383 flat angles P-C4'-P energy: -77.718 tors. eta vs tors. theta energy: -156.056 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: 8 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1844.124299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.124299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.124299 (E_RNA) where: Base-Base interactions energy: -1240.115 where: short stacking energy: -543.136 Base-Backbone interact. energy: 0.311 local terms energy: -604.319438 where: bonds (distance) C4'-P energy: -115.415 bonds (distance) P-C4' energy: -106.938 flat angles C4'-P-C4' energy: -140.489 flat angles P-C4'-P energy: -82.424 tors. eta vs tors. theta energy: -159.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1632.002695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.002695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.002695 (E_RNA) where: Base-Base interactions energy: -1097.436 where: short stacking energy: -477.713 Base-Backbone interact. energy: -1.995 local terms energy: -532.571933 where: bonds (distance) C4'-P energy: -104.095 bonds (distance) P-C4' energy: -99.797 flat angles C4'-P-C4' energy: -128.503 flat angles P-C4'-P energy: -80.993 tors. eta vs tors. theta energy: -119.183 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: 6 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1559.711968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.711968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.711968 (E_RNA) where: Base-Base interactions energy: -1042.891 where: short stacking energy: -441.838 Base-Backbone interact. energy: -3.166 local terms energy: -513.654872 where: bonds (distance) C4'-P energy: -108.826 bonds (distance) P-C4' energy: -107.174 flat angles C4'-P-C4' energy: -109.319 flat angles P-C4'-P energy: -66.121 tors. eta vs tors. theta energy: -122.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1177.079298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.079298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.079298 (E_RNA) where: Base-Base interactions energy: -742.498 where: short stacking energy: -361.378 Base-Backbone interact. energy: -1.741 local terms energy: -432.840251 where: bonds (distance) C4'-P energy: -101.753 bonds (distance) P-C4' energy: -92.719 flat angles C4'-P-C4' energy: -101.663 flat angles P-C4'-P energy: -61.978 tors. eta vs tors. theta energy: -74.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -822.171778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.171778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.171778 (E_RNA) where: Base-Base interactions energy: -463.997 where: short stacking energy: -244.932 Base-Backbone interact. energy: 3.745 local terms energy: -361.919514 where: bonds (distance) C4'-P energy: -94.104 bonds (distance) P-C4' energy: -86.511 flat angles C4'-P-C4' energy: -97.774 flat angles P-C4'-P energy: -52.080 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: 10, replica: 4 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -580.100992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.100992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.100992 (E_RNA) where: Base-Base interactions energy: -286.315 where: short stacking energy: -197.819 Base-Backbone interact. energy: 2.368 local terms energy: -296.154472 where: bonds (distance) C4'-P energy: -94.722 bonds (distance) P-C4' energy: -87.914 flat angles C4'-P-C4' energy: -82.171 flat angles P-C4'-P energy: -54.643 tors. eta vs tors. theta energy: 23.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2185.463361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.463361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.463361 (E_RNA) where: Base-Base interactions energy: -1520.069 where: short stacking energy: -650.949 Base-Backbone interact. energy: -3.682 local terms energy: -661.711879 where: bonds (distance) C4'-P energy: -117.464 bonds (distance) P-C4' energy: -125.805 flat angles C4'-P-C4' energy: -143.665 flat angles P-C4'-P energy: -89.174 tors. eta vs tors. theta energy: -185.604 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: 7 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2031.222926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.222926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.222926 (E_RNA) where: Base-Base interactions energy: -1427.361 where: short stacking energy: -612.897 Base-Backbone interact. energy: -0.288 local terms energy: -603.574523 where: bonds (distance) C4'-P energy: -115.348 bonds (distance) P-C4' energy: -107.149 flat angles C4'-P-C4' energy: -131.158 flat angles P-C4'-P energy: -82.530 tors. eta vs tors. theta energy: -167.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2022.955211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.955211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.955211 (E_RNA) where: Base-Base interactions energy: -1414.718 where: short stacking energy: -619.348 Base-Backbone interact. energy: -0.753 local terms energy: -607.483793 where: bonds (distance) C4'-P energy: -117.685 bonds (distance) P-C4' energy: -111.819 flat angles C4'-P-C4' energy: -127.081 flat angles P-C4'-P energy: -84.034 tors. eta vs tors. theta energy: -166.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1940.256559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.256559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.256559 (E_RNA) where: Base-Base interactions energy: -1344.747 where: short stacking energy: -595.163 Base-Backbone interact. energy: -0.191 local terms energy: -595.319210 where: bonds (distance) C4'-P energy: -115.674 bonds (distance) P-C4' energy: -106.530 flat angles C4'-P-C4' energy: -128.476 flat angles P-C4'-P energy: -86.589 tors. eta vs tors. theta energy: -158.051 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: 8 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1869.659046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.659046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.659046 (E_RNA) where: Base-Base interactions energy: -1290.896 where: short stacking energy: -540.189 Base-Backbone interact. energy: 0.486 local terms energy: -579.249186 where: bonds (distance) C4'-P energy: -116.520 bonds (distance) P-C4' energy: -106.918 flat angles C4'-P-C4' energy: -125.921 flat angles P-C4'-P energy: -74.941 tors. eta vs tors. theta energy: -154.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1658.191125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.191125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.191125 (E_RNA) where: Base-Base interactions energy: -1155.926 where: short stacking energy: -483.342 Base-Backbone interact. energy: -0.405 local terms energy: -501.860114 where: bonds (distance) C4'-P energy: -90.615 bonds (distance) P-C4' energy: -108.796 flat angles C4'-P-C4' energy: -118.492 flat angles P-C4'-P energy: -63.669 tors. eta vs tors. theta energy: -120.288 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: 242 Temperature: 1.200000 Total energy: -1650.470275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.470275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.470275 (E_RNA) where: Base-Base interactions energy: -1116.845 where: short stacking energy: -500.592 Base-Backbone interact. energy: -3.428 local terms energy: -530.197116 where: bonds (distance) C4'-P energy: -97.224 bonds (distance) P-C4' energy: -108.158 flat angles C4'-P-C4' energy: -123.794 flat angles P-C4'-P energy: -71.578 tors. eta vs tors. theta energy: -129.443 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: 1 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1148.398805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.398805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.398805 (E_RNA) where: Base-Base interactions energy: -731.675 where: short stacking energy: -363.093 Base-Backbone interact. energy: -1.054 local terms energy: -415.669792 where: bonds (distance) C4'-P energy: -92.513 bonds (distance) P-C4' energy: -102.197 flat angles C4'-P-C4' energy: -95.749 flat angles P-C4'-P energy: -64.744 tors. eta vs tors. theta energy: -60.467 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: 9 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -825.923630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.923630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.923630 (E_RNA) where: Base-Base interactions energy: -460.464 where: short stacking energy: -226.894 Base-Backbone interact. energy: -2.305 local terms energy: -363.154421 where: bonds (distance) C4'-P energy: -88.192 bonds (distance) P-C4' energy: -114.672 flat angles C4'-P-C4' energy: -85.505 flat angles P-C4'-P energy: -53.582 tors. eta vs tors. theta energy: -21.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -604.269965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.269965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.269965 (E_RNA) where: Base-Base interactions energy: -298.306 where: short stacking energy: -167.661 Base-Backbone interact. energy: 3.680 local terms energy: -309.643288 where: bonds (distance) C4'-P energy: -87.595 bonds (distance) P-C4' energy: -115.591 flat angles C4'-P-C4' energy: -87.015 flat angles P-C4'-P energy: -37.159 tors. eta vs tors. theta energy: 17.717 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: 2 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2194.550327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.550327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.550327 (E_RNA) where: Base-Base interactions energy: -1518.421 where: short stacking energy: -644.956 Base-Backbone interact. energy: -3.016 local terms energy: -673.113858 where: bonds (distance) C4'-P energy: -131.469 bonds (distance) P-C4' energy: -136.238 flat angles C4'-P-C4' energy: -133.458 flat angles P-C4'-P energy: -85.307 tors. eta vs tors. theta energy: -186.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2035.240256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.240256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.240256 (E_RNA) where: Base-Base interactions energy: -1413.923 where: short stacking energy: -626.685 Base-Backbone interact. energy: 0.494 local terms energy: -621.811008 where: bonds (distance) C4'-P energy: -117.689 bonds (distance) P-C4' energy: -109.874 flat angles C4'-P-C4' energy: -144.234 flat angles P-C4'-P energy: -82.109 tors. eta vs tors. theta energy: -167.906 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: 5 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1996.046935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.046935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.046935 (E_RNA) where: Base-Base interactions energy: -1382.076 where: short stacking energy: -575.057 Base-Backbone interact. energy: -0.009 local terms energy: -613.961973 where: bonds (distance) C4'-P energy: -123.899 bonds (distance) P-C4' energy: -124.915 flat angles C4'-P-C4' energy: -126.894 flat angles P-C4'-P energy: -79.235 tors. eta vs tors. theta energy: -159.020 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: 3 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1932.456261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.456261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.456261 (E_RNA) where: Base-Base interactions energy: -1339.944 where: short stacking energy: -586.268 Base-Backbone interact. energy: -3.951 local terms energy: -588.561769 where: bonds (distance) C4'-P energy: -107.451 bonds (distance) P-C4' energy: -108.901 flat angles C4'-P-C4' energy: -126.869 flat angles P-C4'-P energy: -82.561 tors. eta vs tors. theta energy: -162.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1845.780606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.780606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.780606 (E_RNA) where: Base-Base interactions energy: -1257.664 where: short stacking energy: -538.733 Base-Backbone interact. energy: -1.615 local terms energy: -586.501681 where: bonds (distance) C4'-P energy: -111.447 bonds (distance) P-C4' energy: -109.246 flat angles C4'-P-C4' energy: -129.489 flat angles P-C4'-P energy: -83.997 tors. eta vs tors. theta energy: -152.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1661.533272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.533272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.533272 (E_RNA) where: Base-Base interactions energy: -1131.784 where: short stacking energy: -473.906 Base-Backbone interact. energy: -1.274 local terms energy: -528.475073 where: bonds (distance) C4'-P energy: -102.454 bonds (distance) P-C4' energy: -119.786 flat angles C4'-P-C4' energy: -110.244 flat angles P-C4'-P energy: -69.408 tors. eta vs tors. theta energy: -126.584 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: 6 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1647.867256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.867256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.867256 (E_RNA) where: Base-Base interactions energy: -1105.196 where: short stacking energy: -497.341 Base-Backbone interact. energy: -0.743 local terms energy: -541.928027 where: bonds (distance) C4'-P energy: -94.035 bonds (distance) P-C4' energy: -111.813 flat angles C4'-P-C4' energy: -126.915 flat angles P-C4'-P energy: -67.748 tors. eta vs tors. theta energy: -141.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1243.146437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.146437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.146437 (E_RNA) where: Base-Base interactions energy: -769.269 where: short stacking energy: -366.438 Base-Backbone interact. energy: -4.340 local terms energy: -469.537359 where: bonds (distance) C4'-P energy: -101.167 bonds (distance) P-C4' energy: -103.158 flat angles C4'-P-C4' energy: -108.989 flat angles P-C4'-P energy: -77.257 tors. eta vs tors. theta energy: -78.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -828.859345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.859345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.859345 (E_RNA) where: Base-Base interactions energy: -456.939 where: short stacking energy: -268.141 Base-Backbone interact. energy: 2.786 local terms energy: -374.706021 where: bonds (distance) C4'-P energy: -111.947 bonds (distance) P-C4' energy: -88.383 flat angles C4'-P-C4' energy: -79.980 flat angles P-C4'-P energy: -51.307 tors. eta vs tors. theta energy: -43.089 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: 10, replica: 4 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -601.270090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.270090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.270090 (E_RNA) where: Base-Base interactions energy: -289.091 where: short stacking energy: -183.333 Base-Backbone interact. energy: 5.644 local terms energy: -317.823204 where: bonds (distance) C4'-P energy: -84.133 bonds (distance) P-C4' energy: -99.684 flat angles C4'-P-C4' energy: -85.536 flat angles P-C4'-P energy: -57.564 tors. eta vs tors. theta energy: 9.093 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: 1, replica: 2 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2180.564317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.564317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.564317 (E_RNA) where: Base-Base interactions energy: -1516.571 where: short stacking energy: -644.553 Base-Backbone interact. energy: -2.506 local terms energy: -661.486855 where: bonds (distance) C4'-P energy: -129.195 bonds (distance) P-C4' energy: -122.843 flat angles C4'-P-C4' energy: -146.792 flat angles P-C4'-P energy: -75.012 tors. eta vs tors. theta energy: -187.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2070.773403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.773403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.773403 (E_RNA) where: Base-Base interactions energy: -1433.776 where: short stacking energy: -625.254 Base-Backbone interact. energy: -0.851 local terms energy: -636.146257 where: bonds (distance) C4'-P energy: -116.045 bonds (distance) P-C4' energy: -123.215 flat angles C4'-P-C4' energy: -143.317 flat angles P-C4'-P energy: -87.799 tors. eta vs tors. theta energy: -165.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2026.357464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.357464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.357464 (E_RNA) where: Base-Base interactions energy: -1417.421 where: short stacking energy: -586.676 Base-Backbone interact. energy: -1.492 local terms energy: -607.444902 where: bonds (distance) C4'-P energy: -120.285 bonds (distance) P-C4' energy: -111.020 flat angles C4'-P-C4' energy: -133.979 flat angles P-C4'-P energy: -76.862 tors. eta vs tors. theta energy: -165.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1921.664586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.664586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.664586 (E_RNA) where: Base-Base interactions energy: -1333.730 where: short stacking energy: -570.706 Base-Backbone interact. energy: 0.492 local terms energy: -588.426572 where: bonds (distance) C4'-P energy: -107.232 bonds (distance) P-C4' energy: -107.236 flat angles C4'-P-C4' energy: -125.087 flat angles P-C4'-P energy: -86.776 tors. eta vs tors. theta energy: -162.095 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: 8 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1852.693782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.693782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.693782 (E_RNA) where: Base-Base interactions energy: -1280.355 where: short stacking energy: -562.440 Base-Backbone interact. energy: 1.771 local terms energy: -574.109768 where: bonds (distance) C4'-P energy: -112.353 bonds (distance) P-C4' energy: -130.339 flat angles C4'-P-C4' energy: -123.122 flat angles P-C4'-P energy: -64.063 tors. eta vs tors. theta energy: -144.232 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: 10 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1628.550792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.550792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.550792 (E_RNA) where: Base-Base interactions energy: -1071.982 where: short stacking energy: -462.053 Base-Backbone interact. energy: -3.316 local terms energy: -553.253011 where: bonds (distance) C4'-P energy: -124.681 bonds (distance) P-C4' energy: -118.715 flat angles C4'-P-C4' energy: -118.984 flat angles P-C4'-P energy: -77.692 tors. eta vs tors. theta energy: -113.180 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: 7, replica: 6 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1559.710858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.710858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.710858 (E_RNA) where: Base-Base interactions energy: -1063.804 where: short stacking energy: -497.717 Base-Backbone interact. energy: 0.267 local terms energy: -496.173122 where: bonds (distance) C4'-P energy: -90.772 bonds (distance) P-C4' energy: -83.733 flat angles C4'-P-C4' energy: -120.526 flat angles P-C4'-P energy: -76.026 tors. eta vs tors. theta energy: -125.116 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: 1 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1212.173625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.173625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.173625 (E_RNA) where: Base-Base interactions energy: -756.304 where: short stacking energy: -365.198 Base-Backbone interact. energy: 1.705 local terms energy: -457.574834 where: bonds (distance) C4'-P energy: -97.750 bonds (distance) P-C4' energy: -102.837 flat angles C4'-P-C4' energy: -115.181 flat angles P-C4'-P energy: -61.190 tors. eta vs tors. theta energy: -80.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -819.775159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.775159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.775159 (E_RNA) where: Base-Base interactions energy: -431.499 where: short stacking energy: -227.500 Base-Backbone interact. energy: 0.129 local terms energy: -388.405115 where: bonds (distance) C4'-P energy: -99.525 bonds (distance) P-C4' energy: -96.891 flat angles C4'-P-C4' energy: -89.800 flat angles P-C4'-P energy: -74.408 tors. eta vs tors. theta energy: -27.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -580.408360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.408360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.408360 (E_RNA) where: Base-Base interactions energy: -243.078 where: short stacking energy: -163.068 Base-Backbone interact. energy: 1.887 local terms energy: -339.218204 where: bonds (distance) C4'-P energy: -87.736 bonds (distance) P-C4' energy: -118.099 flat angles C4'-P-C4' energy: -88.816 flat angles P-C4'-P energy: -58.252 tors. eta vs tors. theta energy: 13.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2174.240622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.240622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.240622 (E_RNA) where: Base-Base interactions energy: -1511.801 where: short stacking energy: -638.253 Base-Backbone interact. energy: -1.091 local terms energy: -661.348756 where: bonds (distance) C4'-P energy: -127.590 bonds (distance) P-C4' energy: -124.489 flat angles C4'-P-C4' energy: -140.643 flat angles P-C4'-P energy: -89.790 tors. eta vs tors. theta energy: -178.837 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: 5 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2081.631183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.631183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.631183 (E_RNA) where: Base-Base interactions energy: -1430.302 where: short stacking energy: -616.819 Base-Backbone interact. energy: -8.143 local terms energy: -643.186596 where: bonds (distance) C4'-P energy: -115.284 bonds (distance) P-C4' energy: -119.967 flat angles C4'-P-C4' energy: -144.897 flat angles P-C4'-P energy: -91.377 tors. eta vs tors. theta energy: -171.662 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: 7 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1999.182965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.182965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.182965 (E_RNA) where: Base-Base interactions energy: -1414.576 where: short stacking energy: -595.533 Base-Backbone interact. energy: -1.268 local terms energy: -583.339001 where: bonds (distance) C4'-P energy: -107.274 bonds (distance) P-C4' energy: -104.831 flat angles C4'-P-C4' energy: -135.313 flat angles P-C4'-P energy: -77.551 tors. eta vs tors. theta energy: -158.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1938.275887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.275887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.275887 (E_RNA) where: Base-Base interactions energy: -1306.275 where: short stacking energy: -552.854 Base-Backbone interact. energy: -1.297 local terms energy: -630.703832 where: bonds (distance) C4'-P energy: -120.215 bonds (distance) P-C4' energy: -128.650 flat angles C4'-P-C4' energy: -130.778 flat angles P-C4'-P energy: -83.412 tors. eta vs tors. theta energy: -167.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1822.513934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.513934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.513934 (E_RNA) where: Base-Base interactions energy: -1251.224 where: short stacking energy: -525.044 Base-Backbone interact. energy: -3.045 local terms energy: -568.244331 where: bonds (distance) C4'-P energy: -126.034 bonds (distance) P-C4' energy: -101.035 flat angles C4'-P-C4' energy: -129.315 flat angles P-C4'-P energy: -81.670 tors. eta vs tors. theta energy: -130.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1725.038255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.038255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.038255 (E_RNA) where: Base-Base interactions energy: -1185.371 where: short stacking energy: -490.367 Base-Backbone interact. energy: -0.130 local terms energy: -539.536851 where: bonds (distance) C4'-P energy: -104.184 bonds (distance) P-C4' energy: -100.221 flat angles C4'-P-C4' energy: -120.756 flat angles P-C4'-P energy: -78.606 tors. eta vs tors. theta energy: -135.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1516.657543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.657543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.657543 (E_RNA) where: Base-Base interactions energy: -1020.270 where: short stacking energy: -457.859 Base-Backbone interact. energy: -2.465 local terms energy: -493.922759 where: bonds (distance) C4'-P energy: -98.687 bonds (distance) P-C4' energy: -99.494 flat angles C4'-P-C4' energy: -115.850 flat angles P-C4'-P energy: -67.617 tors. eta vs tors. theta energy: -112.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1168.117193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.117193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.117193 (E_RNA) where: Base-Base interactions energy: -730.108 where: short stacking energy: -327.701 Base-Backbone interact. energy: 4.856 local terms energy: -442.865145 where: bonds (distance) C4'-P energy: -91.384 bonds (distance) P-C4' energy: -99.484 flat angles C4'-P-C4' energy: -107.590 flat angles P-C4'-P energy: -88.005 tors. eta vs tors. theta energy: -56.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -856.593731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.593731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.593731 (E_RNA) where: Base-Base interactions energy: -466.379 where: short stacking energy: -255.957 Base-Backbone interact. energy: -0.528 local terms energy: -389.686753 where: bonds (distance) C4'-P energy: -99.720 bonds (distance) P-C4' energy: -105.902 flat angles C4'-P-C4' energy: -95.859 flat angles P-C4'-P energy: -59.400 tors. eta vs tors. theta energy: -28.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -532.206511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.206511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.206511 (E_RNA) where: Base-Base interactions energy: -231.122 where: short stacking energy: -153.412 Base-Backbone interact. energy: 1.280 local terms energy: -302.364859 where: bonds (distance) C4'-P energy: -96.208 bonds (distance) P-C4' energy: -97.717 flat angles C4'-P-C4' energy: -75.423 flat angles P-C4'-P energy: -38.269 tors. eta vs tors. theta energy: 5.252 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: 2 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2188.597369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.597369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.597369 (E_RNA) where: Base-Base interactions energy: -1525.579 where: short stacking energy: -662.849 Base-Backbone interact. energy: -4.229 local terms energy: -658.789135 where: bonds (distance) C4'-P energy: -123.651 bonds (distance) P-C4' energy: -129.975 flat angles C4'-P-C4' energy: -136.664 flat angles P-C4'-P energy: -88.398 tors. eta vs tors. theta energy: -180.101 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: 2, replica: 5 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2084.932468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.932468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.932468 (E_RNA) where: Base-Base interactions energy: -1465.397 where: short stacking energy: -606.828 Base-Backbone interact. energy: -2.448 local terms energy: -617.087449 where: bonds (distance) C4'-P energy: -111.828 bonds (distance) P-C4' energy: -109.364 flat angles C4'-P-C4' energy: -129.944 flat angles P-C4'-P energy: -93.211 tors. eta vs tors. theta energy: -172.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2008.326772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.326772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.326772 (E_RNA) where: Base-Base interactions energy: -1401.638 where: short stacking energy: -596.059 Base-Backbone interact. energy: -1.951 local terms energy: -604.737522 where: bonds (distance) C4'-P energy: -112.953 bonds (distance) P-C4' energy: -113.693 flat angles C4'-P-C4' energy: -136.957 flat angles P-C4'-P energy: -83.352 tors. eta vs tors. theta energy: -157.783 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: 4, replica: 3 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1920.141721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.141721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.141721 (E_RNA) where: Base-Base interactions energy: -1327.648 where: short stacking energy: -571.212 Base-Backbone interact. energy: 3.151 local terms energy: -595.643966 where: bonds (distance) C4'-P energy: -100.218 bonds (distance) P-C4' energy: -115.534 flat angles C4'-P-C4' energy: -131.575 flat angles P-C4'-P energy: -88.883 tors. eta vs tors. theta energy: -159.434 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: 8 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1867.455633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.455633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.455633 (E_RNA) where: Base-Base interactions energy: -1328.966 where: short stacking energy: -597.604 Base-Backbone interact. energy: -2.441 local terms energy: -536.048616 where: bonds (distance) C4'-P energy: -111.912 bonds (distance) P-C4' energy: -78.241 flat angles C4'-P-C4' energy: -114.714 flat angles P-C4'-P energy: -81.000 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: 6, replica: 10 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1722.767473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.767473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.767473 (E_RNA) where: Base-Base interactions energy: -1180.721 where: short stacking energy: -486.470 Base-Backbone interact. energy: -2.371 local terms energy: -539.674533 where: bonds (distance) C4'-P energy: -107.103 bonds (distance) P-C4' energy: -103.437 flat angles C4'-P-C4' energy: -128.919 flat angles P-C4'-P energy: -72.364 tors. eta vs tors. theta energy: -127.851 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: 7, replica: 6 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1540.847391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.847391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.847391 (E_RNA) where: Base-Base interactions energy: -1016.196 where: short stacking energy: -431.469 Base-Backbone interact. energy: 1.520 local terms energy: -526.171914 where: bonds (distance) C4'-P energy: -105.963 bonds (distance) P-C4' energy: -120.206 flat angles C4'-P-C4' energy: -112.071 flat angles P-C4'-P energy: -82.465 tors. eta vs tors. theta energy: -105.466 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: 1 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1238.917090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.917090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.917090 (E_RNA) where: Base-Base interactions energy: -772.321 where: short stacking energy: -355.377 Base-Backbone interact. energy: -1.161 local terms energy: -465.435147 where: bonds (distance) C4'-P energy: -105.808 bonds (distance) P-C4' energy: -110.256 flat angles C4'-P-C4' energy: -106.650 flat angles P-C4'-P energy: -65.109 tors. eta vs tors. theta energy: -77.612 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: 9 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -895.204791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.204791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.204791 (E_RNA) where: Base-Base interactions energy: -515.616 where: short stacking energy: -279.678 Base-Backbone interact. energy: 4.098 local terms energy: -383.686844 where: bonds (distance) C4'-P energy: -91.906 bonds (distance) P-C4' energy: -119.371 flat angles C4'-P-C4' energy: -96.827 flat angles P-C4'-P energy: -55.198 tors. eta vs tors. theta energy: -20.385 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: 4 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -487.977078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.977078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.977078 (E_RNA) where: Base-Base interactions energy: -170.100 where: short stacking energy: -143.416 Base-Backbone interact. energy: 8.118 local terms energy: -325.994742 where: bonds (distance) C4'-P energy: -103.213 bonds (distance) P-C4' energy: -101.703 flat angles C4'-P-C4' energy: -90.432 flat angles P-C4'-P energy: -52.798 tors. eta vs tors. theta energy: 22.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2192.997922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.997922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.997922 (E_RNA) where: Base-Base interactions energy: -1514.371 where: short stacking energy: -644.702 Base-Backbone interact. energy: 1.544 local terms energy: -680.170321 where: bonds (distance) C4'-P energy: -110.558 bonds (distance) P-C4' energy: -131.222 flat angles C4'-P-C4' energy: -150.829 flat angles P-C4'-P energy: -104.249 tors. eta vs tors. theta energy: -183.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2084.521720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.521720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.521720 (E_RNA) where: Base-Base interactions energy: -1453.608 where: short stacking energy: -615.378 Base-Backbone interact. energy: -5.043 local terms energy: -625.871291 where: bonds (distance) C4'-P energy: -127.104 bonds (distance) P-C4' energy: -115.093 flat angles C4'-P-C4' energy: -134.260 flat angles P-C4'-P energy: -86.140 tors. eta vs tors. theta energy: -163.275 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: 3, replica: 7 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1992.228091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.228091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.228091 (E_RNA) where: Base-Base interactions energy: -1378.283 where: short stacking energy: -593.630 Base-Backbone interact. energy: -1.034 local terms energy: -612.911581 where: bonds (distance) C4'-P energy: -115.515 bonds (distance) P-C4' energy: -123.699 flat angles C4'-P-C4' energy: -132.136 flat angles P-C4'-P energy: -79.805 tors. eta vs tors. theta energy: -161.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1889.253930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.253930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.253930 (E_RNA) where: Base-Base interactions energy: -1283.361 where: short stacking energy: -564.676 Base-Backbone interact. energy: -2.463 local terms energy: -603.429657 where: bonds (distance) C4'-P energy: -119.718 bonds (distance) P-C4' energy: -117.324 flat angles C4'-P-C4' energy: -136.601 flat angles P-C4'-P energy: -77.078 tors. eta vs tors. theta energy: -152.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1871.524440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.524440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.524440 (E_RNA) where: Base-Base interactions energy: -1286.997 where: short stacking energy: -582.296 Base-Backbone interact. energy: -1.036 local terms energy: -583.491631 where: bonds (distance) C4'-P energy: -91.306 bonds (distance) P-C4' energy: -123.090 flat angles C4'-P-C4' energy: -126.786 flat angles P-C4'-P energy: -86.423 tors. eta vs tors. theta energy: -155.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1646.936532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.936532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.936532 (E_RNA) where: Base-Base interactions energy: -1120.418 where: short stacking energy: -500.371 Base-Backbone interact. energy: -3.001 local terms energy: -523.517650 where: bonds (distance) C4'-P energy: -88.471 bonds (distance) P-C4' energy: -114.038 flat angles C4'-P-C4' energy: -125.511 flat angles P-C4'-P energy: -70.323 tors. eta vs tors. theta energy: -125.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1525.997996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.997996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.997996 (E_RNA) where: Base-Base interactions energy: -1003.134 where: short stacking energy: -439.978 Base-Backbone interact. energy: -2.009 local terms energy: -520.855407 where: bonds (distance) C4'-P energy: -102.740 bonds (distance) P-C4' energy: -105.409 flat angles C4'-P-C4' energy: -114.967 flat angles P-C4'-P energy: -74.840 tors. eta vs tors. theta energy: -122.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1198.747970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.747970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.747970 (E_RNA) where: Base-Base interactions energy: -743.570 where: short stacking energy: -346.934 Base-Backbone interact. energy: -2.033 local terms energy: -453.144695 where: bonds (distance) C4'-P energy: -108.311 bonds (distance) P-C4' energy: -106.414 flat angles C4'-P-C4' energy: -107.532 flat angles P-C4'-P energy: -58.486 tors. eta vs tors. theta energy: -72.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -821.995025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.995025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.995025 (E_RNA) where: Base-Base interactions energy: -453.611 where: short stacking energy: -255.612 Base-Backbone interact. energy: 0.606 local terms energy: -368.990277 where: bonds (distance) C4'-P energy: -92.465 bonds (distance) P-C4' energy: -106.833 flat angles C4'-P-C4' energy: -85.329 flat angles P-C4'-P energy: -49.232 tors. eta vs tors. theta energy: -35.131 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: 4 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -505.976336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.976336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.976336 (E_RNA) where: Base-Base interactions energy: -187.432 where: short stacking energy: -147.242 Base-Backbone interact. energy: 0.442 local terms energy: -318.986729 where: bonds (distance) C4'-P energy: -98.833 bonds (distance) P-C4' energy: -93.313 flat angles C4'-P-C4' energy: -92.803 flat angles P-C4'-P energy: -44.931 tors. eta vs tors. theta energy: 10.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2183.247921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.247921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.247921 (E_RNA) where: Base-Base interactions energy: -1519.147 where: short stacking energy: -647.380 Base-Backbone interact. energy: -3.230 local terms energy: -660.870844 where: bonds (distance) C4'-P energy: -131.165 bonds (distance) P-C4' energy: -131.434 flat angles C4'-P-C4' energy: -137.097 flat angles P-C4'-P energy: -80.502 tors. eta vs tors. theta energy: -180.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2059.984233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.984233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.984233 (E_RNA) where: Base-Base interactions energy: -1426.936 where: short stacking energy: -597.169 Base-Backbone interact. energy: -3.298 local terms energy: -629.749502 where: bonds (distance) C4'-P energy: -127.494 bonds (distance) P-C4' energy: -120.738 flat angles C4'-P-C4' energy: -131.040 flat angles P-C4'-P energy: -89.142 tors. eta vs tors. theta energy: -161.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2022.728518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.728518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.728518 (E_RNA) where: Base-Base interactions energy: -1399.144 where: short stacking energy: -594.936 Base-Backbone interact. energy: 0.223 local terms energy: -623.807668 where: bonds (distance) C4'-P energy: -104.390 bonds (distance) P-C4' energy: -120.659 flat angles C4'-P-C4' energy: -138.527 flat angles P-C4'-P energy: -96.067 tors. eta vs tors. theta energy: -164.165 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: 4, replica: 3 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1919.105784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.105784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.105784 (E_RNA) where: Base-Base interactions energy: -1318.545 where: short stacking energy: -575.800 Base-Backbone interact. energy: -2.719 local terms energy: -597.841818 where: bonds (distance) C4'-P energy: -106.238 bonds (distance) P-C4' energy: -105.897 flat angles C4'-P-C4' energy: -134.187 flat angles P-C4'-P energy: -73.777 tors. eta vs tors. theta energy: -177.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1844.618607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.618607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.618607 (E_RNA) where: Base-Base interactions energy: -1250.897 where: short stacking energy: -539.071 Base-Backbone interact. energy: -0.519 local terms energy: -593.202165 where: bonds (distance) C4'-P energy: -117.413 bonds (distance) P-C4' energy: -117.438 flat angles C4'-P-C4' energy: -120.459 flat angles P-C4'-P energy: -76.308 tors. eta vs tors. theta energy: -161.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1654.390076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.390076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.390076 (E_RNA) where: Base-Base interactions energy: -1123.762 where: short stacking energy: -487.655 Base-Backbone interact. energy: -0.092 local terms energy: -530.536098 where: bonds (distance) C4'-P energy: -106.893 bonds (distance) P-C4' energy: -103.362 flat angles C4'-P-C4' energy: -130.082 flat angles P-C4'-P energy: -71.973 tors. eta vs tors. theta energy: -118.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1524.884006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.884006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.884006 (E_RNA) where: Base-Base interactions energy: -1010.840 where: short stacking energy: -445.862 Base-Backbone interact. energy: 0.668 local terms energy: -514.711923 where: bonds (distance) C4'-P energy: -103.564 bonds (distance) P-C4' energy: -102.704 flat angles C4'-P-C4' energy: -112.806 flat angles P-C4'-P energy: -87.393 tors. eta vs tors. theta energy: -108.244 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: 8, replica: 1 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1243.237678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.237678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.237678 (E_RNA) where: Base-Base interactions energy: -796.800 where: short stacking energy: -370.560 Base-Backbone interact. energy: 0.269 local terms energy: -446.706094 where: bonds (distance) C4'-P energy: -107.020 bonds (distance) P-C4' energy: -106.523 flat angles C4'-P-C4' energy: -112.616 flat angles P-C4'-P energy: -55.272 tors. eta vs tors. theta energy: -65.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -857.517636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.517636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.517636 (E_RNA) where: Base-Base interactions energy: -485.436 where: short stacking energy: -264.537 Base-Backbone interact. energy: -4.338 local terms energy: -367.744019 where: bonds (distance) C4'-P energy: -99.309 bonds (distance) P-C4' energy: -105.571 flat angles C4'-P-C4' energy: -91.581 flat angles P-C4'-P energy: -58.099 tors. eta vs tors. theta energy: -13.184 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: 10, replica: 4 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -553.728054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.728054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.728054 (E_RNA) where: Base-Base interactions energy: -243.458 where: short stacking energy: -168.278 Base-Backbone interact. energy: 1.965 local terms energy: -312.234822 where: bonds (distance) C4'-P energy: -102.616 bonds (distance) P-C4' energy: -92.993 flat angles C4'-P-C4' energy: -70.197 flat angles P-C4'-P energy: -37.807 tors. eta vs tors. theta energy: -8.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2210.357684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.357684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.357684 (E_RNA) where: Base-Base interactions energy: -1541.590 where: short stacking energy: -672.555 Base-Backbone interact. energy: 0.117 local terms energy: -668.885171 where: bonds (distance) C4'-P energy: -122.349 bonds (distance) P-C4' energy: -118.879 flat angles C4'-P-C4' energy: -139.988 flat angles P-C4'-P energy: -97.204 tors. eta vs tors. theta energy: -190.466 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: 7 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2018.367469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.367469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.367469 (E_RNA) where: Base-Base interactions energy: -1387.825 where: short stacking energy: -580.246 Base-Backbone interact. energy: 1.541 local terms energy: -632.083591 where: bonds (distance) C4'-P energy: -117.351 bonds (distance) P-C4' energy: -124.917 flat angles C4'-P-C4' energy: -134.922 flat angles P-C4'-P energy: -90.722 tors. eta vs tors. theta energy: -164.173 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: 5 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1975.405747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.405747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.405747 (E_RNA) where: Base-Base interactions energy: -1390.814 where: short stacking energy: -586.312 Base-Backbone interact. energy: 0.068 local terms energy: -584.659569 where: bonds (distance) C4'-P energy: -94.959 bonds (distance) P-C4' energy: -123.096 flat angles C4'-P-C4' energy: -136.193 flat angles P-C4'-P energy: -76.856 tors. eta vs tors. theta energy: -153.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1847.541222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.541222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.541222 (E_RNA) where: Base-Base interactions energy: -1268.592 where: short stacking energy: -531.011 Base-Backbone interact. energy: 1.790 local terms energy: -580.738920 where: bonds (distance) C4'-P energy: -113.299 bonds (distance) P-C4' energy: -126.956 flat angles C4'-P-C4' energy: -117.315 flat angles P-C4'-P energy: -82.590 tors. eta vs tors. theta energy: -140.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1884.941345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.941345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.941345 (E_RNA) where: Base-Base interactions energy: -1282.574 where: short stacking energy: -563.304 Base-Backbone interact. energy: -1.982 local terms energy: -600.385445 where: bonds (distance) C4'-P energy: -114.596 bonds (distance) P-C4' energy: -108.153 flat angles C4'-P-C4' energy: -122.728 flat angles P-C4'-P energy: -84.589 tors. eta vs tors. theta energy: -170.319 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: 10 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1641.165175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.165175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.165175 (E_RNA) where: Base-Base interactions energy: -1123.754 where: short stacking energy: -495.301 Base-Backbone interact. energy: -1.152 local terms energy: -516.259429 where: bonds (distance) C4'-P energy: -103.751 bonds (distance) P-C4' energy: -99.033 flat angles C4'-P-C4' energy: -112.697 flat angles P-C4'-P energy: -71.024 tors. eta vs tors. theta energy: -129.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1576.469766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.469766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.469766 (E_RNA) where: Base-Base interactions energy: -1060.243 where: short stacking energy: -493.096 Base-Backbone interact. energy: -0.963 local terms energy: -515.262956 where: bonds (distance) C4'-P energy: -104.811 bonds (distance) P-C4' energy: -106.766 flat angles C4'-P-C4' energy: -109.256 flat angles P-C4'-P energy: -57.633 tors. eta vs tors. theta energy: -136.796 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: 8, replica: 1 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1327.137770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.137770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.137770 (E_RNA) where: Base-Base interactions energy: -859.979 where: short stacking energy: -390.029 Base-Backbone interact. energy: -2.537 local terms energy: -464.621648 where: bonds (distance) C4'-P energy: -99.875 bonds (distance) P-C4' energy: -110.521 flat angles C4'-P-C4' energy: -100.743 flat angles P-C4'-P energy: -56.033 tors. eta vs tors. theta energy: -97.451 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: 249 Temperature: 1.300000 Total energy: -881.602252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.602252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.602252 (E_RNA) where: Base-Base interactions energy: -502.940 where: short stacking energy: -248.028 Base-Backbone interact. energy: 0.513 local terms energy: -379.174741 where: bonds (distance) C4'-P energy: -104.815 bonds (distance) P-C4' energy: -104.605 flat angles C4'-P-C4' energy: -98.382 flat angles P-C4'-P energy: -40.390 tors. eta vs tors. theta energy: -30.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -589.416505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.416505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.416505 (E_RNA) where: Base-Base interactions energy: -266.548 where: short stacking energy: -162.747 Base-Backbone interact. energy: -2.603 local terms energy: -320.265661 where: bonds (distance) C4'-P energy: -90.478 bonds (distance) P-C4' energy: -114.885 flat angles C4'-P-C4' energy: -83.947 flat angles P-C4'-P energy: -41.193 tors. eta vs tors. theta energy: 10.238 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: 1, replica: 2 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2204.198951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.198951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.198951 (E_RNA) where: Base-Base interactions energy: -1543.909 where: short stacking energy: -649.855 Base-Backbone interact. energy: -0.751 local terms energy: -659.538797 where: bonds (distance) C4'-P energy: -116.395 bonds (distance) P-C4' energy: -120.831 flat angles C4'-P-C4' energy: -144.148 flat angles P-C4'-P energy: -90.990 tors. eta vs tors. theta energy: -187.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2049.015870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.015870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.015870 (E_RNA) where: Base-Base interactions energy: -1426.311 where: short stacking energy: -618.798 Base-Backbone interact. energy: -2.481 local terms energy: -620.224111 where: bonds (distance) C4'-P energy: -122.877 bonds (distance) P-C4' energy: -109.623 flat angles C4'-P-C4' energy: -133.754 flat angles P-C4'-P energy: -89.611 tors. eta vs tors. theta energy: -164.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1943.726538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.726538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.726538 (E_RNA) where: Base-Base interactions energy: -1371.495 where: short stacking energy: -557.119 Base-Backbone interact. energy: -4.535 local terms energy: -567.696812 where: bonds (distance) C4'-P energy: -113.496 bonds (distance) P-C4' energy: -111.335 flat angles C4'-P-C4' energy: -133.799 flat angles P-C4'-P energy: -71.970 tors. eta vs tors. theta energy: -137.097 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: 4, replica: 3 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1895.206928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.206928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.206928 (E_RNA) where: Base-Base interactions energy: -1310.169 where: short stacking energy: -538.751 Base-Backbone interact. energy: -0.088 local terms energy: -584.949568 where: bonds (distance) C4'-P energy: -101.265 bonds (distance) P-C4' energy: -113.502 flat angles C4'-P-C4' energy: -133.421 flat angles P-C4'-P energy: -93.052 tors. eta vs tors. theta energy: -143.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1887.804726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.804726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.804726 (E_RNA) where: Base-Base interactions energy: -1266.384 where: short stacking energy: -565.434 Base-Backbone interact. energy: -2.819 local terms energy: -618.602041 where: bonds (distance) C4'-P energy: -113.867 bonds (distance) P-C4' energy: -128.636 flat angles C4'-P-C4' energy: -132.155 flat angles P-C4'-P energy: -85.602 tors. eta vs tors. theta energy: -158.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1637.946738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.946738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.946738 (E_RNA) where: Base-Base interactions energy: -1115.440 where: short stacking energy: -481.669 Base-Backbone interact. energy: -2.748 local terms energy: -519.758880 where: bonds (distance) C4'-P energy: -110.873 bonds (distance) P-C4' energy: -105.727 flat angles C4'-P-C4' energy: -135.778 flat angles P-C4'-P energy: -60.971 tors. eta vs tors. theta energy: -106.410 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: 6 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1560.174228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.174228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.174228 (E_RNA) where: Base-Base interactions energy: -1046.967 where: short stacking energy: -463.258 Base-Backbone interact. energy: -4.592 local terms energy: -508.616004 where: bonds (distance) C4'-P energy: -95.034 bonds (distance) P-C4' energy: -112.910 flat angles C4'-P-C4' energy: -110.591 flat angles P-C4'-P energy: -74.189 tors. eta vs tors. theta energy: -115.892 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: 1 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1294.705605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.705605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.705605 (E_RNA) where: Base-Base interactions energy: -842.705 where: short stacking energy: -373.564 Base-Backbone interact. energy: -3.063 local terms energy: -448.937612 where: bonds (distance) C4'-P energy: -102.574 bonds (distance) P-C4' energy: -92.002 flat angles C4'-P-C4' energy: -112.084 flat angles P-C4'-P energy: -53.115 tors. eta vs tors. theta energy: -89.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -840.379663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.379663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.379663 (E_RNA) where: Base-Base interactions energy: -449.572 where: short stacking energy: -250.731 Base-Backbone interact. energy: 0.634 local terms energy: -391.441648 where: bonds (distance) C4'-P energy: -107.391 bonds (distance) P-C4' energy: -110.440 flat angles C4'-P-C4' energy: -93.945 flat angles P-C4'-P energy: -53.845 tors. eta vs tors. theta energy: -25.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -508.846604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.846604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.846604 (E_RNA) where: Base-Base interactions energy: -173.931 where: short stacking energy: -147.028 Base-Backbone interact. energy: 4.069 local terms energy: -338.984099 where: bonds (distance) C4'-P energy: -90.244 bonds (distance) P-C4' energy: -113.358 flat angles C4'-P-C4' energy: -92.545 flat angles P-C4'-P energy: -56.202 tors. eta vs tors. theta energy: 13.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2189.279626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.279626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.279626 (E_RNA) where: Base-Base interactions energy: -1522.082 where: short stacking energy: -643.880 Base-Backbone interact. energy: 0.121 local terms energy: -667.318843 where: bonds (distance) C4'-P energy: -135.247 bonds (distance) P-C4' energy: -130.298 flat angles C4'-P-C4' energy: -131.363 flat angles P-C4'-P energy: -97.965 tors. eta vs tors. theta energy: -172.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2048.760438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.760438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.760438 (E_RNA) where: Base-Base interactions energy: -1432.047 where: short stacking energy: -627.829 Base-Backbone interact. energy: 0.955 local terms energy: -617.669182 where: bonds (distance) C4'-P energy: -123.552 bonds (distance) P-C4' energy: -111.356 flat angles C4'-P-C4' energy: -131.014 flat angles P-C4'-P energy: -80.092 tors. eta vs tors. theta energy: -171.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2014.494551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.494551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.494551 (E_RNA) where: Base-Base interactions energy: -1415.869 where: short stacking energy: -563.904 Base-Backbone interact. energy: -4.004 local terms energy: -594.621484 where: bonds (distance) C4'-P energy: -113.307 bonds (distance) P-C4' energy: -120.900 flat angles C4'-P-C4' energy: -133.268 flat angles P-C4'-P energy: -91.941 tors. eta vs tors. theta energy: -135.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1858.915157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.915157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.915157 (E_RNA) where: Base-Base interactions energy: -1274.120 where: short stacking energy: -544.759 Base-Backbone interact. energy: -0.755 local terms energy: -584.039423 where: bonds (distance) C4'-P energy: -111.341 bonds (distance) P-C4' energy: -108.988 flat angles C4'-P-C4' energy: -128.471 flat angles P-C4'-P energy: -88.773 tors. eta vs tors. theta energy: -146.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1814.930292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.930292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.930292 (E_RNA) where: Base-Base interactions energy: -1243.264 where: short stacking energy: -550.583 Base-Backbone interact. energy: -0.287 local terms energy: -571.379543 where: bonds (distance) C4'-P energy: -116.264 bonds (distance) P-C4' energy: -111.006 flat angles C4'-P-C4' energy: -129.299 flat angles P-C4'-P energy: -63.518 tors. eta vs tors. theta energy: -151.292 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: 6, replica: 10 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1633.847343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.847343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.847343 (E_RNA) where: Base-Base interactions energy: -1083.318 where: short stacking energy: -475.388 Base-Backbone interact. energy: -3.529 local terms energy: -547.000336 where: bonds (distance) C4'-P energy: -111.448 bonds (distance) P-C4' energy: -109.703 flat angles C4'-P-C4' energy: -127.519 flat angles P-C4'-P energy: -80.661 tors. eta vs tors. theta energy: -117.670 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: 7, replica: 6 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1546.729125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.729125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.729125 (E_RNA) where: Base-Base interactions energy: -1031.708 where: short stacking energy: -468.848 Base-Backbone interact. energy: 3.829 local terms energy: -518.849648 where: bonds (distance) C4'-P energy: -111.600 bonds (distance) P-C4' energy: -93.812 flat angles C4'-P-C4' energy: -125.240 flat angles P-C4'-P energy: -69.187 tors. eta vs tors. theta energy: -119.010 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: 1 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1328.681404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.681404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.681404 (E_RNA) where: Base-Base interactions energy: -863.648 where: short stacking energy: -411.334 Base-Backbone interact. energy: 0.247 local terms energy: -465.280412 where: bonds (distance) C4'-P energy: -106.723 bonds (distance) P-C4' energy: -102.575 flat angles C4'-P-C4' energy: -103.116 flat angles P-C4'-P energy: -58.088 tors. eta vs tors. theta energy: -94.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -871.066530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.066530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.066530 (E_RNA) where: Base-Base interactions energy: -487.224 where: short stacking energy: -237.357 Base-Backbone interact. energy: 3.187 local terms energy: -387.030176 where: bonds (distance) C4'-P energy: -103.864 bonds (distance) P-C4' energy: -111.929 flat angles C4'-P-C4' energy: -95.513 flat angles P-C4'-P energy: -53.213 tors. eta vs tors. theta energy: -22.511 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: 10, replica: 4 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -561.114332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.114332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.114332 (E_RNA) where: Base-Base interactions energy: -205.759 where: short stacking energy: -150.596 Base-Backbone interact. energy: 0.928 local terms energy: -356.284122 where: bonds (distance) C4'-P energy: -102.206 bonds (distance) P-C4' energy: -119.955 flat angles C4'-P-C4' energy: -92.872 flat angles P-C4'-P energy: -57.995 tors. eta vs tors. theta energy: 16.744 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: 1, replica: 2 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2198.019324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.019324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.019324 (E_RNA) where: Base-Base interactions energy: -1539.852 where: short stacking energy: -650.235 Base-Backbone interact. energy: 0.717 local terms energy: -658.884053 where: bonds (distance) C4'-P energy: -121.007 bonds (distance) P-C4' energy: -110.699 flat angles C4'-P-C4' energy: -147.491 flat angles P-C4'-P energy: -98.039 tors. eta vs tors. theta energy: -181.648 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: 7 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2059.960385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.960385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.960385 (E_RNA) where: Base-Base interactions energy: -1433.908 where: short stacking energy: -589.848 Base-Backbone interact. energy: -3.274 local terms energy: -622.777582 where: bonds (distance) C4'-P energy: -127.423 bonds (distance) P-C4' energy: -117.971 flat angles C4'-P-C4' energy: -140.965 flat angles P-C4'-P energy: -81.820 tors. eta vs tors. theta energy: -154.599 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: 5 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1992.627054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.627054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.627054 (E_RNA) where: Base-Base interactions energy: -1408.584 where: short stacking energy: -589.865 Base-Backbone interact. energy: -5.402 local terms energy: -578.641362 where: bonds (distance) C4'-P energy: -108.839 bonds (distance) P-C4' energy: -107.838 flat angles C4'-P-C4' energy: -132.316 flat angles P-C4'-P energy: -80.691 tors. eta vs tors. theta energy: -148.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1870.721598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.721598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.721598 (E_RNA) where: Base-Base interactions energy: -1274.642 where: short stacking energy: -552.213 Base-Backbone interact. energy: -1.883 local terms energy: -594.196930 where: bonds (distance) C4'-P energy: -94.392 bonds (distance) P-C4' energy: -124.172 flat angles C4'-P-C4' energy: -127.820 flat angles P-C4'-P energy: -95.362 tors. eta vs tors. theta energy: -152.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1820.770034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.770034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.770034 (E_RNA) where: Base-Base interactions energy: -1250.479 where: short stacking energy: -539.704 Base-Backbone interact. energy: -5.312 local terms energy: -564.978436 where: bonds (distance) C4'-P energy: -109.468 bonds (distance) P-C4' energy: -106.013 flat angles C4'-P-C4' energy: -122.315 flat angles P-C4'-P energy: -76.280 tors. eta vs tors. theta energy: -150.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1669.556353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.556353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.556353 (E_RNA) where: Base-Base interactions energy: -1123.969 where: short stacking energy: -494.775 Base-Backbone interact. energy: -3.452 local terms energy: -542.134500 where: bonds (distance) C4'-P energy: -112.650 bonds (distance) P-C4' energy: -105.355 flat angles C4'-P-C4' energy: -123.278 flat angles P-C4'-P energy: -68.576 tors. eta vs tors. theta energy: -132.275 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: 252 Temperature: 1.200000 Total energy: -1553.595017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.595017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.595017 (E_RNA) where: Base-Base interactions energy: -1035.970 where: short stacking energy: -435.843 Base-Backbone interact. energy: -0.072 local terms energy: -517.553107 where: bonds (distance) C4'-P energy: -116.021 bonds (distance) P-C4' energy: -102.392 flat angles C4'-P-C4' energy: -110.819 flat angles P-C4'-P energy: -70.244 tors. eta vs tors. theta energy: -118.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1354.331400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.331400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.331400 (E_RNA) where: Base-Base interactions energy: -857.221 where: short stacking energy: -411.676 Base-Backbone interact. energy: -1.055 local terms energy: -496.055397 where: bonds (distance) C4'-P energy: -85.215 bonds (distance) P-C4' energy: -119.911 flat angles C4'-P-C4' energy: -107.195 flat angles P-C4'-P energy: -77.036 tors. eta vs tors. theta energy: -106.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -891.897663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.897663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.897663 (E_RNA) where: Base-Base interactions energy: -548.199 where: short stacking energy: -272.961 Base-Backbone interact. energy: -0.086 local terms energy: -343.612830 where: bonds (distance) C4'-P energy: -72.895 bonds (distance) P-C4' energy: -101.279 flat angles C4'-P-C4' energy: -87.760 flat angles P-C4'-P energy: -54.705 tors. eta vs tors. theta energy: -26.973 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: 4 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -661.681964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.681964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.681964 (E_RNA) where: Base-Base interactions energy: -328.196 where: short stacking energy: -194.782 Base-Backbone interact. energy: 5.608 local terms energy: -339.094052 where: bonds (distance) C4'-P energy: -105.255 bonds (distance) P-C4' energy: -108.723 flat angles C4'-P-C4' energy: -71.210 flat angles P-C4'-P energy: -56.978 tors. eta vs tors. theta energy: 3.072 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: 2 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2190.382419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.382419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.382419 (E_RNA) where: Base-Base interactions energy: -1525.315 where: short stacking energy: -654.042 Base-Backbone interact. energy: -1.609 local terms energy: -663.457800 where: bonds (distance) C4'-P energy: -121.374 bonds (distance) P-C4' energy: -135.025 flat angles C4'-P-C4' energy: -140.117 flat angles P-C4'-P energy: -83.780 tors. eta vs tors. theta energy: -183.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2021.886295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.886295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.886295 (E_RNA) where: Base-Base interactions energy: -1407.161 where: short stacking energy: -580.138 Base-Backbone interact. energy: 1.409 local terms energy: -616.134113 where: bonds (distance) C4'-P energy: -132.609 bonds (distance) P-C4' energy: -113.062 flat angles C4'-P-C4' energy: -137.584 flat angles P-C4'-P energy: -88.613 tors. eta vs tors. theta energy: -144.266 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: 7 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1974.014172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.014172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.014172 (E_RNA) where: Base-Base interactions energy: -1382.607 where: short stacking energy: -604.350 Base-Backbone interact. energy: -1.612 local terms energy: -589.795846 where: bonds (distance) C4'-P energy: -120.569 bonds (distance) P-C4' energy: -115.725 flat angles C4'-P-C4' energy: -120.212 flat angles P-C4'-P energy: -76.776 tors. eta vs tors. theta energy: -156.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1888.196843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.196843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.196843 (E_RNA) where: Base-Base interactions energy: -1294.606 where: short stacking energy: -566.735 Base-Backbone interact. energy: -0.062 local terms energy: -593.529172 where: bonds (distance) C4'-P energy: -104.465 bonds (distance) P-C4' energy: -120.713 flat angles C4'-P-C4' energy: -138.399 flat angles P-C4'-P energy: -87.880 tors. eta vs tors. theta energy: -142.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1816.303784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.303784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.303784 (E_RNA) where: Base-Base interactions energy: -1235.284 where: short stacking energy: -496.297 Base-Backbone interact. energy: 1.152 local terms energy: -582.171718 where: bonds (distance) C4'-P energy: -126.744 bonds (distance) P-C4' energy: -115.073 flat angles C4'-P-C4' energy: -124.242 flat angles P-C4'-P energy: -79.557 tors. eta vs tors. theta energy: -136.556 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: 6, replica: 10 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1712.580693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.580693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.580693 (E_RNA) where: Base-Base interactions energy: -1173.094 where: short stacking energy: -513.060 Base-Backbone interact. energy: -1.782 local terms energy: -537.704378 where: bonds (distance) C4'-P energy: -93.093 bonds (distance) P-C4' energy: -109.746 flat angles C4'-P-C4' energy: -115.226 flat angles P-C4'-P energy: -74.642 tors. eta vs tors. theta energy: -144.997 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: 253 Temperature: 1.200000 Total energy: -1532.204508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.204508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.204508 (E_RNA) where: Base-Base interactions energy: -1032.031 where: short stacking energy: -475.389 Base-Backbone interact. energy: -0.846 local terms energy: -499.327751 where: bonds (distance) C4'-P energy: -89.527 bonds (distance) P-C4' energy: -113.498 flat angles C4'-P-C4' energy: -108.936 flat angles P-C4'-P energy: -59.836 tors. eta vs tors. theta energy: -127.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1352.610254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.610254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.610254 (E_RNA) where: Base-Base interactions energy: -870.883 where: short stacking energy: -402.486 Base-Backbone interact. energy: 1.530 local terms energy: -483.257120 where: bonds (distance) C4'-P energy: -93.822 bonds (distance) P-C4' energy: -122.749 flat angles C4'-P-C4' energy: -112.988 flat angles P-C4'-P energy: -72.813 tors. eta vs tors. theta energy: -80.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -869.039689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.039689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.039689 (E_RNA) where: Base-Base interactions energy: -487.046 where: short stacking energy: -263.713 Base-Backbone interact. energy: 6.153 local terms energy: -388.146282 where: bonds (distance) C4'-P energy: -96.492 bonds (distance) P-C4' energy: -118.489 flat angles C4'-P-C4' energy: -103.433 flat angles P-C4'-P energy: -41.095 tors. eta vs tors. theta energy: -28.637 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: 10, replica: 4 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -630.448664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.448664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.448664 (E_RNA) where: Base-Base interactions energy: -296.471 where: short stacking energy: -170.674 Base-Backbone interact. energy: -3.426 local terms energy: -330.551404 where: bonds (distance) C4'-P energy: -98.956 bonds (distance) P-C4' energy: -103.100 flat angles C4'-P-C4' energy: -78.719 flat angles P-C4'-P energy: -54.314 tors. eta vs tors. theta energy: 4.538 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: 2 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2199.909933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.909933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.909933 (E_RNA) where: Base-Base interactions energy: -1541.316 where: short stacking energy: -657.528 Base-Backbone interact. energy: -1.252 local terms energy: -657.342742 where: bonds (distance) C4'-P energy: -125.142 bonds (distance) P-C4' energy: -126.819 flat angles C4'-P-C4' energy: -134.344 flat angles P-C4'-P energy: -95.669 tors. eta vs tors. theta energy: -175.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2009.879835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.879835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.879835 (E_RNA) where: Base-Base interactions energy: -1403.070 where: short stacking energy: -595.762 Base-Backbone interact. energy: -3.043 local terms energy: -603.766952 where: bonds (distance) C4'-P energy: -117.286 bonds (distance) P-C4' energy: -105.836 flat angles C4'-P-C4' energy: -137.157 flat angles P-C4'-P energy: -94.744 tors. eta vs tors. theta energy: -148.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1972.715526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.715526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.715526 (E_RNA) where: Base-Base interactions energy: -1357.726 where: short stacking energy: -592.247 Base-Backbone interact. energy: 0.437 local terms energy: -615.426126 where: bonds (distance) C4'-P energy: -111.013 bonds (distance) P-C4' energy: -105.722 flat angles C4'-P-C4' energy: -134.783 flat angles P-C4'-P energy: -92.241 tors. eta vs tors. theta energy: -171.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1889.383783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.383783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.383783 (E_RNA) where: Base-Base interactions energy: -1273.357 where: short stacking energy: -550.246 Base-Backbone interact. energy: -3.502 local terms energy: -612.524362 where: bonds (distance) C4'-P energy: -114.785 bonds (distance) P-C4' energy: -125.546 flat angles C4'-P-C4' energy: -129.336 flat angles P-C4'-P energy: -96.846 tors. eta vs tors. theta energy: -146.012 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: 8 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1831.035616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.035616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.035616 (E_RNA) where: Base-Base interactions energy: -1278.077 where: short stacking energy: -529.974 Base-Backbone interact. energy: -2.133 local terms energy: -550.826538 where: bonds (distance) C4'-P energy: -112.542 bonds (distance) P-C4' energy: -100.684 flat angles C4'-P-C4' energy: -114.673 flat angles P-C4'-P energy: -85.427 tors. eta vs tors. theta energy: -137.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1786.640557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.640557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.640557 (E_RNA) where: Base-Base interactions energy: -1239.408 where: short stacking energy: -541.993 Base-Backbone interact. energy: -2.875 local terms energy: -544.357604 where: bonds (distance) C4'-P energy: -95.790 bonds (distance) P-C4' energy: -93.335 flat angles C4'-P-C4' energy: -117.838 flat angles P-C4'-P energy: -87.281 tors. eta vs tors. theta energy: -150.114 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: 7, replica: 6 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1495.504494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.504494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.504494 (E_RNA) where: Base-Base interactions energy: -992.809 where: short stacking energy: -460.724 Base-Backbone interact. energy: -1.834 local terms energy: -500.861617 where: bonds (distance) C4'-P energy: -89.353 bonds (distance) P-C4' energy: -108.086 flat angles C4'-P-C4' energy: -112.903 flat angles P-C4'-P energy: -68.625 tors. eta vs tors. theta energy: -121.894 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: 1 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1359.979241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.979241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.979241 (E_RNA) where: Base-Base interactions energy: -888.953 where: short stacking energy: -389.350 Base-Backbone interact. energy: -3.463 local terms energy: -467.563442 where: bonds (distance) C4'-P energy: -89.840 bonds (distance) P-C4' energy: -107.748 flat angles C4'-P-C4' energy: -100.341 flat angles P-C4'-P energy: -75.233 tors. eta vs tors. theta energy: -94.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -820.757009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.757009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.757009 (E_RNA) where: Base-Base interactions energy: -479.368 where: short stacking energy: -238.972 Base-Backbone interact. energy: -0.259 local terms energy: -341.130227 where: bonds (distance) C4'-P energy: -86.771 bonds (distance) P-C4' energy: -111.411 flat angles C4'-P-C4' energy: -87.671 flat angles P-C4'-P energy: -46.118 tors. eta vs tors. theta energy: -9.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -596.182285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.182285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.182285 (E_RNA) where: Base-Base interactions energy: -262.820 where: short stacking energy: -171.125 Base-Backbone interact. energy: -0.916 local terms energy: -332.446057 where: bonds (distance) C4'-P energy: -96.182 bonds (distance) P-C4' energy: -110.017 flat angles C4'-P-C4' energy: -67.789 flat angles P-C4'-P energy: -62.827 tors. eta vs tors. theta energy: 4.369 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: 2 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2180.975939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.975939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.975939 (E_RNA) where: Base-Base interactions energy: -1534.661 where: short stacking energy: -661.456 Base-Backbone interact. energy: 1.546 local terms energy: -647.860868 where: bonds (distance) C4'-P energy: -118.897 bonds (distance) P-C4' energy: -109.593 flat angles C4'-P-C4' energy: -143.832 flat angles P-C4'-P energy: -96.591 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: 2, replica: 7 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2022.801316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.801316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.801316 (E_RNA) where: Base-Base interactions energy: -1389.476 where: short stacking energy: -610.636 Base-Backbone interact. energy: -1.599 local terms energy: -631.726878 where: bonds (distance) C4'-P energy: -118.958 bonds (distance) P-C4' energy: -115.668 flat angles C4'-P-C4' energy: -138.298 flat angles P-C4'-P energy: -88.240 tors. eta vs tors. theta energy: -170.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1994.847949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.847949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.847949 (E_RNA) where: Base-Base interactions energy: -1391.382 where: short stacking energy: -578.304 Base-Backbone interact. energy: -0.522 local terms energy: -602.944051 where: bonds (distance) C4'-P energy: -117.618 bonds (distance) P-C4' energy: -115.170 flat angles C4'-P-C4' energy: -127.553 flat angles P-C4'-P energy: -90.438 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: 4, replica: 3 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1854.063144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.063144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.063144 (E_RNA) where: Base-Base interactions energy: -1260.897 where: short stacking energy: -537.717 Base-Backbone interact. energy: -0.772 local terms energy: -592.394574 where: bonds (distance) C4'-P energy: -123.238 bonds (distance) P-C4' energy: -116.426 flat angles C4'-P-C4' energy: -124.904 flat angles P-C4'-P energy: -90.036 tors. eta vs tors. theta energy: -137.792 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: 8 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1756.513515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.513515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.513515 (E_RNA) where: Base-Base interactions energy: -1179.284 where: short stacking energy: -521.399 Base-Backbone interact. energy: -3.046 local terms energy: -574.183210 where: bonds (distance) C4'-P energy: -121.260 bonds (distance) P-C4' energy: -112.616 flat angles C4'-P-C4' energy: -121.508 flat angles P-C4'-P energy: -80.628 tors. eta vs tors. theta energy: -138.171 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: 10 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1768.422808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.422808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.422808 (E_RNA) where: Base-Base interactions energy: -1191.955 where: short stacking energy: -545.671 Base-Backbone interact. energy: -2.879 local terms energy: -573.589252 where: bonds (distance) C4'-P energy: -98.933 bonds (distance) P-C4' energy: -116.197 flat angles C4'-P-C4' energy: -129.447 flat angles P-C4'-P energy: -74.618 tors. eta vs tors. theta energy: -154.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1465.893288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.893288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.893288 (E_RNA) where: Base-Base interactions energy: -973.565 where: short stacking energy: -444.844 Base-Backbone interact. energy: -0.837 local terms energy: -491.491122 where: bonds (distance) C4'-P energy: -104.464 bonds (distance) P-C4' energy: -118.968 flat angles C4'-P-C4' energy: -96.276 flat angles P-C4'-P energy: -62.922 tors. eta vs tors. theta energy: -108.862 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: 1 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1390.529299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.529299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.529299 (E_RNA) where: Base-Base interactions energy: -932.424 where: short stacking energy: -443.351 Base-Backbone interact. energy: -0.537 local terms energy: -457.567954 where: bonds (distance) C4'-P energy: -107.418 bonds (distance) P-C4' energy: -100.706 flat angles C4'-P-C4' energy: -92.039 flat angles P-C4'-P energy: -58.003 tors. eta vs tors. theta energy: -99.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -806.220128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.220128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.220128 (E_RNA) where: Base-Base interactions energy: -444.433 where: short stacking energy: -221.078 Base-Backbone interact. energy: 5.540 local terms energy: -367.327241 where: bonds (distance) C4'-P energy: -94.171 bonds (distance) P-C4' energy: -98.562 flat angles C4'-P-C4' energy: -104.586 flat angles P-C4'-P energy: -68.175 tors. eta vs tors. theta energy: -1.833 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: 4 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -542.830885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.830885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.830885 (E_RNA) where: Base-Base interactions energy: -235.548 where: short stacking energy: -166.278 Base-Backbone interact. energy: -3.134 local terms energy: -304.149820 where: bonds (distance) C4'-P energy: -87.751 bonds (distance) P-C4' energy: -101.872 flat angles C4'-P-C4' energy: -79.166 flat angles P-C4'-P energy: -48.120 tors. eta vs tors. theta energy: 12.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2163.320977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.320977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.320977 (E_RNA) where: Base-Base interactions energy: -1534.911 where: short stacking energy: -630.151 Base-Backbone interact. energy: -1.492 local terms energy: -626.918251 where: bonds (distance) C4'-P energy: -96.677 bonds (distance) P-C4' energy: -133.604 flat angles C4'-P-C4' energy: -132.370 flat angles P-C4'-P energy: -85.648 tors. eta vs tors. theta energy: -178.619 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: 7 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2061.956075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.956075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.956075 (E_RNA) where: Base-Base interactions energy: -1434.227 where: short stacking energy: -608.695 Base-Backbone interact. energy: -1.470 local terms energy: -626.259068 where: bonds (distance) C4'-P energy: -115.947 bonds (distance) P-C4' energy: -125.819 flat angles C4'-P-C4' energy: -129.354 flat angles P-C4'-P energy: -84.900 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: 3, replica: 5 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2005.637115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.637115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.637115 (E_RNA) where: Base-Base interactions energy: -1373.632 where: short stacking energy: -576.695 Base-Backbone interact. energy: -5.219 local terms energy: -626.786046 where: bonds (distance) C4'-P energy: -121.047 bonds (distance) P-C4' energy: -134.277 flat angles C4'-P-C4' energy: -129.804 flat angles P-C4'-P energy: -94.518 tors. eta vs tors. theta energy: -147.141 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: 4, replica: 3 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1888.411319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.411319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.411319 (E_RNA) where: Base-Base interactions energy: -1294.684 where: short stacking energy: -538.878 Base-Backbone interact. energy: 2.818 local terms energy: -596.545780 where: bonds (distance) C4'-P energy: -120.080 bonds (distance) P-C4' energy: -121.322 flat angles C4'-P-C4' energy: -127.699 flat angles P-C4'-P energy: -89.568 tors. eta vs tors. theta energy: -137.876 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: 5, replica: 8 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1801.512548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.512548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.512548 (E_RNA) where: Base-Base interactions energy: -1203.854 where: short stacking energy: -518.876 Base-Backbone interact. energy: 1.659 local terms energy: -599.318281 where: bonds (distance) C4'-P energy: -112.097 bonds (distance) P-C4' energy: -115.448 flat angles C4'-P-C4' energy: -131.722 flat angles P-C4'-P energy: -87.572 tors. eta vs tors. theta energy: -152.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1770.154820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.154820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.154820 (E_RNA) where: Base-Base interactions energy: -1215.972 where: short stacking energy: -546.252 Base-Backbone interact. energy: -2.842 local terms energy: -551.341060 where: bonds (distance) C4'-P energy: -91.331 bonds (distance) P-C4' energy: -105.369 flat angles C4'-P-C4' energy: -119.028 flat angles P-C4'-P energy: -81.851 tors. eta vs tors. theta energy: -153.762 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: 6 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1443.957262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.957262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.957262 (E_RNA) where: Base-Base interactions energy: -924.858 where: short stacking energy: -425.141 Base-Backbone interact. energy: -3.702 local terms energy: -515.397698 where: bonds (distance) C4'-P energy: -110.994 bonds (distance) P-C4' energy: -111.421 flat angles C4'-P-C4' energy: -109.259 flat angles P-C4'-P energy: -85.522 tors. eta vs tors. theta energy: -98.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1340.461551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.461551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.461551 (E_RNA) where: Base-Base interactions energy: -888.687 where: short stacking energy: -394.000 Base-Backbone interact. energy: 0.929 local terms energy: -452.703041 where: bonds (distance) C4'-P energy: -94.581 bonds (distance) P-C4' energy: -101.208 flat angles C4'-P-C4' energy: -109.082 flat angles P-C4'-P energy: -60.831 tors. eta vs tors. theta energy: -87.000 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: 9 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -849.795483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.795483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.795483 (E_RNA) where: Base-Base interactions energy: -468.490 where: short stacking energy: -234.513 Base-Backbone interact. energy: -2.450 local terms energy: -378.855911 where: bonds (distance) C4'-P energy: -109.035 bonds (distance) P-C4' energy: -108.917 flat angles C4'-P-C4' energy: -90.844 flat angles P-C4'-P energy: -46.547 tors. eta vs tors. theta energy: -23.513 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: 4 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -551.682897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.682897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.682897 (E_RNA) where: Base-Base interactions energy: -254.903 where: short stacking energy: -170.749 Base-Backbone interact. energy: 0.006 local terms energy: -296.785664 where: bonds (distance) C4'-P energy: -101.192 bonds (distance) P-C4' energy: -98.931 flat angles C4'-P-C4' energy: -75.147 flat angles P-C4'-P energy: -44.704 tors. eta vs tors. theta energy: 23.189 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: 1, replica: 2 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2172.071512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.071512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.071512 (E_RNA) where: Base-Base interactions energy: -1510.922 where: short stacking energy: -644.429 Base-Backbone interact. energy: -2.769 local terms energy: -658.380845 where: bonds (distance) C4'-P energy: -125.725 bonds (distance) P-C4' energy: -126.504 flat angles C4'-P-C4' energy: -134.609 flat angles P-C4'-P energy: -89.647 tors. eta vs tors. theta energy: -181.896 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: 2, replica: 5 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2061.730834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.730834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.730834 (E_RNA) where: Base-Base interactions energy: -1432.412 where: short stacking energy: -609.011 Base-Backbone interact. energy: -0.843 local terms energy: -628.475519 where: bonds (distance) C4'-P energy: -130.981 bonds (distance) P-C4' energy: -108.687 flat angles C4'-P-C4' energy: -129.670 flat angles P-C4'-P energy: -100.315 tors. eta vs tors. theta energy: -158.822 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: 7 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1988.202606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.202606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.202606 (E_RNA) where: Base-Base interactions energy: -1362.403 where: short stacking energy: -577.165 Base-Backbone interact. energy: -2.444 local terms energy: -623.355650 where: bonds (distance) C4'-P energy: -117.169 bonds (distance) P-C4' energy: -120.530 flat angles C4'-P-C4' energy: -139.411 flat angles P-C4'-P energy: -90.650 tors. eta vs tors. theta energy: -155.596 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: 4, replica: 3 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1942.427977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.427977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.427977 (E_RNA) where: Base-Base interactions energy: -1387.131 where: short stacking energy: -586.229 Base-Backbone interact. energy: -0.023 local terms energy: -555.273490 where: bonds (distance) C4'-P energy: -82.264 bonds (distance) P-C4' energy: -106.980 flat angles C4'-P-C4' energy: -119.711 flat angles P-C4'-P energy: -75.662 tors. eta vs tors. theta energy: -170.656 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: 8 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1820.214226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.214226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.214226 (E_RNA) where: Base-Base interactions energy: -1272.811 where: short stacking energy: -578.378 Base-Backbone interact. energy: -1.275 local terms energy: -546.128825 where: bonds (distance) C4'-P energy: -89.442 bonds (distance) P-C4' energy: -109.329 flat angles C4'-P-C4' energy: -123.370 flat angles P-C4'-P energy: -64.764 tors. eta vs tors. theta energy: -159.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1764.189655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.189655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.189655 (E_RNA) where: Base-Base interactions energy: -1207.655 where: short stacking energy: -502.556 Base-Backbone interact. energy: -1.806 local terms energy: -554.728799 where: bonds (distance) C4'-P energy: -106.811 bonds (distance) P-C4' energy: -96.634 flat angles C4'-P-C4' energy: -118.218 flat angles P-C4'-P energy: -83.173 tors. eta vs tors. theta energy: -149.892 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: 6 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1527.834293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.834293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.834293 (E_RNA) where: Base-Base interactions energy: -995.031 where: short stacking energy: -451.473 Base-Backbone interact. energy: -1.515 local terms energy: -531.288380 where: bonds (distance) C4'-P energy: -105.571 bonds (distance) P-C4' energy: -107.234 flat angles C4'-P-C4' energy: -120.270 flat angles P-C4'-P energy: -63.900 tors. eta vs tors. theta energy: -134.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1341.925420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.925420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.925420 (E_RNA) where: Base-Base interactions energy: -896.781 where: short stacking energy: -382.941 Base-Backbone interact. energy: -2.221 local terms energy: -442.923496 where: bonds (distance) C4'-P energy: -85.796 bonds (distance) P-C4' energy: -104.191 flat angles C4'-P-C4' energy: -102.685 flat angles P-C4'-P energy: -63.200 tors. eta vs tors. theta energy: -87.051 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: 257 Temperature: 1.300000 Total energy: -846.862760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.862760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.862760 (E_RNA) where: Base-Base interactions energy: -500.363 where: short stacking energy: -259.663 Base-Backbone interact. energy: 4.996 local terms energy: -351.496212 where: bonds (distance) C4'-P energy: -95.161 bonds (distance) P-C4' energy: -98.511 flat angles C4'-P-C4' energy: -99.966 flat angles P-C4'-P energy: -53.818 tors. eta vs tors. theta energy: -4.040 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: 10, replica: 4 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -617.844232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.844232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.844232 (E_RNA) where: Base-Base interactions energy: -291.498 where: short stacking energy: -191.164 Base-Backbone interact. energy: -2.194 local terms energy: -324.151515 where: bonds (distance) C4'-P energy: -80.435 bonds (distance) P-C4' energy: -101.211 flat angles C4'-P-C4' energy: -93.148 flat angles P-C4'-P energy: -47.634 tors. eta vs tors. theta energy: -1.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2177.303342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.303342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.303342 (E_RNA) where: Base-Base interactions energy: -1505.575 where: short stacking energy: -635.064 Base-Backbone interact. energy: -2.410 local terms energy: -669.318236 where: bonds (distance) C4'-P energy: -122.588 bonds (distance) P-C4' energy: -130.327 flat angles C4'-P-C4' energy: -145.464 flat angles P-C4'-P energy: -93.358 tors. eta vs tors. theta energy: -177.581 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: 2, replica: 5 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2047.538846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.538846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.538846 (E_RNA) where: Base-Base interactions energy: -1424.260 where: short stacking energy: -595.797 Base-Backbone interact. energy: -3.429 local terms energy: -619.849485 where: bonds (distance) C4'-P energy: -115.802 bonds (distance) P-C4' energy: -131.137 flat angles C4'-P-C4' energy: -140.025 flat angles P-C4'-P energy: -83.253 tors. eta vs tors. theta energy: -149.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1945.453332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.453332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.453332 (E_RNA) where: Base-Base interactions energy: -1319.012 where: short stacking energy: -561.292 Base-Backbone interact. energy: -2.901 local terms energy: -623.539903 where: bonds (distance) C4'-P energy: -119.868 bonds (distance) P-C4' energy: -112.903 flat angles C4'-P-C4' energy: -142.556 flat angles P-C4'-P energy: -89.734 tors. eta vs tors. theta energy: -158.478 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: 4, replica: 3 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1947.801289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.801289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.801289 (E_RNA) where: Base-Base interactions energy: -1350.993 where: short stacking energy: -588.807 Base-Backbone interact. energy: -3.573 local terms energy: -593.235424 where: bonds (distance) C4'-P energy: -102.297 bonds (distance) P-C4' energy: -117.774 flat angles C4'-P-C4' energy: -131.376 flat angles P-C4'-P energy: -95.077 tors. eta vs tors. theta energy: -146.711 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: 5, replica: 8 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1829.568404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.568404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.568404 (E_RNA) where: Base-Base interactions energy: -1258.463 where: short stacking energy: -564.360 Base-Backbone interact. energy: -0.848 local terms energy: -570.257426 where: bonds (distance) C4'-P energy: -106.180 bonds (distance) P-C4' energy: -120.010 flat angles C4'-P-C4' energy: -111.580 flat angles P-C4'-P energy: -68.941 tors. eta vs tors. theta energy: -163.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1765.912840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.912840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.912840 (E_RNA) where: Base-Base interactions energy: -1165.771 where: short stacking energy: -517.134 Base-Backbone interact. energy: 0.310 local terms energy: -600.451552 where: bonds (distance) C4'-P energy: -106.506 bonds (distance) P-C4' energy: -107.600 flat angles C4'-P-C4' energy: -135.638 flat angles P-C4'-P energy: -87.216 tors. eta vs tors. theta energy: -163.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1544.319019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.319019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.319019 (E_RNA) where: Base-Base interactions energy: -1044.839 where: short stacking energy: -479.636 Base-Backbone interact. energy: -0.465 local terms energy: -499.014689 where: bonds (distance) C4'-P energy: -100.811 bonds (distance) P-C4' energy: -86.829 flat angles C4'-P-C4' energy: -122.133 flat angles P-C4'-P energy: -57.098 tors. eta vs tors. theta energy: -132.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1395.511496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.511496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.511496 (E_RNA) where: Base-Base interactions energy: -918.871 where: short stacking energy: -429.580 Base-Backbone interact. energy: -2.421 local terms energy: -474.219486 where: bonds (distance) C4'-P energy: -101.335 bonds (distance) P-C4' energy: -89.102 flat angles C4'-P-C4' energy: -103.770 flat angles P-C4'-P energy: -66.051 tors. eta vs tors. theta energy: -113.962 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: 258 Temperature: 1.300000 Total energy: -851.971043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.971043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.971043 (E_RNA) where: Base-Base interactions energy: -485.397 where: short stacking energy: -240.832 Base-Backbone interact. energy: 2.880 local terms energy: -369.454038 where: bonds (distance) C4'-P energy: -95.415 bonds (distance) P-C4' energy: -108.922 flat angles C4'-P-C4' energy: -84.817 flat angles P-C4'-P energy: -59.663 tors. eta vs tors. theta energy: -20.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -580.974780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.974780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.974780 (E_RNA) where: Base-Base interactions energy: -269.682 where: short stacking energy: -194.610 Base-Backbone interact. energy: -0.709 local terms energy: -310.583457 where: bonds (distance) C4'-P energy: -86.896 bonds (distance) P-C4' energy: -99.213 flat angles C4'-P-C4' energy: -83.838 flat angles P-C4'-P energy: -41.809 tors. eta vs tors. theta energy: 1.173 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: 1, replica: 2 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2190.571973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.571973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.571973 (E_RNA) where: Base-Base interactions energy: -1530.649 where: short stacking energy: -657.346 Base-Backbone interact. energy: -1.998 local terms energy: -657.924843 where: bonds (distance) C4'-P energy: -123.342 bonds (distance) P-C4' energy: -129.125 flat angles C4'-P-C4' energy: -141.153 flat angles P-C4'-P energy: -84.030 tors. eta vs tors. theta energy: -180.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2027.488727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.488727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.488727 (E_RNA) where: Base-Base interactions energy: -1429.600 where: short stacking energy: -573.114 Base-Backbone interact. energy: -3.812 local terms energy: -594.076810 where: bonds (distance) C4'-P energy: -111.661 bonds (distance) P-C4' energy: -104.141 flat angles C4'-P-C4' energy: -143.554 flat angles P-C4'-P energy: -80.164 tors. eta vs tors. theta energy: -154.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1971.163402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.163402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.163402 (E_RNA) where: Base-Base interactions energy: -1352.708 where: short stacking energy: -576.102 Base-Backbone interact. energy: -4.194 local terms energy: -614.261445 where: bonds (distance) C4'-P energy: -115.482 bonds (distance) P-C4' energy: -128.508 flat angles C4'-P-C4' energy: -123.000 flat angles P-C4'-P energy: -86.281 tors. eta vs tors. theta energy: -160.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1918.152483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.152483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.152483 (E_RNA) where: Base-Base interactions energy: -1350.876 where: short stacking energy: -553.121 Base-Backbone interact. energy: -1.315 local terms energy: -565.960633 where: bonds (distance) C4'-P energy: -113.533 bonds (distance) P-C4' energy: -106.146 flat angles C4'-P-C4' energy: -127.899 flat angles P-C4'-P energy: -80.364 tors. eta vs tors. theta energy: -138.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1848.857787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.857787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.857787 (E_RNA) where: Base-Base interactions energy: -1258.051 where: short stacking energy: -527.908 Base-Backbone interact. energy: -0.094 local terms energy: -590.712778 where: bonds (distance) C4'-P energy: -117.660 bonds (distance) P-C4' energy: -117.128 flat angles C4'-P-C4' energy: -128.377 flat angles P-C4'-P energy: -80.886 tors. eta vs tors. theta energy: -146.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1765.118737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.118737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.118737 (E_RNA) where: Base-Base interactions energy: -1207.013 where: short stacking energy: -497.853 Base-Backbone interact. energy: -2.546 local terms energy: -555.559488 where: bonds (distance) C4'-P energy: -113.940 bonds (distance) P-C4' energy: -103.385 flat angles C4'-P-C4' energy: -127.431 flat angles P-C4'-P energy: -72.056 tors. eta vs tors. theta energy: -138.747 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: 7, replica: 6 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1543.496054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.496054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.496054 (E_RNA) where: Base-Base interactions energy: -1032.976 where: short stacking energy: -468.376 Base-Backbone interact. energy: -1.078 local terms energy: -509.441528 where: bonds (distance) C4'-P energy: -98.184 bonds (distance) P-C4' energy: -105.752 flat angles C4'-P-C4' energy: -114.375 flat angles P-C4'-P energy: -70.950 tors. eta vs tors. theta energy: -120.181 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: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1354.372898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.372898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.372898 (E_RNA) where: Base-Base interactions energy: -874.944 where: short stacking energy: -403.284 Base-Backbone interact. energy: -2.270 local terms energy: -477.158273 where: bonds (distance) C4'-P energy: -93.688 bonds (distance) P-C4' energy: -103.436 flat angles C4'-P-C4' energy: -112.529 flat angles P-C4'-P energy: -74.223 tors. eta vs tors. theta energy: -93.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -915.684247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.684247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.684247 (E_RNA) where: Base-Base interactions energy: -529.086 where: short stacking energy: -270.242 Base-Backbone interact. energy: -2.997 local terms energy: -383.600528 where: bonds (distance) C4'-P energy: -91.954 bonds (distance) P-C4' energy: -103.029 flat angles C4'-P-C4' energy: -90.246 flat angles P-C4'-P energy: -62.481 tors. eta vs tors. theta energy: -35.891 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: 10, replica: 4 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -602.220754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.220754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.220754 (E_RNA) where: Base-Base interactions energy: -242.034 where: short stacking energy: -135.595 Base-Backbone interact. energy: 1.027 local terms energy: -361.213780 where: bonds (distance) C4'-P energy: -107.074 bonds (distance) P-C4' energy: -106.843 flat angles C4'-P-C4' energy: -97.520 flat angles P-C4'-P energy: -54.583 tors. eta vs tors. theta energy: 4.807 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: 260 Temperature: 0.900000 Total energy: -2157.688718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.688718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.688718 (E_RNA) where: Base-Base interactions energy: -1527.531 where: short stacking energy: -663.782 Base-Backbone interact. energy: 2.959 local terms energy: -633.116392 where: bonds (distance) C4'-P energy: -117.552 bonds (distance) P-C4' energy: -102.719 flat angles C4'-P-C4' energy: -141.904 flat angles P-C4'-P energy: -90.749 tors. eta vs tors. theta energy: -180.193 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: 5 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2029.699837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.699837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.699837 (E_RNA) where: Base-Base interactions energy: -1426.249 where: short stacking energy: -602.094 Base-Backbone interact. energy: -4.741 local terms energy: -598.710007 where: bonds (distance) C4'-P energy: -105.080 bonds (distance) P-C4' energy: -115.351 flat angles C4'-P-C4' energy: -135.596 flat angles P-C4'-P energy: -83.512 tors. eta vs tors. theta energy: -159.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1951.826659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.826659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.826659 (E_RNA) where: Base-Base interactions energy: -1354.617 where: short stacking energy: -575.864 Base-Backbone interact. energy: -2.138 local terms energy: -595.071594 where: bonds (distance) C4'-P energy: -108.464 bonds (distance) P-C4' energy: -118.990 flat angles C4'-P-C4' energy: -126.236 flat angles P-C4'-P energy: -90.888 tors. eta vs tors. theta energy: -150.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1902.549833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.549833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.549833 (E_RNA) where: Base-Base interactions energy: -1311.360 where: short stacking energy: -570.318 Base-Backbone interact. energy: -2.499 local terms energy: -588.691079 where: bonds (distance) C4'-P energy: -116.581 bonds (distance) P-C4' energy: -103.480 flat angles C4'-P-C4' energy: -134.800 flat angles P-C4'-P energy: -87.134 tors. eta vs tors. theta energy: -146.696 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: 5, replica: 8 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1823.687266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.687266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.687266 (E_RNA) where: Base-Base interactions energy: -1247.126 where: short stacking energy: -550.943 Base-Backbone interact. energy: -0.913 local terms energy: -575.648613 where: bonds (distance) C4'-P energy: -111.518 bonds (distance) P-C4' energy: -107.689 flat angles C4'-P-C4' energy: -133.626 flat angles P-C4'-P energy: -70.744 tors. eta vs tors. theta energy: -152.072 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: 10 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1765.919072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.919072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.919072 (E_RNA) where: Base-Base interactions energy: -1240.736 where: short stacking energy: -517.852 Base-Backbone interact. energy: -4.466 local terms energy: -520.716495 where: bonds (distance) C4'-P energy: -107.575 bonds (distance) P-C4' energy: -101.903 flat angles C4'-P-C4' energy: -114.283 flat angles P-C4'-P energy: -76.266 tors. eta vs tors. theta energy: -120.689 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: 6 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1551.031976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.031976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.031976 (E_RNA) where: Base-Base interactions energy: -1039.285 where: short stacking energy: -499.232 Base-Backbone interact. energy: -0.364 local terms energy: -511.382146 where: bonds (distance) C4'-P energy: -87.396 bonds (distance) P-C4' energy: -118.888 flat angles C4'-P-C4' energy: -109.082 flat angles P-C4'-P energy: -64.841 tors. eta vs tors. theta energy: -131.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1360.994526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.994526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.994526 (E_RNA) where: Base-Base interactions energy: -888.535 where: short stacking energy: -422.971 Base-Backbone interact. energy: 6.642 local terms energy: -479.101417 where: bonds (distance) C4'-P energy: -106.105 bonds (distance) P-C4' energy: -105.231 flat angles C4'-P-C4' energy: -95.652 flat angles P-C4'-P energy: -63.713 tors. eta vs tors. theta energy: -108.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -836.270744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.270744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.270744 (E_RNA) where: Base-Base interactions energy: -470.280 where: short stacking energy: -254.980 Base-Backbone interact. energy: 3.437 local terms energy: -369.427096 where: bonds (distance) C4'-P energy: -94.808 bonds (distance) P-C4' energy: -103.963 flat angles C4'-P-C4' energy: -96.914 flat angles P-C4'-P energy: -51.268 tors. eta vs tors. theta energy: -22.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -585.373875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.373875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.373875 (E_RNA) where: Base-Base interactions energy: -248.995 where: short stacking energy: -167.017 Base-Backbone interact. energy: -1.253 local terms energy: -335.125431 where: bonds (distance) C4'-P energy: -91.630 bonds (distance) P-C4' energy: -79.792 flat angles C4'-P-C4' energy: -96.450 flat angles P-C4'-P energy: -67.103 tors. eta vs tors. theta energy: -0.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2196.528371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.528371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.528371 (E_RNA) where: Base-Base interactions energy: -1545.028 where: short stacking energy: -676.745 Base-Backbone interact. energy: 4.462 local terms energy: -655.962824 where: bonds (distance) C4'-P energy: -124.619 bonds (distance) P-C4' energy: -127.029 flat angles C4'-P-C4' energy: -139.992 flat angles P-C4'-P energy: -82.361 tors. eta vs tors. theta energy: -181.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2046.699038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.699038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.699038 (E_RNA) where: Base-Base interactions energy: -1449.294 where: short stacking energy: -605.123 Base-Backbone interact. energy: -0.974 local terms energy: -596.431065 where: bonds (distance) C4'-P energy: -115.512 bonds (distance) P-C4' energy: -110.654 flat angles C4'-P-C4' energy: -132.988 flat angles P-C4'-P energy: -80.408 tors. eta vs tors. theta energy: -156.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1959.727201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.727201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.727201 (E_RNA) where: Base-Base interactions energy: -1362.726 where: short stacking energy: -551.827 Base-Backbone interact. energy: -3.364 local terms energy: -593.637202 where: bonds (distance) C4'-P energy: -118.358 bonds (distance) P-C4' energy: -105.966 flat angles C4'-P-C4' energy: -127.907 flat angles P-C4'-P energy: -81.824 tors. eta vs tors. theta energy: -159.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1915.250862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.250862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.250862 (E_RNA) where: Base-Base interactions energy: -1313.831 where: short stacking energy: -562.737 Base-Backbone interact. energy: -2.656 local terms energy: -598.764058 where: bonds (distance) C4'-P energy: -110.297 bonds (distance) P-C4' energy: -119.555 flat angles C4'-P-C4' energy: -128.550 flat angles P-C4'-P energy: -89.150 tors. eta vs tors. theta energy: -151.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1809.578343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.578343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.578343 (E_RNA) where: Base-Base interactions energy: -1237.081 where: short stacking energy: -507.239 Base-Backbone interact. energy: -1.807 local terms energy: -570.690475 where: bonds (distance) C4'-P energy: -102.572 bonds (distance) P-C4' energy: -103.960 flat angles C4'-P-C4' energy: -137.158 flat angles P-C4'-P energy: -94.120 tors. eta vs tors. theta energy: -132.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1775.050491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.050491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.050491 (E_RNA) where: Base-Base interactions energy: -1224.776 where: short stacking energy: -498.965 Base-Backbone interact. energy: -2.096 local terms energy: -548.178184 where: bonds (distance) C4'-P energy: -103.697 bonds (distance) P-C4' energy: -99.251 flat angles C4'-P-C4' energy: -125.476 flat angles P-C4'-P energy: -73.953 tors. eta vs tors. theta energy: -145.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1578.759101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.759101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.759101 (E_RNA) where: Base-Base interactions energy: -1054.287 where: short stacking energy: -469.651 Base-Backbone interact. energy: -2.260 local terms energy: -522.211887 where: bonds (distance) C4'-P energy: -94.363 bonds (distance) P-C4' energy: -100.634 flat angles C4'-P-C4' energy: -112.437 flat angles P-C4'-P energy: -91.161 tors. eta vs tors. theta energy: -123.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1349.113145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.113145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.113145 (E_RNA) where: Base-Base interactions energy: -884.186 where: short stacking energy: -400.051 Base-Backbone interact. energy: -1.149 local terms energy: -463.778291 where: bonds (distance) C4'-P energy: -77.765 bonds (distance) P-C4' energy: -101.618 flat angles C4'-P-C4' energy: -95.315 flat angles P-C4'-P energy: -88.150 tors. eta vs tors. theta energy: -100.930 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: 261 Temperature: 1.300000 Total energy: -886.638822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.638822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.638822 (E_RNA) where: Base-Base interactions energy: -522.268 where: short stacking energy: -277.566 Base-Backbone interact. energy: 3.233 local terms energy: -367.604008 where: bonds (distance) C4'-P energy: -89.989 bonds (distance) P-C4' energy: -96.599 flat angles C4'-P-C4' energy: -103.908 flat angles P-C4'-P energy: -48.086 tors. eta vs tors. theta energy: -29.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -644.688368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.688368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.688368 (E_RNA) where: Base-Base interactions energy: -329.047 where: short stacking energy: -188.561 Base-Backbone interact. energy: -0.347 local terms energy: -315.294856 where: bonds (distance) C4'-P energy: -87.800 bonds (distance) P-C4' energy: -100.230 flat angles C4'-P-C4' energy: -78.830 flat angles P-C4'-P energy: -45.250 tors. eta vs tors. theta energy: -3.184 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: 2 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2197.789071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.789071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.789071 (E_RNA) where: Base-Base interactions energy: -1538.907 where: short stacking energy: -666.514 Base-Backbone interact. energy: 5.424 local terms energy: -664.305924 where: bonds (distance) C4'-P energy: -125.713 bonds (distance) P-C4' energy: -130.241 flat angles C4'-P-C4' energy: -135.873 flat angles P-C4'-P energy: -82.039 tors. eta vs tors. theta energy: -190.439 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: 5 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2063.687900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.687900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.687900 (E_RNA) where: Base-Base interactions energy: -1445.328 where: short stacking energy: -606.483 Base-Backbone interact. energy: -4.511 local terms energy: -613.849386 where: bonds (distance) C4'-P energy: -110.133 bonds (distance) P-C4' energy: -112.100 flat angles C4'-P-C4' energy: -138.661 flat angles P-C4'-P energy: -88.099 tors. eta vs tors. theta energy: -164.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1963.845198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.845198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.845198 (E_RNA) where: Base-Base interactions energy: -1357.698 where: short stacking energy: -587.400 Base-Backbone interact. energy: -1.099 local terms energy: -605.048209 where: bonds (distance) C4'-P energy: -94.667 bonds (distance) P-C4' energy: -119.923 flat angles C4'-P-C4' energy: -141.560 flat angles P-C4'-P energy: -83.653 tors. eta vs tors. theta energy: -165.245 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: 7 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1928.574785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.574785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.574785 (E_RNA) where: Base-Base interactions energy: -1350.455 where: short stacking energy: -572.222 Base-Backbone interact. energy: -2.406 local terms energy: -575.713383 where: bonds (distance) C4'-P energy: -100.433 bonds (distance) P-C4' energy: -109.346 flat angles C4'-P-C4' energy: -121.237 flat angles P-C4'-P energy: -78.957 tors. eta vs tors. theta energy: -165.741 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: 5, replica: 8 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1824.857486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.857486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.857486 (E_RNA) where: Base-Base interactions energy: -1253.663 where: short stacking energy: -549.020 Base-Backbone interact. energy: -3.674 local terms energy: -567.520244 where: bonds (distance) C4'-P energy: -90.313 bonds (distance) P-C4' energy: -106.557 flat angles C4'-P-C4' energy: -126.046 flat angles P-C4'-P energy: -86.638 tors. eta vs tors. theta energy: -157.966 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: 10 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1769.184977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.184977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.184977 (E_RNA) where: Base-Base interactions energy: -1216.941 where: short stacking energy: -536.783 Base-Backbone interact. energy: -1.033 local terms energy: -551.211373 where: bonds (distance) C4'-P energy: -112.062 bonds (distance) P-C4' energy: -103.448 flat angles C4'-P-C4' energy: -106.813 flat angles P-C4'-P energy: -77.655 tors. eta vs tors. theta energy: -151.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1557.024723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.024723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.024723 (E_RNA) where: Base-Base interactions energy: -1034.608 where: short stacking energy: -492.867 Base-Backbone interact. energy: -4.128 local terms energy: -518.289510 where: bonds (distance) C4'-P energy: -95.751 bonds (distance) P-C4' energy: -120.642 flat angles C4'-P-C4' energy: -121.975 flat angles P-C4'-P energy: -62.442 tors. eta vs tors. theta energy: -117.479 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: 1 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1389.359958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.359958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.359958 (E_RNA) where: Base-Base interactions energy: -917.639 where: short stacking energy: -436.121 Base-Backbone interact. energy: -2.204 local terms energy: -469.516840 where: bonds (distance) C4'-P energy: -93.967 bonds (distance) P-C4' energy: -101.809 flat angles C4'-P-C4' energy: -112.121 flat angles P-C4'-P energy: -65.701 tors. eta vs tors. theta energy: -95.919 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: 9, replica: 9 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -872.133270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.133270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.133270 (E_RNA) where: Base-Base interactions energy: -491.642 where: short stacking energy: -227.707 Base-Backbone interact. energy: 6.929 local terms energy: -387.420626 where: bonds (distance) C4'-P energy: -116.023 bonds (distance) P-C4' energy: -94.868 flat angles C4'-P-C4' energy: -88.534 flat angles P-C4'-P energy: -62.417 tors. eta vs tors. theta energy: -25.577 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: 10, replica: 4 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -589.193077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.193077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.193077 (E_RNA) where: Base-Base interactions energy: -278.670 where: short stacking energy: -177.024 Base-Backbone interact. energy: 5.026 local terms energy: -315.548983 where: bonds (distance) C4'-P energy: -103.675 bonds (distance) P-C4' energy: -103.813 flat angles C4'-P-C4' energy: -78.780 flat angles P-C4'-P energy: -41.919 tors. eta vs tors. theta energy: 12.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2193.104762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.104762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.104762 (E_RNA) where: Base-Base interactions energy: -1525.292 where: short stacking energy: -656.644 Base-Backbone interact. energy: 3.888 local terms energy: -671.700609 where: bonds (distance) C4'-P energy: -123.303 bonds (distance) P-C4' energy: -123.951 flat angles C4'-P-C4' energy: -145.181 flat angles P-C4'-P energy: -92.162 tors. eta vs tors. theta energy: -187.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2055.454531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.454531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.454531 (E_RNA) where: Base-Base interactions energy: -1420.623 where: short stacking energy: -612.529 Base-Backbone interact. energy: -0.748 local terms energy: -634.083596 where: bonds (distance) C4'-P energy: -117.005 bonds (distance) P-C4' energy: -114.557 flat angles C4'-P-C4' energy: -137.742 flat angles P-C4'-P energy: -92.937 tors. eta vs tors. theta energy: -171.842 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: 5 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1948.440334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.440334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.440334 (E_RNA) where: Base-Base interactions energy: -1355.052 where: short stacking energy: -552.978 Base-Backbone interact. energy: -1.262 local terms energy: -592.126515 where: bonds (distance) C4'-P energy: -117.001 bonds (distance) P-C4' energy: -125.401 flat angles C4'-P-C4' energy: -119.428 flat angles P-C4'-P energy: -73.280 tors. eta vs tors. theta energy: -157.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1919.870774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.870774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.870774 (E_RNA) where: Base-Base interactions energy: -1361.895 where: short stacking energy: -575.392 Base-Backbone interact. energy: 2.971 local terms energy: -560.946977 where: bonds (distance) C4'-P energy: -107.246 bonds (distance) P-C4' energy: -115.503 flat angles C4'-P-C4' energy: -117.219 flat angles P-C4'-P energy: -68.452 tors. eta vs tors. theta energy: -152.527 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: 8 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1793.158989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.158989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.158989 (E_RNA) where: Base-Base interactions energy: -1243.404 where: short stacking energy: -524.689 Base-Backbone interact. energy: -2.265 local terms energy: -547.490493 where: bonds (distance) C4'-P energy: -95.555 bonds (distance) P-C4' energy: -111.736 flat angles C4'-P-C4' energy: -114.483 flat angles P-C4'-P energy: -85.600 tors. eta vs tors. theta energy: -140.117 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: 10 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1769.355910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.355910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.355910 (E_RNA) where: Base-Base interactions energy: -1184.937 where: short stacking energy: -503.655 Base-Backbone interact. energy: -2.279 local terms energy: -582.139786 where: bonds (distance) C4'-P energy: -110.130 bonds (distance) P-C4' energy: -110.731 flat angles C4'-P-C4' energy: -129.165 flat angles P-C4'-P energy: -93.984 tors. eta vs tors. theta energy: -138.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1656.959292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.959292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.959292 (E_RNA) where: Base-Base interactions energy: -1098.961 where: short stacking energy: -499.059 Base-Backbone interact. energy: -1.249 local terms energy: -556.748663 where: bonds (distance) C4'-P energy: -111.291 bonds (distance) P-C4' energy: -111.399 flat angles C4'-P-C4' energy: -115.679 flat angles P-C4'-P energy: -74.871 tors. eta vs tors. theta energy: -143.508 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: 1 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1324.224617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.224617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.224617 (E_RNA) where: Base-Base interactions energy: -850.547 where: short stacking energy: -385.547 Base-Backbone interact. energy: -1.039 local terms energy: -472.639033 where: bonds (distance) C4'-P energy: -111.487 bonds (distance) P-C4' energy: -113.200 flat angles C4'-P-C4' energy: -102.983 flat angles P-C4'-P energy: -70.662 tors. eta vs tors. theta energy: -74.307 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: 9 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -916.095862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.095862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.095862 (E_RNA) where: Base-Base interactions energy: -518.968 where: short stacking energy: -263.452 Base-Backbone interact. energy: -0.640 local terms energy: -396.487190 where: bonds (distance) C4'-P energy: -100.305 bonds (distance) P-C4' energy: -115.863 flat angles C4'-P-C4' energy: -91.859 flat angles P-C4'-P energy: -49.802 tors. eta vs tors. theta energy: -38.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -574.275970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.275970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.275970 (E_RNA) where: Base-Base interactions energy: -250.331 where: short stacking energy: -162.220 Base-Backbone interact. energy: -1.145 local terms energy: -322.799749 where: bonds (distance) C4'-P energy: -89.317 bonds (distance) P-C4' energy: -95.261 flat angles C4'-P-C4' energy: -92.072 flat angles P-C4'-P energy: -58.147 tors. eta vs tors. theta energy: 11.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2159.341026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.341026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.341026 (E_RNA) where: Base-Base interactions energy: -1532.279 where: short stacking energy: -636.031 Base-Backbone interact. energy: 4.576 local terms energy: -631.637171 where: bonds (distance) C4'-P energy: -112.278 bonds (distance) P-C4' energy: -128.637 flat angles C4'-P-C4' energy: -139.881 flat angles P-C4'-P energy: -81.976 tors. eta vs tors. theta energy: -168.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2080.293905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.293905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.293905 (E_RNA) where: Base-Base interactions energy: -1423.949 where: short stacking energy: -611.090 Base-Backbone interact. energy: -2.122 local terms energy: -654.223596 where: bonds (distance) C4'-P energy: -127.222 bonds (distance) P-C4' energy: -131.598 flat angles C4'-P-C4' energy: -134.903 flat angles P-C4'-P energy: -84.665 tors. eta vs tors. theta energy: -175.836 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: 5 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1978.858607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.858607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.858607 (E_RNA) where: Base-Base interactions energy: -1393.732 where: short stacking energy: -583.041 Base-Backbone interact. energy: -2.452 local terms energy: -582.674515 where: bonds (distance) C4'-P energy: -101.302 bonds (distance) P-C4' energy: -117.182 flat angles C4'-P-C4' energy: -124.316 flat angles P-C4'-P energy: -85.710 tors. eta vs tors. theta energy: -154.164 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: 7 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1915.399585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.399585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.399585 (E_RNA) where: Base-Base interactions energy: -1313.448 where: short stacking energy: -545.240 Base-Backbone interact. energy: -1.660 local terms energy: -600.290990 where: bonds (distance) C4'-P energy: -116.180 bonds (distance) P-C4' energy: -111.498 flat angles C4'-P-C4' energy: -126.728 flat angles P-C4'-P energy: -87.892 tors. eta vs tors. theta energy: -157.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1850.856941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.856941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.856941 (E_RNA) where: Base-Base interactions energy: -1274.062 where: short stacking energy: -551.895 Base-Backbone interact. energy: -2.564 local terms energy: -574.231100 where: bonds (distance) C4'-P energy: -123.501 bonds (distance) P-C4' energy: -101.845 flat angles C4'-P-C4' energy: -119.152 flat angles P-C4'-P energy: -88.195 tors. eta vs tors. theta energy: -141.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1796.249370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.249370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.249370 (E_RNA) where: Base-Base interactions energy: -1211.121 where: short stacking energy: -542.991 Base-Backbone interact. energy: -3.970 local terms energy: -581.158587 where: bonds (distance) C4'-P energy: -112.057 bonds (distance) P-C4' energy: -109.186 flat angles C4'-P-C4' energy: -133.415 flat angles P-C4'-P energy: -74.341 tors. eta vs tors. theta energy: -152.159 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: 6 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1583.286044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.286044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.286044 (E_RNA) where: Base-Base interactions energy: -1045.687 where: short stacking energy: -467.379 Base-Backbone interact. energy: -2.557 local terms energy: -535.041896 where: bonds (distance) C4'-P energy: -112.774 bonds (distance) P-C4' energy: -109.640 flat angles C4'-P-C4' energy: -118.374 flat angles P-C4'-P energy: -68.564 tors. eta vs tors. theta energy: -125.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1314.004983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.004983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.004983 (E_RNA) where: Base-Base interactions energy: -855.311 where: short stacking energy: -391.769 Base-Backbone interact. energy: -0.066 local terms energy: -458.628006 where: bonds (distance) C4'-P energy: -100.629 bonds (distance) P-C4' energy: -94.011 flat angles C4'-P-C4' energy: -107.298 flat angles P-C4'-P energy: -78.317 tors. eta vs tors. theta energy: -78.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -916.791829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.791829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.791829 (E_RNA) where: Base-Base interactions energy: -516.618 where: short stacking energy: -282.468 Base-Backbone interact. energy: 1.598 local terms energy: -401.771593 where: bonds (distance) C4'-P energy: -103.530 bonds (distance) P-C4' energy: -112.287 flat angles C4'-P-C4' energy: -84.091 flat angles P-C4'-P energy: -43.391 tors. eta vs tors. theta energy: -58.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -581.171827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.171827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.171827 (E_RNA) where: Base-Base interactions energy: -283.877 where: short stacking energy: -201.626 Base-Backbone interact. energy: 3.237 local terms energy: -300.531747 where: bonds (distance) C4'-P energy: -78.774 bonds (distance) P-C4' energy: -87.140 flat angles C4'-P-C4' energy: -89.885 flat angles P-C4'-P energy: -60.490 tors. eta vs tors. theta energy: 15.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2172.661569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.661569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.661569 (E_RNA) where: Base-Base interactions energy: -1517.604 where: short stacking energy: -647.082 Base-Backbone interact. energy: -2.275 local terms energy: -652.782613 where: bonds (distance) C4'-P energy: -118.372 bonds (distance) P-C4' energy: -128.106 flat angles C4'-P-C4' energy: -138.572 flat angles P-C4'-P energy: -82.295 tors. eta vs tors. theta energy: -185.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2072.304348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.304348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.304348 (E_RNA) where: Base-Base interactions energy: -1442.612 where: short stacking energy: -622.652 Base-Backbone interact. energy: -2.034 local terms energy: -627.658203 where: bonds (distance) C4'-P energy: -117.328 bonds (distance) P-C4' energy: -127.454 flat angles C4'-P-C4' energy: -133.768 flat angles P-C4'-P energy: -79.748 tors. eta vs tors. theta energy: -169.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1983.917047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.917047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.917047 (E_RNA) where: Base-Base interactions energy: -1386.673 where: short stacking energy: -595.084 Base-Backbone interact. energy: -1.905 local terms energy: -595.338981 where: bonds (distance) C4'-P energy: -107.968 bonds (distance) P-C4' energy: -122.154 flat angles C4'-P-C4' energy: -125.621 flat angles P-C4'-P energy: -92.930 tors. eta vs tors. theta energy: -146.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1978.907033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.907033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.907033 (E_RNA) where: Base-Base interactions energy: -1373.053 where: short stacking energy: -596.068 Base-Backbone interact. energy: -5.090 local terms energy: -600.763938 where: bonds (distance) C4'-P energy: -101.049 bonds (distance) P-C4' energy: -109.555 flat angles C4'-P-C4' energy: -124.713 flat angles P-C4'-P energy: -86.793 tors. eta vs tors. theta energy: -178.654 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: 5, replica: 8 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1780.121506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.121506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.121506 (E_RNA) where: Base-Base interactions energy: -1243.567 where: short stacking energy: -526.311 Base-Backbone interact. energy: -0.681 local terms energy: -535.873493 where: bonds (distance) C4'-P energy: -94.017 bonds (distance) P-C4' energy: -118.158 flat angles C4'-P-C4' energy: -123.117 flat angles P-C4'-P energy: -70.707 tors. eta vs tors. theta energy: -129.874 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: 6, replica: 10 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1751.970484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.970484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.970484 (E_RNA) where: Base-Base interactions energy: -1204.462 where: short stacking energy: -533.862 Base-Backbone interact. energy: -2.739 local terms energy: -544.769647 where: bonds (distance) C4'-P energy: -106.105 bonds (distance) P-C4' energy: -99.158 flat angles C4'-P-C4' energy: -125.205 flat angles P-C4'-P energy: -71.434 tors. eta vs tors. theta energy: -142.868 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: 7, replica: 6 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1626.218008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.218008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.218008 (E_RNA) where: Base-Base interactions energy: -1122.788 where: short stacking energy: -493.847 Base-Backbone interact. energy: 2.871 local terms energy: -506.300478 where: bonds (distance) C4'-P energy: -113.300 bonds (distance) P-C4' energy: -86.599 flat angles C4'-P-C4' energy: -113.354 flat angles P-C4'-P energy: -72.382 tors. eta vs tors. theta energy: -120.665 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: 8, replica: 1 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1323.983812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.983812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.983812 (E_RNA) where: Base-Base interactions energy: -860.743 where: short stacking energy: -382.777 Base-Backbone interact. energy: 3.367 local terms energy: -466.607667 where: bonds (distance) C4'-P energy: -77.356 bonds (distance) P-C4' energy: -114.371 flat angles C4'-P-C4' energy: -105.875 flat angles P-C4'-P energy: -77.773 tors. eta vs tors. theta energy: -91.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -882.439095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.439095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.439095 (E_RNA) where: Base-Base interactions energy: -503.323 where: short stacking energy: -254.449 Base-Backbone interact. energy: 1.060 local terms energy: -380.175388 where: bonds (distance) C4'-P energy: -96.698 bonds (distance) P-C4' energy: -86.380 flat angles C4'-P-C4' energy: -90.004 flat angles P-C4'-P energy: -71.265 tors. eta vs tors. theta energy: -35.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -566.831359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.831359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.831359 (E_RNA) where: Base-Base interactions energy: -235.095 where: short stacking energy: -153.927 Base-Backbone interact. energy: -0.921 local terms energy: -330.815198 where: bonds (distance) C4'-P energy: -120.440 bonds (distance) P-C4' energy: -106.457 flat angles C4'-P-C4' energy: -78.056 flat angles P-C4'-P energy: -57.949 tors. eta vs tors. theta energy: 32.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2186.972739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.972739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.972739 (E_RNA) where: Base-Base interactions energy: -1512.054 where: short stacking energy: -633.219 Base-Backbone interact. energy: -1.317 local terms energy: -673.602030 where: bonds (distance) C4'-P energy: -126.598 bonds (distance) P-C4' energy: -127.276 flat angles C4'-P-C4' energy: -138.254 flat angles P-C4'-P energy: -99.803 tors. eta vs tors. theta energy: -181.671 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: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2096.889360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.889360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.889360 (E_RNA) where: Base-Base interactions energy: -1474.824 where: short stacking energy: -628.198 Base-Backbone interact. energy: -4.382 local terms energy: -617.683216 where: bonds (distance) C4'-P energy: -108.902 bonds (distance) P-C4' energy: -123.743 flat angles C4'-P-C4' energy: -127.300 flat angles P-C4'-P energy: -86.471 tors. eta vs tors. theta energy: -171.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1977.591323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.591323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.591323 (E_RNA) where: Base-Base interactions energy: -1396.853 where: short stacking energy: -578.112 Base-Backbone interact. energy: -1.879 local terms energy: -578.859468 where: bonds (distance) C4'-P energy: -102.265 bonds (distance) P-C4' energy: -105.561 flat angles C4'-P-C4' energy: -138.415 flat angles P-C4'-P energy: -80.478 tors. eta vs tors. theta energy: -152.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1985.201110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.201110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.201110 (E_RNA) where: Base-Base interactions energy: -1370.328 where: short stacking energy: -584.388 Base-Backbone interact. energy: -3.016 local terms energy: -611.857368 where: bonds (distance) C4'-P energy: -120.508 bonds (distance) P-C4' energy: -121.410 flat angles C4'-P-C4' energy: -120.411 flat angles P-C4'-P energy: -85.643 tors. eta vs tors. theta energy: -163.884 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: 5, replica: 10 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1801.541230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.541230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.541230 (E_RNA) where: Base-Base interactions energy: -1233.102 where: short stacking energy: -520.521 Base-Backbone interact. energy: -1.488 local terms energy: -566.951276 where: bonds (distance) C4'-P energy: -99.202 bonds (distance) P-C4' energy: -120.144 flat angles C4'-P-C4' energy: -129.685 flat angles P-C4'-P energy: -84.797 tors. eta vs tors. theta energy: -133.123 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: 8 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1698.927861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.927861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.927861 (E_RNA) where: Base-Base interactions energy: -1167.745 where: short stacking energy: -507.820 Base-Backbone interact. energy: -2.967 local terms energy: -528.215909 where: bonds (distance) C4'-P energy: -101.297 bonds (distance) P-C4' energy: -98.587 flat angles C4'-P-C4' energy: -111.576 flat angles P-C4'-P energy: -65.014 tors. eta vs tors. theta energy: -151.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1590.864775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.864775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.864775 (E_RNA) where: Base-Base interactions energy: -1069.339 where: short stacking energy: -462.682 Base-Backbone interact. energy: -2.108 local terms energy: -519.417035 where: bonds (distance) C4'-P energy: -108.043 bonds (distance) P-C4' energy: -111.937 flat angles C4'-P-C4' energy: -116.857 flat angles P-C4'-P energy: -63.912 tors. eta vs tors. theta energy: -118.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1348.669122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.669122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.669122 (E_RNA) where: Base-Base interactions energy: -877.165 where: short stacking energy: -414.365 Base-Backbone interact. energy: -0.489 local terms energy: -471.015463 where: bonds (distance) C4'-P energy: -101.711 bonds (distance) P-C4' energy: -96.917 flat angles C4'-P-C4' energy: -109.237 flat angles P-C4'-P energy: -64.615 tors. eta vs tors. theta energy: -98.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -912.729820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.729820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.729820 (E_RNA) where: Base-Base interactions energy: -512.467 where: short stacking energy: -251.582 Base-Backbone interact. energy: 0.135 local terms energy: -400.397437 where: bonds (distance) C4'-P energy: -107.846 bonds (distance) P-C4' energy: -96.579 flat angles C4'-P-C4' energy: -116.387 flat angles P-C4'-P energy: -59.809 tors. eta vs tors. theta energy: -19.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -544.208238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.208238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.208238 (E_RNA) where: Base-Base interactions energy: -223.950 where: short stacking energy: -177.741 Base-Backbone interact. energy: 2.110 local terms energy: -322.368907 where: bonds (distance) C4'-P energy: -102.706 bonds (distance) P-C4' energy: -104.727 flat angles C4'-P-C4' energy: -75.798 flat angles P-C4'-P energy: -52.709 tors. eta vs tors. theta energy: 13.571 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: 2 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2185.049775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.049775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.049775 (E_RNA) where: Base-Base interactions energy: -1526.374 where: short stacking energy: -666.895 Base-Backbone interact. energy: 2.799 local terms energy: -661.475477 where: bonds (distance) C4'-P energy: -127.707 bonds (distance) P-C4' energy: -114.539 flat angles C4'-P-C4' energy: -145.812 flat angles P-C4'-P energy: -92.555 tors. eta vs tors. theta energy: -180.862 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: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2070.006980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.006980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.006980 (E_RNA) where: Base-Base interactions energy: -1470.529 where: short stacking energy: -619.933 Base-Backbone interact. energy: 0.300 local terms energy: -599.777844 where: bonds (distance) C4'-P energy: -117.323 bonds (distance) P-C4' energy: -116.086 flat angles C4'-P-C4' energy: -128.990 flat angles P-C4'-P energy: -75.189 tors. eta vs tors. theta energy: -162.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1998.048486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.048486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.048486 (E_RNA) where: Base-Base interactions energy: -1420.184 where: short stacking energy: -569.434 Base-Backbone interact. energy: -3.250 local terms energy: -574.614256 where: bonds (distance) C4'-P energy: -111.116 bonds (distance) P-C4' energy: -106.417 flat angles C4'-P-C4' energy: -143.506 flat angles P-C4'-P energy: -70.609 tors. eta vs tors. theta energy: -142.968 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: 7 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1930.930726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.930726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.930726 (E_RNA) where: Base-Base interactions energy: -1339.133 where: short stacking energy: -565.713 Base-Backbone interact. energy: -2.619 local terms energy: -589.178344 where: bonds (distance) C4'-P energy: -100.058 bonds (distance) P-C4' energy: -121.986 flat angles C4'-P-C4' energy: -122.758 flat angles P-C4'-P energy: -82.762 tors. eta vs tors. theta energy: -161.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1867.556193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.556193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.556193 (E_RNA) where: Base-Base interactions energy: -1257.276 where: short stacking energy: -553.819 Base-Backbone interact. energy: -1.671 local terms energy: -608.608947 where: bonds (distance) C4'-P energy: -112.622 bonds (distance) P-C4' energy: -116.831 flat angles C4'-P-C4' energy: -130.521 flat angles P-C4'-P energy: -85.187 tors. eta vs tors. theta energy: -163.448 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: 6, replica: 8 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1697.714432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.714432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.714432 (E_RNA) where: Base-Base interactions energy: -1167.606 where: short stacking energy: -500.736 Base-Backbone interact. energy: -2.850 local terms energy: -527.258938 where: bonds (distance) C4'-P energy: -115.207 bonds (distance) P-C4' energy: -97.333 flat angles C4'-P-C4' energy: -110.283 flat angles P-C4'-P energy: -72.262 tors. eta vs tors. theta energy: -132.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1566.610029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.610029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.610029 (E_RNA) where: Base-Base interactions energy: -1056.137 where: short stacking energy: -452.490 Base-Backbone interact. energy: -0.850 local terms energy: -509.623262 where: bonds (distance) C4'-P energy: -96.559 bonds (distance) P-C4' energy: -103.762 flat angles C4'-P-C4' energy: -121.644 flat angles P-C4'-P energy: -70.278 tors. eta vs tors. theta energy: -117.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1366.032288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.032288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.032288 (E_RNA) where: Base-Base interactions energy: -900.720 where: short stacking energy: -398.347 Base-Backbone interact. energy: -0.040 local terms energy: -465.272044 where: bonds (distance) C4'-P energy: -94.992 bonds (distance) P-C4' energy: -113.217 flat angles C4'-P-C4' energy: -107.567 flat angles P-C4'-P energy: -63.117 tors. eta vs tors. theta energy: -86.379 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: 9 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -870.578909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.578909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.578909 (E_RNA) where: Base-Base interactions energy: -490.993 where: short stacking energy: -269.334 Base-Backbone interact. energy: 1.783 local terms energy: -381.368358 where: bonds (distance) C4'-P energy: -94.679 bonds (distance) P-C4' energy: -101.347 flat angles C4'-P-C4' energy: -96.908 flat angles P-C4'-P energy: -47.609 tors. eta vs tors. theta energy: -40.825 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: 4 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -603.613555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.613555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.613555 (E_RNA) where: Base-Base interactions energy: -274.024 where: short stacking energy: -192.869 Base-Backbone interact. energy: -1.937 local terms energy: -327.653087 where: bonds (distance) C4'-P energy: -84.070 bonds (distance) P-C4' energy: -101.764 flat angles C4'-P-C4' energy: -80.466 flat angles P-C4'-P energy: -68.121 tors. eta vs tors. theta energy: 6.768 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: 268 Temperature: 0.900000 Total energy: -2192.380870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.380870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.380870 (E_RNA) where: Base-Base interactions energy: -1526.198 where: short stacking energy: -648.839 Base-Backbone interact. energy: -1.805 local terms energy: -664.378734 where: bonds (distance) C4'-P energy: -123.747 bonds (distance) P-C4' energy: -117.996 flat angles C4'-P-C4' energy: -139.803 flat angles P-C4'-P energy: -97.212 tors. eta vs tors. theta energy: -185.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2094.572618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.572618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.572618 (E_RNA) where: Base-Base interactions energy: -1451.308 where: short stacking energy: -620.297 Base-Backbone interact. energy: -1.878 local terms energy: -641.386137 where: bonds (distance) C4'-P energy: -105.523 bonds (distance) P-C4' energy: -129.431 flat angles C4'-P-C4' energy: -138.764 flat angles P-C4'-P energy: -91.729 tors. eta vs tors. theta energy: -175.939 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: 7 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1992.969602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.969602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.969602 (E_RNA) where: Base-Base interactions energy: -1378.031 where: short stacking energy: -588.076 Base-Backbone interact. energy: -0.371 local terms energy: -614.567271 where: bonds (distance) C4'-P energy: -122.107 bonds (distance) P-C4' energy: -128.645 flat angles C4'-P-C4' energy: -119.382 flat angles P-C4'-P energy: -81.810 tors. eta vs tors. theta energy: -162.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1961.987303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.987303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.987303 (E_RNA) where: Base-Base interactions energy: -1387.750 where: short stacking energy: -570.901 Base-Backbone interact. energy: -3.043 local terms energy: -571.194492 where: bonds (distance) C4'-P energy: -101.811 bonds (distance) P-C4' energy: -111.864 flat angles C4'-P-C4' energy: -121.293 flat angles P-C4'-P energy: -88.077 tors. eta vs tors. theta energy: -148.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1759.977000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.977000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.977000 (E_RNA) where: Base-Base interactions energy: -1223.442 where: short stacking energy: -523.770 Base-Backbone interact. energy: 4.137 local terms energy: -540.672132 where: bonds (distance) C4'-P energy: -113.383 bonds (distance) P-C4' energy: -106.829 flat angles C4'-P-C4' energy: -118.381 flat angles P-C4'-P energy: -69.971 tors. eta vs tors. theta energy: -132.108 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: 10 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1761.640552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.640552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.640552 (E_RNA) where: Base-Base interactions energy: -1186.874 where: short stacking energy: -505.747 Base-Backbone interact. energy: 3.648 local terms energy: -578.414899 where: bonds (distance) C4'-P energy: -113.437 bonds (distance) P-C4' energy: -124.907 flat angles C4'-P-C4' energy: -112.684 flat angles P-C4'-P energy: -78.846 tors. eta vs tors. theta energy: -148.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1475.264239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.264239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.264239 (E_RNA) where: Base-Base interactions energy: -1007.724 where: short stacking energy: -444.549 Base-Backbone interact. energy: -0.119 local terms energy: -467.421860 where: bonds (distance) C4'-P energy: -84.517 bonds (distance) P-C4' energy: -103.591 flat angles C4'-P-C4' energy: -107.873 flat angles P-C4'-P energy: -55.297 tors. eta vs tors. theta energy: -116.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1399.708658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.708658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.708658 (E_RNA) where: Base-Base interactions energy: -921.877 where: short stacking energy: -396.487 Base-Backbone interact. energy: -0.342 local terms energy: -477.489716 where: bonds (distance) C4'-P energy: -98.734 bonds (distance) P-C4' energy: -102.717 flat angles C4'-P-C4' energy: -105.421 flat angles P-C4'-P energy: -74.191 tors. eta vs tors. theta energy: -96.427 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: 268 Temperature: 1.300000 Total energy: -915.154639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.154639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.154639 (E_RNA) where: Base-Base interactions energy: -531.386 where: short stacking energy: -246.075 Base-Backbone interact. energy: -1.788 local terms energy: -381.980763 where: bonds (distance) C4'-P energy: -105.174 bonds (distance) P-C4' energy: -113.278 flat angles C4'-P-C4' energy: -72.290 flat angles P-C4'-P energy: -73.846 tors. eta vs tors. theta energy: -17.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -614.985502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.985502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.985502 (E_RNA) where: Base-Base interactions energy: -272.996 where: short stacking energy: -201.566 Base-Backbone interact. energy: 0.228 local terms energy: -342.217803 where: bonds (distance) C4'-P energy: -90.101 bonds (distance) P-C4' energy: -94.901 flat angles C4'-P-C4' energy: -81.009 flat angles P-C4'-P energy: -67.281 tors. eta vs tors. theta energy: -8.927 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: 1, replica: 2 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2177.134139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.134139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.134139 (E_RNA) where: Base-Base interactions energy: -1507.149 where: short stacking energy: -634.555 Base-Backbone interact. energy: -1.428 local terms energy: -668.557259 where: bonds (distance) C4'-P energy: -127.249 bonds (distance) P-C4' energy: -126.949 flat angles C4'-P-C4' energy: -134.564 flat angles P-C4'-P energy: -104.317 tors. eta vs tors. theta energy: -175.478 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: 3 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2106.716394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.716394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.716394 (E_RNA) where: Base-Base interactions energy: -1466.273 where: short stacking energy: -636.734 Base-Backbone interact. energy: -2.150 local terms energy: -638.293130 where: bonds (distance) C4'-P energy: -108.018 bonds (distance) P-C4' energy: -113.764 flat angles C4'-P-C4' energy: -138.926 flat angles P-C4'-P energy: -98.124 tors. eta vs tors. theta energy: -179.462 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: 7 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2005.205321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.205321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.205321 (E_RNA) where: Base-Base interactions energy: -1369.869 where: short stacking energy: -599.158 Base-Backbone interact. energy: -3.131 local terms energy: -632.205843 where: bonds (distance) C4'-P energy: -117.058 bonds (distance) P-C4' energy: -121.989 flat angles C4'-P-C4' energy: -141.353 flat angles P-C4'-P energy: -83.821 tors. eta vs tors. theta energy: -167.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1919.748701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.748701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.748701 (E_RNA) where: Base-Base interactions energy: -1347.484 where: short stacking energy: -548.107 Base-Backbone interact. energy: -0.634 local terms energy: -571.630986 where: bonds (distance) C4'-P energy: -105.326 bonds (distance) P-C4' energy: -112.650 flat angles C4'-P-C4' energy: -129.661 flat angles P-C4'-P energy: -83.339 tors. eta vs tors. theta energy: -140.655 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: 8 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1812.869330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.869330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.869330 (E_RNA) where: Base-Base interactions energy: -1249.192 where: short stacking energy: -561.168 Base-Backbone interact. energy: -2.165 local terms energy: -561.511987 where: bonds (distance) C4'-P energy: -106.930 bonds (distance) P-C4' energy: -102.900 flat angles C4'-P-C4' energy: -127.646 flat angles P-C4'-P energy: -74.515 tors. eta vs tors. theta energy: -149.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1703.706493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.706493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.706493 (E_RNA) where: Base-Base interactions energy: -1196.377 where: short stacking energy: -454.936 Base-Backbone interact. energy: 0.937 local terms energy: -508.266433 where: bonds (distance) C4'-P energy: -86.221 bonds (distance) P-C4' energy: -107.632 flat angles C4'-P-C4' energy: -104.462 flat angles P-C4'-P energy: -94.290 tors. eta vs tors. theta energy: -115.660 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: 269 Temperature: 1.200000 Total energy: -1489.700573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.700573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.700573 (E_RNA) where: Base-Base interactions energy: -1007.143 where: short stacking energy: -438.492 Base-Backbone interact. energy: -1.050 local terms energy: -481.507079 where: bonds (distance) C4'-P energy: -89.978 bonds (distance) P-C4' energy: -103.203 flat angles C4'-P-C4' energy: -115.525 flat angles P-C4'-P energy: -74.978 tors. eta vs tors. theta energy: -97.824 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: 8, replica: 1 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1395.867723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.867723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.867723 (E_RNA) where: Base-Base interactions energy: -935.848 where: short stacking energy: -393.084 Base-Backbone interact. energy: -1.424 local terms energy: -458.595401 where: bonds (distance) C4'-P energy: -110.398 bonds (distance) P-C4' energy: -84.931 flat angles C4'-P-C4' energy: -95.566 flat angles P-C4'-P energy: -67.725 tors. eta vs tors. theta energy: -99.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -944.542471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.542471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.542471 (E_RNA) where: Base-Base interactions energy: -569.801 where: short stacking energy: -290.554 Base-Backbone interact. energy: 4.472 local terms energy: -379.214095 where: bonds (distance) C4'-P energy: -92.675 bonds (distance) P-C4' energy: -104.340 flat angles C4'-P-C4' energy: -92.790 flat angles P-C4'-P energy: -51.542 tors. eta vs tors. theta energy: -37.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -596.626572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.626572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.626572 (E_RNA) where: Base-Base interactions energy: -263.867 where: short stacking energy: -189.164 Base-Backbone interact. energy: -1.233 local terms energy: -331.526521 where: bonds (distance) C4'-P energy: -93.934 bonds (distance) P-C4' energy: -107.980 flat angles C4'-P-C4' energy: -90.586 flat angles P-C4'-P energy: -45.274 tors. eta vs tors. theta energy: 6.247 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: 1, replica: 3 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2139.547983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.547983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.547983 (E_RNA) where: Base-Base interactions energy: -1480.568 where: short stacking energy: -629.332 Base-Backbone interact. energy: -2.061 local terms energy: -656.919088 where: bonds (distance) C4'-P energy: -113.641 bonds (distance) P-C4' energy: -134.618 flat angles C4'-P-C4' energy: -135.399 flat angles P-C4'-P energy: -99.288 tors. eta vs tors. theta energy: -173.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2122.954720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.954720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.954720 (E_RNA) where: Base-Base interactions energy: -1453.014 where: short stacking energy: -635.116 Base-Backbone interact. energy: -1.945 local terms energy: -667.995537 where: bonds (distance) C4'-P energy: -120.799 bonds (distance) P-C4' energy: -127.139 flat angles C4'-P-C4' energy: -129.301 flat angles P-C4'-P energy: -104.927 tors. eta vs tors. theta energy: -185.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1998.309790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.309790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.309790 (E_RNA) where: Base-Base interactions energy: -1386.857 where: short stacking energy: -615.376 Base-Backbone interact. energy: -1.103 local terms energy: -610.348940 where: bonds (distance) C4'-P energy: -95.953 bonds (distance) P-C4' energy: -118.007 flat angles C4'-P-C4' energy: -135.890 flat angles P-C4'-P energy: -99.045 tors. eta vs tors. theta energy: -161.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1923.920145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.920145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.920145 (E_RNA) where: Base-Base interactions energy: -1348.099 where: short stacking energy: -543.311 Base-Backbone interact. energy: 2.921 local terms energy: -578.741859 where: bonds (distance) C4'-P energy: -122.149 bonds (distance) P-C4' energy: -110.112 flat angles C4'-P-C4' energy: -127.077 flat angles P-C4'-P energy: -78.204 tors. eta vs tors. theta energy: -141.199 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: 8 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1829.503348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.503348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.503348 (E_RNA) where: Base-Base interactions energy: -1264.577 where: short stacking energy: -549.074 Base-Backbone interact. energy: 0.617 local terms energy: -565.543466 where: bonds (distance) C4'-P energy: -100.964 bonds (distance) P-C4' energy: -110.511 flat angles C4'-P-C4' energy: -119.854 flat angles P-C4'-P energy: -80.680 tors. eta vs tors. theta energy: -153.534 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: 10 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1771.574175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.574175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.574175 (E_RNA) where: Base-Base interactions energy: -1211.054 where: short stacking energy: -484.718 Base-Backbone interact. energy: -0.123 local terms energy: -560.396885 where: bonds (distance) C4'-P energy: -103.631 bonds (distance) P-C4' energy: -118.435 flat angles C4'-P-C4' energy: -134.006 flat angles P-C4'-P energy: -81.023 tors. eta vs tors. theta energy: -123.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1568.198539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.198539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.198539 (E_RNA) where: Base-Base interactions energy: -1055.777 where: short stacking energy: -478.551 Base-Backbone interact. energy: -1.640 local terms energy: -510.782119 where: bonds (distance) C4'-P energy: -107.648 bonds (distance) P-C4' energy: -102.650 flat angles C4'-P-C4' energy: -123.847 flat angles P-C4'-P energy: -64.492 tors. eta vs tors. theta energy: -112.145 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: 1 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1408.546488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.546488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.546488 (E_RNA) where: Base-Base interactions energy: -909.428 where: short stacking energy: -397.932 Base-Backbone interact. energy: -1.668 local terms energy: -497.451139 where: bonds (distance) C4'-P energy: -102.738 bonds (distance) P-C4' energy: -109.630 flat angles C4'-P-C4' energy: -116.656 flat angles P-C4'-P energy: -74.124 tors. eta vs tors. theta energy: -94.303 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: 9 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -948.084644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.084644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.084644 (E_RNA) where: Base-Base interactions energy: -582.718 where: short stacking energy: -281.554 Base-Backbone interact. energy: 3.949 local terms energy: -369.316326 where: bonds (distance) C4'-P energy: -81.869 bonds (distance) P-C4' energy: -97.122 flat angles C4'-P-C4' energy: -102.089 flat angles P-C4'-P energy: -49.820 tors. eta vs tors. theta energy: -38.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -565.576466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.576466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.576466 (E_RNA) where: Base-Base interactions energy: -235.039 where: short stacking energy: -170.597 Base-Backbone interact. energy: 2.352 local terms energy: -332.889036 where: bonds (distance) C4'-P energy: -95.930 bonds (distance) P-C4' energy: -109.416 flat angles C4'-P-C4' energy: -92.926 flat angles P-C4'-P energy: -48.549 tors. eta vs tors. theta energy: 13.932 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: 271 Temperature: 0.900000 Total energy: -2170.699546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.699546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.699546 (E_RNA) where: Base-Base interactions energy: -1503.478 where: short stacking energy: -658.335 Base-Backbone interact. energy: -1.955 local terms energy: -665.266743 where: bonds (distance) C4'-P energy: -122.712 bonds (distance) P-C4' energy: -121.340 flat angles C4'-P-C4' energy: -144.968 flat angles P-C4'-P energy: -91.852 tors. eta vs tors. theta energy: -184.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2118.493964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.493964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.493964 (E_RNA) where: Base-Base interactions energy: -1490.045 where: short stacking energy: -635.357 Base-Backbone interact. energy: -3.971 local terms energy: -624.477657 where: bonds (distance) C4'-P energy: -106.490 bonds (distance) P-C4' energy: -122.443 flat angles C4'-P-C4' energy: -138.375 flat angles P-C4'-P energy: -88.013 tors. eta vs tors. theta energy: -169.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1973.449271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.449271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.449271 (E_RNA) where: Base-Base interactions energy: -1345.293 where: short stacking energy: -571.167 Base-Backbone interact. energy: 0.039 local terms energy: -628.195061 where: bonds (distance) C4'-P energy: -113.438 bonds (distance) P-C4' energy: -127.864 flat angles C4'-P-C4' energy: -137.237 flat angles P-C4'-P energy: -91.448 tors. eta vs tors. theta energy: -158.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1936.718421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.718421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.718421 (E_RNA) where: Base-Base interactions energy: -1394.966 where: short stacking energy: -568.727 Base-Backbone interact. energy: 1.183 local terms energy: -542.935584 where: bonds (distance) C4'-P energy: -83.672 bonds (distance) P-C4' energy: -96.202 flat angles C4'-P-C4' energy: -129.511 flat angles P-C4'-P energy: -83.532 tors. eta vs tors. theta energy: -150.020 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: 8 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1796.011597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.011597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.011597 (E_RNA) where: Base-Base interactions energy: -1212.202 where: short stacking energy: -533.785 Base-Backbone interact. energy: -0.223 local terms energy: -583.586276 where: bonds (distance) C4'-P energy: -119.318 bonds (distance) P-C4' energy: -97.378 flat angles C4'-P-C4' energy: -125.742 flat angles P-C4'-P energy: -92.880 tors. eta vs tors. theta energy: -148.268 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: 10 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1793.185572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.185572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.185572 (E_RNA) where: Base-Base interactions energy: -1242.105 where: short stacking energy: -544.153 Base-Backbone interact. energy: -2.596 local terms energy: -548.485003 where: bonds (distance) C4'-P energy: -103.602 bonds (distance) P-C4' energy: -103.308 flat angles C4'-P-C4' energy: -121.947 flat angles P-C4'-P energy: -67.224 tors. eta vs tors. theta energy: -152.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1564.102818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.102818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.102818 (E_RNA) where: Base-Base interactions energy: -1050.179 where: short stacking energy: -472.329 Base-Backbone interact. energy: 0.144 local terms energy: -514.068118 where: bonds (distance) C4'-P energy: -92.265 bonds (distance) P-C4' energy: -101.709 flat angles C4'-P-C4' energy: -110.427 flat angles P-C4'-P energy: -81.421 tors. eta vs tors. theta energy: -128.246 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: 8, replica: 1 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1411.497431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.497431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.497431 (E_RNA) where: Base-Base interactions energy: -954.542 where: short stacking energy: -415.827 Base-Backbone interact. energy: -1.189 local terms energy: -455.766350 where: bonds (distance) C4'-P energy: -99.136 bonds (distance) P-C4' energy: -98.100 flat angles C4'-P-C4' energy: -106.845 flat angles P-C4'-P energy: -50.407 tors. eta vs tors. theta energy: -101.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -951.140553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.140553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.140553 (E_RNA) where: Base-Base interactions energy: -588.632 where: short stacking energy: -290.578 Base-Backbone interact. energy: -0.300 local terms energy: -362.208603 where: bonds (distance) C4'-P energy: -88.889 bonds (distance) P-C4' energy: -94.865 flat angles C4'-P-C4' energy: -96.366 flat angles P-C4'-P energy: -54.016 tors. eta vs tors. theta energy: -28.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -563.136943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.136943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.136943 (E_RNA) where: Base-Base interactions energy: -263.901 where: short stacking energy: -197.280 Base-Backbone interact. energy: 0.036 local terms energy: -299.271990 where: bonds (distance) C4'-P energy: -89.520 bonds (distance) P-C4' energy: -89.122 flat angles C4'-P-C4' energy: -95.749 flat angles P-C4'-P energy: -26.982 tors. eta vs tors. theta energy: 2.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2141.322295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.322295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.322295 (E_RNA) where: Base-Base interactions energy: -1487.540 where: short stacking energy: -622.036 Base-Backbone interact. energy: -2.286 local terms energy: -651.496302 where: bonds (distance) C4'-P energy: -130.631 bonds (distance) P-C4' energy: -129.959 flat angles C4'-P-C4' energy: -136.172 flat angles P-C4'-P energy: -85.555 tors. eta vs tors. theta energy: -169.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2126.839226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.839226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.839226 (E_RNA) where: Base-Base interactions energy: -1472.834 where: short stacking energy: -617.685 Base-Backbone interact. energy: 0.397 local terms energy: -654.402418 where: bonds (distance) C4'-P energy: -115.579 bonds (distance) P-C4' energy: -131.605 flat angles C4'-P-C4' energy: -141.706 flat angles P-C4'-P energy: -92.386 tors. eta vs tors. theta energy: -173.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1993.717268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.717268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.717268 (E_RNA) where: Base-Base interactions energy: -1375.754 where: short stacking energy: -595.082 Base-Backbone interact. energy: -2.603 local terms energy: -615.360332 where: bonds (distance) C4'-P energy: -112.962 bonds (distance) P-C4' energy: -127.546 flat angles C4'-P-C4' energy: -131.405 flat angles P-C4'-P energy: -81.733 tors. eta vs tors. theta energy: -161.714 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: 4, replica: 5 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1936.551908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.551908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.551908 (E_RNA) where: Base-Base interactions energy: -1364.689 where: short stacking energy: -547.970 Base-Backbone interact. energy: -0.642 local terms energy: -571.221224 where: bonds (distance) C4'-P energy: -110.211 bonds (distance) P-C4' energy: -115.927 flat angles C4'-P-C4' energy: -129.692 flat angles P-C4'-P energy: -75.439 tors. eta vs tors. theta energy: -139.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1876.721951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.721951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.721951 (E_RNA) where: Base-Base interactions energy: -1280.622 where: short stacking energy: -568.961 Base-Backbone interact. energy: -2.302 local terms energy: -593.797764 where: bonds (distance) C4'-P energy: -105.895 bonds (distance) P-C4' energy: -101.114 flat angles C4'-P-C4' energy: -129.377 flat angles P-C4'-P energy: -84.972 tors. eta vs tors. theta energy: -172.440 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: 10 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1699.132491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.132491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.132491 (E_RNA) where: Base-Base interactions energy: -1186.806 where: short stacking energy: -507.240 Base-Backbone interact. energy: -2.934 local terms energy: -509.392692 where: bonds (distance) C4'-P energy: -100.360 bonds (distance) P-C4' energy: -88.102 flat angles C4'-P-C4' energy: -118.500 flat angles P-C4'-P energy: -80.497 tors. eta vs tors. theta energy: -121.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1552.608433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.608433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.608433 (E_RNA) where: Base-Base interactions energy: -1031.486 where: short stacking energy: -441.280 Base-Backbone interact. energy: -1.384 local terms energy: -519.738453 where: bonds (distance) C4'-P energy: -102.373 bonds (distance) P-C4' energy: -110.337 flat angles C4'-P-C4' energy: -110.045 flat angles P-C4'-P energy: -66.301 tors. eta vs tors. theta energy: -130.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1427.876931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.876931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.876931 (E_RNA) where: Base-Base interactions energy: -938.705 where: short stacking energy: -409.643 Base-Backbone interact. energy: 0.019 local terms energy: -489.190623 where: bonds (distance) C4'-P energy: -99.836 bonds (distance) P-C4' energy: -101.109 flat angles C4'-P-C4' energy: -108.555 flat angles P-C4'-P energy: -75.797 tors. eta vs tors. theta energy: -103.894 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: 9, replica: 9 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -953.429017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.429017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.429017 (E_RNA) where: Base-Base interactions energy: -578.713 where: short stacking energy: -279.258 Base-Backbone interact. energy: -3.936 local terms energy: -370.779504 where: bonds (distance) C4'-P energy: -95.174 bonds (distance) P-C4' energy: -96.964 flat angles C4'-P-C4' energy: -103.400 flat angles P-C4'-P energy: -51.665 tors. eta vs tors. theta energy: -23.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -572.366476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.366476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.366476 (E_RNA) where: Base-Base interactions energy: -254.469 where: short stacking energy: -187.263 Base-Backbone interact. energy: -0.328 local terms energy: -317.569733 where: bonds (distance) C4'-P energy: -90.972 bonds (distance) P-C4' energy: -117.639 flat angles C4'-P-C4' energy: -70.993 flat angles P-C4'-P energy: -42.303 tors. eta vs tors. theta energy: 4.337 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: 3 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2141.418544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.418544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.418544 (E_RNA) where: Base-Base interactions energy: -1489.294 where: short stacking energy: -630.449 Base-Backbone interact. energy: -3.364 local terms energy: -648.760851 where: bonds (distance) C4'-P energy: -115.468 bonds (distance) P-C4' energy: -132.844 flat angles C4'-P-C4' energy: -133.864 flat angles P-C4'-P energy: -79.502 tors. eta vs tors. theta energy: -187.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2132.916739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.916739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.916739 (E_RNA) where: Base-Base interactions energy: -1485.370 where: short stacking energy: -633.393 Base-Backbone interact. energy: -2.374 local terms energy: -645.172173 where: bonds (distance) C4'-P energy: -115.903 bonds (distance) P-C4' energy: -123.131 flat angles C4'-P-C4' energy: -137.947 flat angles P-C4'-P energy: -85.710 tors. eta vs tors. theta energy: -182.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1969.776428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.776428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.776428 (E_RNA) where: Base-Base interactions energy: -1351.358 where: short stacking energy: -587.036 Base-Backbone interact. energy: -1.687 local terms energy: -616.731363 where: bonds (distance) C4'-P energy: -122.037 bonds (distance) P-C4' energy: -127.195 flat angles C4'-P-C4' energy: -132.061 flat angles P-C4'-P energy: -75.771 tors. eta vs tors. theta energy: -159.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1915.895553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.895553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.895553 (E_RNA) where: Base-Base interactions energy: -1312.937 where: short stacking energy: -572.646 Base-Backbone interact. energy: -0.228 local terms energy: -602.729995 where: bonds (distance) C4'-P energy: -111.184 bonds (distance) P-C4' energy: -113.748 flat angles C4'-P-C4' energy: -135.379 flat angles P-C4'-P energy: -90.848 tors. eta vs tors. theta energy: -151.571 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: 5 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1880.987851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.987851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.987851 (E_RNA) where: Base-Base interactions energy: -1323.569 where: short stacking energy: -562.260 Base-Backbone interact. energy: -1.772 local terms energy: -555.647007 where: bonds (distance) C4'-P energy: -92.000 bonds (distance) P-C4' energy: -110.847 flat angles C4'-P-C4' energy: -123.738 flat angles P-C4'-P energy: -82.902 tors. eta vs tors. theta energy: -146.161 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: 10 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1741.755849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.755849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.755849 (E_RNA) where: Base-Base interactions energy: -1202.771 where: short stacking energy: -505.157 Base-Backbone interact. energy: -3.021 local terms energy: -535.963999 where: bonds (distance) C4'-P energy: -102.191 bonds (distance) P-C4' energy: -93.918 flat angles C4'-P-C4' energy: -128.891 flat angles P-C4'-P energy: -73.131 tors. eta vs tors. theta energy: -137.834 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: 7, replica: 6 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1511.935218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.935218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.935218 (E_RNA) where: Base-Base interactions energy: -1000.856 where: short stacking energy: -464.953 Base-Backbone interact. energy: 1.134 local terms energy: -512.212909 where: bonds (distance) C4'-P energy: -89.619 bonds (distance) P-C4' energy: -106.056 flat angles C4'-P-C4' energy: -120.694 flat angles P-C4'-P energy: -74.424 tors. eta vs tors. theta energy: -121.419 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: 8, replica: 1 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1326.967259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.967259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.967259 (E_RNA) where: Base-Base interactions energy: -857.382 where: short stacking energy: -371.420 Base-Backbone interact. energy: -0.113 local terms energy: -469.472154 where: bonds (distance) C4'-P energy: -115.330 bonds (distance) P-C4' energy: -98.174 flat angles C4'-P-C4' energy: -101.595 flat angles P-C4'-P energy: -70.397 tors. eta vs tors. theta energy: -83.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1023.171072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.171072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.171072 (E_RNA) where: Base-Base interactions energy: -654.256 where: short stacking energy: -287.035 Base-Backbone interact. energy: -1.520 local terms energy: -367.395775 where: bonds (distance) C4'-P energy: -77.667 bonds (distance) P-C4' energy: -101.229 flat angles C4'-P-C4' energy: -94.299 flat angles P-C4'-P energy: -62.559 tors. eta vs tors. theta energy: -31.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -622.277263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.277263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.277263 (E_RNA) where: Base-Base interactions energy: -327.821 where: short stacking energy: -180.603 Base-Backbone interact. energy: 1.575 local terms energy: -296.031068 where: bonds (distance) C4'-P energy: -83.510 bonds (distance) P-C4' energy: -94.251 flat angles C4'-P-C4' energy: -84.141 flat angles P-C4'-P energy: -33.174 tors. eta vs tors. theta energy: -0.956 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: 1, replica: 3 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2174.726599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.726599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.726599 (E_RNA) where: Base-Base interactions energy: -1516.114 where: short stacking energy: -656.211 Base-Backbone interact. energy: -0.277 local terms energy: -658.335766 where: bonds (distance) C4'-P energy: -120.281 bonds (distance) P-C4' energy: -124.618 flat angles C4'-P-C4' energy: -141.961 flat angles P-C4'-P energy: -90.146 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: 2, replica: 2 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2145.710517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.710517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.710517 (E_RNA) where: Base-Base interactions energy: -1495.780 where: short stacking energy: -646.567 Base-Backbone interact. energy: -3.031 local terms energy: -646.898913 where: bonds (distance) C4'-P energy: -130.016 bonds (distance) P-C4' energy: -106.941 flat angles C4'-P-C4' energy: -135.992 flat angles P-C4'-P energy: -94.467 tors. eta vs tors. theta energy: -179.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1997.821173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.821173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.821173 (E_RNA) where: Base-Base interactions energy: -1356.160 where: short stacking energy: -593.690 Base-Backbone interact. energy: -3.288 local terms energy: -638.373644 where: bonds (distance) C4'-P energy: -122.223 bonds (distance) P-C4' energy: -124.861 flat angles C4'-P-C4' energy: -142.761 flat angles P-C4'-P energy: -83.087 tors. eta vs tors. theta energy: -165.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1937.150957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.150957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.150957 (E_RNA) where: Base-Base interactions energy: -1352.668 where: short stacking energy: -578.359 Base-Backbone interact. energy: -1.127 local terms energy: -583.355947 where: bonds (distance) C4'-P energy: -112.615 bonds (distance) P-C4' energy: -115.071 flat angles C4'-P-C4' energy: -111.977 flat angles P-C4'-P energy: -83.923 tors. eta vs tors. theta energy: -159.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1888.575144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.575144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.575144 (E_RNA) where: Base-Base interactions energy: -1303.701 where: short stacking energy: -542.975 Base-Backbone interact. energy: 0.987 local terms energy: -585.860868 where: bonds (distance) C4'-P energy: -115.100 bonds (distance) P-C4' energy: -111.204 flat angles C4'-P-C4' energy: -125.364 flat angles P-C4'-P energy: -83.986 tors. eta vs tors. theta energy: -150.207 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: 6, replica: 10 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1759.073700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.073700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.073700 (E_RNA) where: Base-Base interactions energy: -1179.692 where: short stacking energy: -529.962 Base-Backbone interact. energy: -2.830 local terms energy: -576.551417 where: bonds (distance) C4'-P energy: -94.240 bonds (distance) P-C4' energy: -113.584 flat angles C4'-P-C4' energy: -138.037 flat angles P-C4'-P energy: -81.181 tors. eta vs tors. theta energy: -149.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1533.262500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.262500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.262500 (E_RNA) where: Base-Base interactions energy: -1017.086 where: short stacking energy: -475.310 Base-Backbone interact. energy: 2.559 local terms energy: -518.734988 where: bonds (distance) C4'-P energy: -87.821 bonds (distance) P-C4' energy: -121.545 flat angles C4'-P-C4' energy: -112.994 flat angles P-C4'-P energy: -72.295 tors. eta vs tors. theta energy: -124.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1346.205961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.205961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.205961 (E_RNA) where: Base-Base interactions energy: -868.840 where: short stacking energy: -403.129 Base-Backbone interact. energy: -1.360 local terms energy: -476.005692 where: bonds (distance) C4'-P energy: -88.410 bonds (distance) P-C4' energy: -123.278 flat angles C4'-P-C4' energy: -93.406 flat angles P-C4'-P energy: -78.268 tors. eta vs tors. theta energy: -92.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1009.948680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.948680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.948680 (E_RNA) where: Base-Base interactions energy: -618.505 where: short stacking energy: -290.124 Base-Backbone interact. energy: 1.490 local terms energy: -392.933466 where: bonds (distance) C4'-P energy: -91.717 bonds (distance) P-C4' energy: -101.870 flat angles C4'-P-C4' energy: -102.397 flat angles P-C4'-P energy: -67.643 tors. eta vs tors. theta energy: -29.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -574.140660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.140660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.140660 (E_RNA) where: Base-Base interactions energy: -251.258 where: short stacking energy: -131.144 Base-Backbone interact. energy: -3.587 local terms energy: -319.295468 where: bonds (distance) C4'-P energy: -100.198 bonds (distance) P-C4' energy: -97.874 flat angles C4'-P-C4' energy: -91.904 flat angles P-C4'-P energy: -41.606 tors. eta vs tors. theta energy: 12.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2156.677899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.677899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.677899 (E_RNA) where: Base-Base interactions energy: -1502.639 where: short stacking energy: -648.514 Base-Backbone interact. energy: -2.019 local terms energy: -652.020498 where: bonds (distance) C4'-P energy: -119.377 bonds (distance) P-C4' energy: -129.585 flat angles C4'-P-C4' energy: -140.903 flat angles P-C4'-P energy: -77.767 tors. eta vs tors. theta energy: -184.388 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: 275 Temperature: 0.950000 Total energy: -2134.360553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.360553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.360553 (E_RNA) where: Base-Base interactions energy: -1484.587 where: short stacking energy: -630.253 Base-Backbone interact. energy: -3.617 local terms energy: -646.156404 where: bonds (distance) C4'-P energy: -105.447 bonds (distance) P-C4' energy: -140.921 flat angles C4'-P-C4' energy: -137.358 flat angles P-C4'-P energy: -91.334 tors. eta vs tors. theta energy: -171.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1983.319727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.319727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.319727 (E_RNA) where: Base-Base interactions energy: -1342.517 where: short stacking energy: -588.157 Base-Backbone interact. energy: -3.541 local terms energy: -637.261694 where: bonds (distance) C4'-P energy: -127.401 bonds (distance) P-C4' energy: -130.427 flat angles C4'-P-C4' energy: -139.034 flat angles P-C4'-P energy: -81.397 tors. eta vs tors. theta energy: -159.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1889.953731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.953731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.953731 (E_RNA) where: Base-Base interactions energy: -1320.998 where: short stacking energy: -536.126 Base-Backbone interact. energy: 1.185 local terms energy: -570.140654 where: bonds (distance) C4'-P energy: -106.947 bonds (distance) P-C4' energy: -122.576 flat angles C4'-P-C4' energy: -129.369 flat angles P-C4'-P energy: -69.013 tors. eta vs tors. theta energy: -142.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1843.631736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.631736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.631736 (E_RNA) where: Base-Base interactions energy: -1269.449 where: short stacking energy: -530.050 Base-Backbone interact. energy: -3.260 local terms energy: -570.922580 where: bonds (distance) C4'-P energy: -102.026 bonds (distance) P-C4' energy: -111.347 flat angles C4'-P-C4' energy: -119.595 flat angles P-C4'-P energy: -80.952 tors. eta vs tors. theta energy: -157.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1757.111963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.111963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.111963 (E_RNA) where: Base-Base interactions energy: -1185.347 where: short stacking energy: -520.348 Base-Backbone interact. energy: -3.748 local terms energy: -568.016387 where: bonds (distance) C4'-P energy: -109.019 bonds (distance) P-C4' energy: -118.766 flat angles C4'-P-C4' energy: -100.616 flat angles P-C4'-P energy: -95.545 tors. eta vs tors. theta energy: -144.071 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: 7, replica: 6 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1519.735282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.735282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.735282 (E_RNA) where: Base-Base interactions energy: -993.938 where: short stacking energy: -465.149 Base-Backbone interact. energy: 3.387 local terms energy: -529.184915 where: bonds (distance) C4'-P energy: -99.222 bonds (distance) P-C4' energy: -106.437 flat angles C4'-P-C4' energy: -121.638 flat angles P-C4'-P energy: -75.797 tors. eta vs tors. theta energy: -126.090 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: 8, replica: 1 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1333.385869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.385869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.385869 (E_RNA) where: Base-Base interactions energy: -830.735 where: short stacking energy: -414.314 Base-Backbone interact. energy: -1.666 local terms energy: -500.984822 where: bonds (distance) C4'-P energy: -98.350 bonds (distance) P-C4' energy: -112.747 flat angles C4'-P-C4' energy: -113.588 flat angles P-C4'-P energy: -68.496 tors. eta vs tors. theta energy: -107.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -986.680352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.680352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.680352 (E_RNA) where: Base-Base interactions energy: -595.484 where: short stacking energy: -298.882 Base-Backbone interact. energy: 0.079 local terms energy: -391.275234 where: bonds (distance) C4'-P energy: -114.078 bonds (distance) P-C4' energy: -89.586 flat angles C4'-P-C4' energy: -94.696 flat angles P-C4'-P energy: -46.967 tors. eta vs tors. theta energy: -45.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -690.482697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.482697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.482697 (E_RNA) where: Base-Base interactions energy: -343.035 where: short stacking energy: -193.253 Base-Backbone interact. energy: 2.001 local terms energy: -349.448053 where: bonds (distance) C4'-P energy: -105.115 bonds (distance) P-C4' energy: -105.912 flat angles C4'-P-C4' energy: -91.718 flat angles P-C4'-P energy: -52.109 tors. eta vs tors. theta energy: 5.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2154.219662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.219662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.219662 (E_RNA) where: Base-Base interactions energy: -1516.070 where: short stacking energy: -639.859 Base-Backbone interact. energy: -2.153 local terms energy: -635.997388 where: bonds (distance) C4'-P energy: -106.853 bonds (distance) P-C4' energy: -113.733 flat angles C4'-P-C4' energy: -143.285 flat angles P-C4'-P energy: -92.079 tors. eta vs tors. theta energy: -180.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2141.244715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.244715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.244715 (E_RNA) where: Base-Base interactions energy: -1499.705 where: short stacking energy: -637.409 Base-Backbone interact. energy: -2.045 local terms energy: -639.494467 where: bonds (distance) C4'-P energy: -125.658 bonds (distance) P-C4' energy: -118.000 flat angles C4'-P-C4' energy: -128.062 flat angles P-C4'-P energy: -84.969 tors. eta vs tors. theta energy: -182.806 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: 3, replica: 7 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1994.834119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.834119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.834119 (E_RNA) where: Base-Base interactions energy: -1379.667 where: short stacking energy: -599.371 Base-Backbone interact. energy: -0.017 local terms energy: -615.151009 where: bonds (distance) C4'-P energy: -114.473 bonds (distance) P-C4' energy: -109.176 flat angles C4'-P-C4' energy: -132.518 flat angles P-C4'-P energy: -91.406 tors. eta vs tors. theta energy: -167.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1945.627280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.627280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.627280 (E_RNA) where: Base-Base interactions energy: -1340.691 where: short stacking energy: -539.115 Base-Backbone interact. energy: -3.301 local terms energy: -601.634931 where: bonds (distance) C4'-P energy: -112.970 bonds (distance) P-C4' energy: -127.033 flat angles C4'-P-C4' energy: -135.641 flat angles P-C4'-P energy: -88.228 tors. eta vs tors. theta energy: -137.762 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: 8 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1833.641012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.641012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.641012 (E_RNA) where: Base-Base interactions energy: -1274.984 where: short stacking energy: -557.553 Base-Backbone interact. energy: -1.591 local terms energy: -557.066032 where: bonds (distance) C4'-P energy: -96.018 bonds (distance) P-C4' energy: -104.222 flat angles C4'-P-C4' energy: -129.761 flat angles P-C4'-P energy: -79.358 tors. eta vs tors. theta energy: -147.706 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: 10 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1773.378682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.378682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.378682 (E_RNA) where: Base-Base interactions energy: -1223.646 where: short stacking energy: -545.057 Base-Backbone interact. energy: -2.510 local terms energy: -547.222420 where: bonds (distance) C4'-P energy: -81.063 bonds (distance) P-C4' energy: -108.679 flat angles C4'-P-C4' energy: -127.589 flat angles P-C4'-P energy: -84.444 tors. eta vs tors. theta energy: -145.447 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: 276 Temperature: 1.200000 Total energy: -1549.344616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.344616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.344616 (E_RNA) where: Base-Base interactions energy: -1042.086 where: short stacking energy: -479.016 Base-Backbone interact. energy: 1.263 local terms energy: -508.521635 where: bonds (distance) C4'-P energy: -110.297 bonds (distance) P-C4' energy: -100.381 flat angles C4'-P-C4' energy: -117.306 flat angles P-C4'-P energy: -65.334 tors. eta vs tors. theta energy: -115.204 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: 1 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1369.469306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.469306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.469306 (E_RNA) where: Base-Base interactions energy: -894.101 where: short stacking energy: -405.958 Base-Backbone interact. energy: -0.660 local terms energy: -474.708057 where: bonds (distance) C4'-P energy: -97.568 bonds (distance) P-C4' energy: -104.954 flat angles C4'-P-C4' energy: -102.093 flat angles P-C4'-P energy: -69.011 tors. eta vs tors. theta energy: -101.081 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: 9, replica: 9 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -980.052267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.052267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.052267 (E_RNA) where: Base-Base interactions energy: -610.575 where: short stacking energy: -306.269 Base-Backbone interact. energy: 0.547 local terms energy: -370.024282 where: bonds (distance) C4'-P energy: -95.376 bonds (distance) P-C4' energy: -79.662 flat angles C4'-P-C4' energy: -94.203 flat angles P-C4'-P energy: -58.169 tors. eta vs tors. theta energy: -42.614 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: 4 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -679.541899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.541899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.541899 (E_RNA) where: Base-Base interactions energy: -333.417 where: short stacking energy: -188.437 Base-Backbone interact. energy: 0.161 local terms energy: -346.285026 where: bonds (distance) C4'-P energy: -100.660 bonds (distance) P-C4' energy: -114.717 flat angles C4'-P-C4' energy: -76.550 flat angles P-C4'-P energy: -53.012 tors. eta vs tors. theta energy: -1.346 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: 3 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2170.193703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.193703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.193703 (E_RNA) where: Base-Base interactions energy: -1505.450 where: short stacking energy: -632.769 Base-Backbone interact. energy: -1.848 local terms energy: -662.895780 where: bonds (distance) C4'-P energy: -125.165 bonds (distance) P-C4' energy: -117.821 flat angles C4'-P-C4' energy: -146.686 flat angles P-C4'-P energy: -89.166 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: 2, replica: 2 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2134.494936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.494936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.494936 (E_RNA) where: Base-Base interactions energy: -1496.520 where: short stacking energy: -637.971 Base-Backbone interact. energy: -0.834 local terms energy: -637.141117 where: bonds (distance) C4'-P energy: -117.059 bonds (distance) P-C4' energy: -105.117 flat angles C4'-P-C4' energy: -142.249 flat angles P-C4'-P energy: -94.353 tors. eta vs tors. theta energy: -178.363 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: 7 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2006.617085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.617085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.617085 (E_RNA) where: Base-Base interactions energy: -1391.076 where: short stacking energy: -612.428 Base-Backbone interact. energy: -0.298 local terms energy: -615.242944 where: bonds (distance) C4'-P energy: -111.483 bonds (distance) P-C4' energy: -122.706 flat angles C4'-P-C4' energy: -139.100 flat angles P-C4'-P energy: -69.943 tors. eta vs tors. theta energy: -172.011 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: 5 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1952.864711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.864711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.864711 (E_RNA) where: Base-Base interactions energy: -1378.588 where: short stacking energy: -581.173 Base-Backbone interact. energy: -1.569 local terms energy: -572.708450 where: bonds (distance) C4'-P energy: -98.443 bonds (distance) P-C4' energy: -117.942 flat angles C4'-P-C4' energy: -118.088 flat angles P-C4'-P energy: -81.518 tors. eta vs tors. theta energy: -156.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1839.606040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.606040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.606040 (E_RNA) where: Base-Base interactions energy: -1309.452 where: short stacking energy: -573.935 Base-Backbone interact. energy: 0.494 local terms energy: -530.648788 where: bonds (distance) C4'-P energy: -77.382 bonds (distance) P-C4' energy: -99.306 flat angles C4'-P-C4' energy: -120.148 flat angles P-C4'-P energy: -82.133 tors. eta vs tors. theta energy: -151.679 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: 10 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1731.495165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.495165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.495165 (E_RNA) where: Base-Base interactions energy: -1196.166 where: short stacking energy: -528.781 Base-Backbone interact. energy: -0.796 local terms energy: -534.532487 where: bonds (distance) C4'-P energy: -106.109 bonds (distance) P-C4' energy: -95.617 flat angles C4'-P-C4' energy: -123.715 flat angles P-C4'-P energy: -75.127 tors. eta vs tors. theta energy: -133.965 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: 6 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1555.152669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.152669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.152669 (E_RNA) where: Base-Base interactions energy: -1061.120 where: short stacking energy: -446.384 Base-Backbone interact. energy: 0.081 local terms energy: -494.113827 where: bonds (distance) C4'-P energy: -104.801 bonds (distance) P-C4' energy: -89.180 flat angles C4'-P-C4' energy: -115.194 flat angles P-C4'-P energy: -66.511 tors. eta vs tors. theta energy: -118.428 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: 1 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1361.013002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.013002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.013002 (E_RNA) where: Base-Base interactions energy: -887.471 where: short stacking energy: -403.033 Base-Backbone interact. energy: -0.322 local terms energy: -473.220709 where: bonds (distance) C4'-P energy: -98.951 bonds (distance) P-C4' energy: -106.930 flat angles C4'-P-C4' energy: -107.647 flat angles P-C4'-P energy: -68.532 tors. eta vs tors. theta energy: -91.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1025.596902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.596902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.596902 (E_RNA) where: Base-Base interactions energy: -634.217 where: short stacking energy: -285.264 Base-Backbone interact. energy: 4.116 local terms energy: -395.495478 where: bonds (distance) C4'-P energy: -85.415 bonds (distance) P-C4' energy: -107.825 flat angles C4'-P-C4' energy: -93.067 flat angles P-C4'-P energy: -59.373 tors. eta vs tors. theta energy: -49.816 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: 10, replica: 4 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -676.737989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.737989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.737989 (E_RNA) where: Base-Base interactions energy: -361.581 where: short stacking energy: -196.854 Base-Backbone interact. energy: 4.835 local terms energy: -319.991731 where: bonds (distance) C4'-P energy: -97.993 bonds (distance) P-C4' energy: -90.025 flat angles C4'-P-C4' energy: -81.967 flat angles P-C4'-P energy: -40.868 tors. eta vs tors. theta energy: -9.139 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: 1, replica: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2187.180732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.180732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.180732 (E_RNA) where: Base-Base interactions energy: -1524.362 where: short stacking energy: -649.590 Base-Backbone interact. energy: -0.961 local terms energy: -661.857289 where: bonds (distance) C4'-P energy: -122.000 bonds (distance) P-C4' energy: -118.530 flat angles C4'-P-C4' energy: -140.174 flat angles P-C4'-P energy: -99.583 tors. eta vs tors. theta energy: -181.570 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: 2, replica: 2 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2144.979706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.979706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.979706 (E_RNA) where: Base-Base interactions energy: -1500.408 where: short stacking energy: -637.603 Base-Backbone interact. energy: -2.549 local terms energy: -642.022975 where: bonds (distance) C4'-P energy: -116.584 bonds (distance) P-C4' energy: -118.800 flat angles C4'-P-C4' energy: -137.651 flat angles P-C4'-P energy: -87.627 tors. eta vs tors. theta energy: -181.361 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: 7 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2043.180513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.180513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.180513 (E_RNA) where: Base-Base interactions energy: -1404.383 where: short stacking energy: -627.985 Base-Backbone interact. energy: -3.596 local terms energy: -635.201410 where: bonds (distance) C4'-P energy: -118.758 bonds (distance) P-C4' energy: -117.065 flat angles C4'-P-C4' energy: -144.325 flat angles P-C4'-P energy: -80.329 tors. eta vs tors. theta energy: -174.724 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: 5 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1894.364122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.364122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.364122 (E_RNA) where: Base-Base interactions energy: -1328.680 where: short stacking energy: -558.763 Base-Backbone interact. energy: -3.034 local terms energy: -562.650130 where: bonds (distance) C4'-P energy: -108.462 bonds (distance) P-C4' energy: -116.871 flat angles C4'-P-C4' energy: -130.068 flat angles P-C4'-P energy: -62.115 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: 5, replica: 8 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1860.156655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.156655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.156655 (E_RNA) where: Base-Base interactions energy: -1283.161 where: short stacking energy: -549.611 Base-Backbone interact. energy: -2.539 local terms energy: -574.457328 where: bonds (distance) C4'-P energy: -102.514 bonds (distance) P-C4' energy: -102.233 flat angles C4'-P-C4' energy: -127.152 flat angles P-C4'-P energy: -84.785 tors. eta vs tors. theta energy: -157.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1789.546565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.546565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.546565 (E_RNA) where: Base-Base interactions energy: -1238.501 where: short stacking energy: -558.956 Base-Backbone interact. energy: -0.876 local terms energy: -550.169714 where: bonds (distance) C4'-P energy: -103.740 bonds (distance) P-C4' energy: -108.354 flat angles C4'-P-C4' energy: -116.232 flat angles P-C4'-P energy: -76.738 tors. eta vs tors. theta energy: -145.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1520.053683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.053683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.053683 (E_RNA) where: Base-Base interactions energy: -1029.937 where: short stacking energy: -469.478 Base-Backbone interact. energy: -3.596 local terms energy: -486.520451 where: bonds (distance) C4'-P energy: -100.359 bonds (distance) P-C4' energy: -81.868 flat angles C4'-P-C4' energy: -109.505 flat angles P-C4'-P energy: -75.694 tors. eta vs tors. theta energy: -119.094 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: 8, replica: 1 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1226.118183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.118183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.118183 (E_RNA) where: Base-Base interactions energy: -778.216 where: short stacking energy: -383.644 Base-Backbone interact. energy: -1.093 local terms energy: -446.809178 where: bonds (distance) C4'-P energy: -93.020 bonds (distance) P-C4' energy: -100.513 flat angles C4'-P-C4' energy: -119.018 flat angles P-C4'-P energy: -57.848 tors. eta vs tors. theta energy: -76.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1008.511962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.511962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.511962 (E_RNA) where: Base-Base interactions energy: -604.667 where: short stacking energy: -291.296 Base-Backbone interact. energy: -2.491 local terms energy: -401.354538 where: bonds (distance) C4'-P energy: -104.688 bonds (distance) P-C4' energy: -103.295 flat angles C4'-P-C4' energy: -86.133 flat angles P-C4'-P energy: -64.729 tors. eta vs tors. theta energy: -42.509 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: 4 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -670.616594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.616594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.616594 (E_RNA) where: Base-Base interactions energy: -338.798 where: short stacking energy: -186.246 Base-Backbone interact. energy: 3.924 local terms energy: -335.742901 where: bonds (distance) C4'-P energy: -94.017 bonds (distance) P-C4' energy: -106.696 flat angles C4'-P-C4' energy: -84.623 flat angles P-C4'-P energy: -57.215 tors. eta vs tors. theta energy: 6.808 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: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2146.616609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.616609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.616609 (E_RNA) where: Base-Base interactions energy: -1492.639 where: short stacking energy: -616.973 Base-Backbone interact. energy: -0.721 local terms energy: -653.256569 where: bonds (distance) C4'-P energy: -120.915 bonds (distance) P-C4' energy: -122.563 flat angles C4'-P-C4' energy: -136.059 flat angles P-C4'-P energy: -100.387 tors. eta vs tors. theta energy: -173.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2040.830928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.830928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.830928 (E_RNA) where: Base-Base interactions energy: -1407.971 where: short stacking energy: -624.224 Base-Backbone interact. energy: -1.646 local terms energy: -631.213792 where: bonds (distance) C4'-P energy: -110.851 bonds (distance) P-C4' energy: -118.238 flat angles C4'-P-C4' energy: -149.578 flat angles P-C4'-P energy: -86.728 tors. eta vs tors. theta energy: -165.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2087.266187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.266187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.266187 (E_RNA) where: Base-Base interactions energy: -1473.643 where: short stacking energy: -630.091 Base-Backbone interact. energy: 1.605 local terms energy: -615.228642 where: bonds (distance) C4'-P energy: -103.813 bonds (distance) P-C4' energy: -115.291 flat angles C4'-P-C4' energy: -137.052 flat angles P-C4'-P energy: -86.483 tors. eta vs tors. theta energy: -172.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1903.535340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.535340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.535340 (E_RNA) where: Base-Base interactions energy: -1317.201 where: short stacking energy: -553.700 Base-Backbone interact. energy: -2.776 local terms energy: -583.558366 where: bonds (distance) C4'-P energy: -110.723 bonds (distance) P-C4' energy: -116.570 flat angles C4'-P-C4' energy: -127.622 flat angles P-C4'-P energy: -80.146 tors. eta vs tors. theta energy: -148.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1817.181209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.181209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.181209 (E_RNA) where: Base-Base interactions energy: -1264.454 where: short stacking energy: -546.917 Base-Backbone interact. energy: -5.657 local terms energy: -547.070615 where: bonds (distance) C4'-P energy: -98.619 bonds (distance) P-C4' energy: -96.294 flat angles C4'-P-C4' energy: -126.754 flat angles P-C4'-P energy: -76.078 tors. eta vs tors. theta energy: -149.325 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: 10 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1811.800480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.800480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.800480 (E_RNA) where: Base-Base interactions energy: -1251.076 where: short stacking energy: -548.249 Base-Backbone interact. energy: -2.478 local terms energy: -558.246336 where: bonds (distance) C4'-P energy: -105.593 bonds (distance) P-C4' energy: -102.236 flat angles C4'-P-C4' energy: -117.760 flat angles P-C4'-P energy: -79.620 tors. eta vs tors. theta energy: -153.037 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: 7, replica: 6 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1489.564769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.564769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.564769 (E_RNA) where: Base-Base interactions energy: -985.396 where: short stacking energy: -445.650 Base-Backbone interact. energy: -0.166 local terms energy: -504.002772 where: bonds (distance) C4'-P energy: -93.814 bonds (distance) P-C4' energy: -101.361 flat angles C4'-P-C4' energy: -123.939 flat angles P-C4'-P energy: -79.094 tors. eta vs tors. theta energy: -105.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1313.707007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.707007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.707007 (E_RNA) where: Base-Base interactions energy: -834.647 where: short stacking energy: -372.403 Base-Backbone interact. energy: -0.852 local terms energy: -478.208023 where: bonds (distance) C4'-P energy: -97.884 bonds (distance) P-C4' energy: -111.339 flat angles C4'-P-C4' energy: -111.400 flat angles P-C4'-P energy: -71.664 tors. eta vs tors. theta energy: -85.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -958.779992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.779992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.779992 (E_RNA) where: Base-Base interactions energy: -550.207 where: short stacking energy: -265.316 Base-Backbone interact. energy: 1.267 local terms energy: -409.839899 where: bonds (distance) C4'-P energy: -113.756 bonds (distance) P-C4' energy: -103.706 flat angles C4'-P-C4' energy: -96.072 flat angles P-C4'-P energy: -67.390 tors. eta vs tors. theta energy: -28.915 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: 4 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -696.505418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.505418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.505418 (E_RNA) where: Base-Base interactions energy: -351.830 where: short stacking energy: -191.263 Base-Backbone interact. energy: 0.209 local terms energy: -344.884724 where: bonds (distance) C4'-P energy: -89.424 bonds (distance) P-C4' energy: -104.114 flat angles C4'-P-C4' energy: -106.169 flat angles P-C4'-P energy: -50.635 tors. eta vs tors. theta energy: 5.457 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: 1, replica: 3 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2158.039007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.039007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.039007 (E_RNA) where: Base-Base interactions energy: -1488.751 where: short stacking energy: -631.412 Base-Backbone interact. energy: -4.222 local terms energy: -665.065964 where: bonds (distance) C4'-P energy: -127.542 bonds (distance) P-C4' energy: -124.448 flat angles C4'-P-C4' energy: -136.297 flat angles P-C4'-P energy: -95.569 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: 2, replica: 7 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2044.957999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.957999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.957999 (E_RNA) where: Base-Base interactions energy: -1403.736 where: short stacking energy: -616.036 Base-Backbone interact. energy: -2.742 local terms energy: -638.480259 where: bonds (distance) C4'-P energy: -112.027 bonds (distance) P-C4' energy: -123.597 flat angles C4'-P-C4' energy: -143.237 flat angles P-C4'-P energy: -89.628 tors. eta vs tors. theta energy: -169.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2095.077455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.077455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.077455 (E_RNA) where: Base-Base interactions energy: -1466.481 where: short stacking energy: -633.743 Base-Backbone interact. energy: -0.094 local terms energy: -628.502021 where: bonds (distance) C4'-P energy: -105.767 bonds (distance) P-C4' energy: -132.779 flat angles C4'-P-C4' energy: -126.865 flat angles P-C4'-P energy: -85.647 tors. eta vs tors. theta energy: -177.444 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: 4, replica: 5 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1924.352086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.352086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.352086 (E_RNA) where: Base-Base interactions energy: -1335.721 where: short stacking energy: -554.050 Base-Backbone interact. energy: -0.623 local terms energy: -588.008142 where: bonds (distance) C4'-P energy: -106.668 bonds (distance) P-C4' energy: -110.193 flat angles C4'-P-C4' energy: -129.611 flat angles P-C4'-P energy: -89.557 tors. eta vs tors. theta energy: -151.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1843.547526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.547526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.547526 (E_RNA) where: Base-Base interactions energy: -1275.159 where: short stacking energy: -547.359 Base-Backbone interact. energy: -4.262 local terms energy: -564.126883 where: bonds (distance) C4'-P energy: -97.233 bonds (distance) P-C4' energy: -111.618 flat angles C4'-P-C4' energy: -129.230 flat angles P-C4'-P energy: -79.234 tors. eta vs tors. theta energy: -146.811 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: 6, replica: 10 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1827.101117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.101117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.101117 (E_RNA) where: Base-Base interactions energy: -1250.682 where: short stacking energy: -558.156 Base-Backbone interact. energy: 0.710 local terms energy: -577.129381 where: bonds (distance) C4'-P energy: -112.877 bonds (distance) P-C4' energy: -118.628 flat angles C4'-P-C4' energy: -119.469 flat angles P-C4'-P energy: -73.584 tors. eta vs tors. theta energy: -152.572 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: 280 Temperature: 1.200000 Total energy: -1520.489551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.489551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.489551 (E_RNA) where: Base-Base interactions energy: -1009.974 where: short stacking energy: -439.496 Base-Backbone interact. energy: 0.253 local terms energy: -510.768746 where: bonds (distance) C4'-P energy: -105.930 bonds (distance) P-C4' energy: -110.643 flat angles C4'-P-C4' energy: -115.689 flat angles P-C4'-P energy: -70.619 tors. eta vs tors. theta energy: -107.887 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: 1 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1299.824419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.824419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.824419 (E_RNA) where: Base-Base interactions energy: -829.172 where: short stacking energy: -407.499 Base-Backbone interact. energy: -1.304 local terms energy: -469.348625 where: bonds (distance) C4'-P energy: -82.271 bonds (distance) P-C4' energy: -90.118 flat angles C4'-P-C4' energy: -117.248 flat angles P-C4'-P energy: -78.206 tors. eta vs tors. theta energy: -101.505 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: 9 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -971.552475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.552475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.552475 (E_RNA) where: Base-Base interactions energy: -569.911 where: short stacking energy: -283.100 Base-Backbone interact. energy: -3.004 local terms energy: -398.637022 where: bonds (distance) C4'-P energy: -105.288 bonds (distance) P-C4' energy: -99.769 flat angles C4'-P-C4' energy: -99.082 flat angles P-C4'-P energy: -52.737 tors. eta vs tors. theta energy: -41.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -670.749396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.749396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.749396 (E_RNA) where: Base-Base interactions energy: -332.909 where: short stacking energy: -181.899 Base-Backbone interact. energy: -2.481 local terms energy: -335.359464 where: bonds (distance) C4'-P energy: -104.722 bonds (distance) P-C4' energy: -105.575 flat angles C4'-P-C4' energy: -63.745 flat angles P-C4'-P energy: -56.547 tors. eta vs tors. theta energy: -4.770 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: 3 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2145.249982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.249982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.249982 (E_RNA) where: Base-Base interactions energy: -1483.025 where: short stacking energy: -629.750 Base-Backbone interact. energy: -2.489 local terms energy: -659.736270 where: bonds (distance) C4'-P energy: -122.648 bonds (distance) P-C4' energy: -122.116 flat angles C4'-P-C4' energy: -135.238 flat angles P-C4'-P energy: -97.844 tors. eta vs tors. theta energy: -181.890 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: 2, replica: 2 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2151.073539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.073539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.073539 (E_RNA) where: Base-Base interactions energy: -1505.598 where: short stacking energy: -632.996 Base-Backbone interact. energy: -1.013 local terms energy: -644.462974 where: bonds (distance) C4'-P energy: -116.940 bonds (distance) P-C4' energy: -124.085 flat angles C4'-P-C4' energy: -139.791 flat angles P-C4'-P energy: -81.915 tors. eta vs tors. theta energy: -181.733 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: 7 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1985.029396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.029396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.029396 (E_RNA) where: Base-Base interactions energy: -1372.454 where: short stacking energy: -603.995 Base-Backbone interact. energy: -2.368 local terms energy: -610.207781 where: bonds (distance) C4'-P energy: -115.553 bonds (distance) P-C4' energy: -123.568 flat angles C4'-P-C4' energy: -127.746 flat angles P-C4'-P energy: -85.326 tors. eta vs tors. theta energy: -158.015 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: 4, replica: 5 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1916.862199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.862199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.862199 (E_RNA) where: Base-Base interactions energy: -1335.464 where: short stacking energy: -539.476 Base-Backbone interact. energy: -4.807 local terms energy: -576.591576 where: bonds (distance) C4'-P energy: -124.864 bonds (distance) P-C4' energy: -120.123 flat angles C4'-P-C4' energy: -106.364 flat angles P-C4'-P energy: -86.622 tors. eta vs tors. theta energy: -138.619 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: 8 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1885.674331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.674331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.674331 (E_RNA) where: Base-Base interactions energy: -1300.612 where: short stacking energy: -579.658 Base-Backbone interact. energy: 0.797 local terms energy: -585.859475 where: bonds (distance) C4'-P energy: -104.804 bonds (distance) P-C4' energy: -115.322 flat angles C4'-P-C4' energy: -130.645 flat angles P-C4'-P energy: -71.599 tors. eta vs tors. theta energy: -163.489 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: 6, replica: 10 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1775.896193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.896193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.896193 (E_RNA) where: Base-Base interactions energy: -1206.364 where: short stacking energy: -538.932 Base-Backbone interact. energy: 0.568 local terms energy: -570.100479 where: bonds (distance) C4'-P energy: -103.359 bonds (distance) P-C4' energy: -126.816 flat angles C4'-P-C4' energy: -118.106 flat angles P-C4'-P energy: -65.909 tors. eta vs tors. theta energy: -155.911 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: 6 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1538.094466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.094466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.094466 (E_RNA) where: Base-Base interactions energy: -1015.498 where: short stacking energy: -449.096 Base-Backbone interact. energy: -0.876 local terms energy: -521.720426 where: bonds (distance) C4'-P energy: -103.779 bonds (distance) P-C4' energy: -108.869 flat angles C4'-P-C4' energy: -121.293 flat angles P-C4'-P energy: -75.841 tors. eta vs tors. theta energy: -111.939 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: 1 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1360.456765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.456765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.456765 (E_RNA) where: Base-Base interactions energy: -897.387 where: short stacking energy: -412.643 Base-Backbone interact. energy: -3.471 local terms energy: -459.598127 where: bonds (distance) C4'-P energy: -76.941 bonds (distance) P-C4' energy: -108.376 flat angles C4'-P-C4' energy: -108.239 flat angles P-C4'-P energy: -67.128 tors. eta vs tors. theta energy: -98.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -935.741203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.741203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.741203 (E_RNA) where: Base-Base interactions energy: -563.898 where: short stacking energy: -275.376 Base-Backbone interact. energy: -3.023 local terms energy: -368.820022 where: bonds (distance) C4'-P energy: -102.100 bonds (distance) P-C4' energy: -88.132 flat angles C4'-P-C4' energy: -88.118 flat angles P-C4'-P energy: -56.147 tors. eta vs tors. theta energy: -34.323 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: 4 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -690.239312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.239312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.239312 (E_RNA) where: Base-Base interactions energy: -335.911 where: short stacking energy: -186.916 Base-Backbone interact. energy: 1.488 local terms energy: -355.816606 where: bonds (distance) C4'-P energy: -77.995 bonds (distance) P-C4' energy: -109.598 flat angles C4'-P-C4' energy: -97.750 flat angles P-C4'-P energy: -63.730 tors. eta vs tors. theta energy: -6.743 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: 1, replica: 3 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2152.967726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.967726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.967726 (E_RNA) where: Base-Base interactions energy: -1491.109 where: short stacking energy: -645.825 Base-Backbone interact. energy: -2.756 local terms energy: -659.103533 where: bonds (distance) C4'-P energy: -141.257 bonds (distance) P-C4' energy: -113.903 flat angles C4'-P-C4' energy: -137.410 flat angles P-C4'-P energy: -88.025 tors. eta vs tors. theta energy: -178.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2157.115256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.115256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.115256 (E_RNA) where: Base-Base interactions energy: -1506.562 where: short stacking energy: -638.978 Base-Backbone interact. energy: -4.137 local terms energy: -646.415818 where: bonds (distance) C4'-P energy: -127.983 bonds (distance) P-C4' energy: -109.769 flat angles C4'-P-C4' energy: -137.471 flat angles P-C4'-P energy: -86.712 tors. eta vs tors. theta energy: -184.480 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: 7 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1972.359941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.359941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.359941 (E_RNA) where: Base-Base interactions energy: -1362.088 where: short stacking energy: -591.621 Base-Backbone interact. energy: -0.743 local terms energy: -609.528675 where: bonds (distance) C4'-P energy: -106.440 bonds (distance) P-C4' energy: -110.039 flat angles C4'-P-C4' energy: -147.004 flat angles P-C4'-P energy: -84.071 tors. eta vs tors. theta energy: -161.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1941.186738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.186738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.186738 (E_RNA) where: Base-Base interactions energy: -1361.887 where: short stacking energy: -584.029 Base-Backbone interact. energy: -3.961 local terms energy: -575.339428 where: bonds (distance) C4'-P energy: -100.601 bonds (distance) P-C4' energy: -112.709 flat angles C4'-P-C4' energy: -124.240 flat angles P-C4'-P energy: -82.167 tors. eta vs tors. theta energy: -155.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1899.305139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.305139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.305139 (E_RNA) where: Base-Base interactions energy: -1307.587 where: short stacking energy: -569.371 Base-Backbone interact. energy: -0.015 local terms energy: -591.703377 where: bonds (distance) C4'-P energy: -111.097 bonds (distance) P-C4' energy: -108.055 flat angles C4'-P-C4' energy: -124.099 flat angles P-C4'-P energy: -75.964 tors. eta vs tors. theta energy: -172.488 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: 10 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1734.104631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.104631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.104631 (E_RNA) where: Base-Base interactions energy: -1210.036 where: short stacking energy: -513.868 Base-Backbone interact. energy: 0.833 local terms energy: -524.901554 where: bonds (distance) C4'-P energy: -95.215 bonds (distance) P-C4' energy: -88.359 flat angles C4'-P-C4' energy: -120.272 flat angles P-C4'-P energy: -79.660 tors. eta vs tors. theta energy: -141.396 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: 6 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1574.991440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.991440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.991440 (E_RNA) where: Base-Base interactions energy: -1057.250 where: short stacking energy: -453.003 Base-Backbone interact. energy: -2.469 local terms energy: -515.273128 where: bonds (distance) C4'-P energy: -102.606 bonds (distance) P-C4' energy: -104.192 flat angles C4'-P-C4' energy: -112.841 flat angles P-C4'-P energy: -77.289 tors. eta vs tors. theta energy: -118.345 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: 1 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1274.257513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.257513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.257513 (E_RNA) where: Base-Base interactions energy: -819.998 where: short stacking energy: -388.538 Base-Backbone interact. energy: -0.068 local terms energy: -454.191504 where: bonds (distance) C4'-P energy: -100.018 bonds (distance) P-C4' energy: -111.999 flat angles C4'-P-C4' energy: -100.189 flat angles P-C4'-P energy: -69.795 tors. eta vs tors. theta energy: -72.190 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: 282 Temperature: 1.300000 Total energy: -956.865715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.865715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.865715 (E_RNA) where: Base-Base interactions energy: -589.411 where: short stacking energy: -288.376 Base-Backbone interact. energy: 1.236 local terms energy: -368.690255 where: bonds (distance) C4'-P energy: -100.623 bonds (distance) P-C4' energy: -94.344 flat angles C4'-P-C4' energy: -92.186 flat angles P-C4'-P energy: -52.781 tors. eta vs tors. theta energy: -28.757 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: 4 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -718.445630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.445630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.445630 (E_RNA) where: Base-Base interactions energy: -363.601 where: short stacking energy: -199.273 Base-Backbone interact. energy: 12.817 local terms energy: -367.661696 where: bonds (distance) C4'-P energy: -108.875 bonds (distance) P-C4' energy: -95.463 flat angles C4'-P-C4' energy: -83.370 flat angles P-C4'-P energy: -71.498 tors. eta vs tors. theta energy: -8.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2165.548038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.548038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.548038 (E_RNA) where: Base-Base interactions energy: -1522.111 where: short stacking energy: -645.782 Base-Backbone interact. energy: -0.128 local terms energy: -643.308876 where: bonds (distance) C4'-P energy: -111.868 bonds (distance) P-C4' energy: -120.264 flat angles C4'-P-C4' energy: -136.783 flat angles P-C4'-P energy: -98.184 tors. eta vs tors. theta energy: -176.209 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: 2, replica: 2 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2148.988424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.988424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.988424 (E_RNA) where: Base-Base interactions energy: -1510.768 where: short stacking energy: -631.110 Base-Backbone interact. energy: -1.577 local terms energy: -636.643474 where: bonds (distance) C4'-P energy: -125.592 bonds (distance) P-C4' energy: -108.299 flat angles C4'-P-C4' energy: -134.275 flat angles P-C4'-P energy: -94.104 tors. eta vs tors. theta energy: -174.374 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: 3, replica: 7 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1984.859263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.859263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.859263 (E_RNA) where: Base-Base interactions energy: -1367.983 where: short stacking energy: -569.722 Base-Backbone interact. energy: -2.032 local terms energy: -614.843519 where: bonds (distance) C4'-P energy: -112.386 bonds (distance) P-C4' energy: -128.376 flat angles C4'-P-C4' energy: -122.651 flat angles P-C4'-P energy: -86.227 tors. eta vs tors. theta energy: -165.204 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: 4, replica: 5 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1930.017037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.017037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.017037 (E_RNA) where: Base-Base interactions energy: -1342.003 where: short stacking energy: -543.490 Base-Backbone interact. energy: -3.756 local terms energy: -584.257674 where: bonds (distance) C4'-P energy: -119.854 bonds (distance) P-C4' energy: -114.110 flat angles C4'-P-C4' energy: -130.131 flat angles P-C4'-P energy: -83.875 tors. eta vs tors. theta energy: -136.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1873.838759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.838759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.838759 (E_RNA) where: Base-Base interactions energy: -1286.653 where: short stacking energy: -571.692 Base-Backbone interact. energy: -2.549 local terms energy: -584.636179 where: bonds (distance) C4'-P energy: -107.722 bonds (distance) P-C4' energy: -109.760 flat angles C4'-P-C4' energy: -123.433 flat angles P-C4'-P energy: -75.279 tors. eta vs tors. theta energy: -168.441 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: 10 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1708.601735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.601735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.601735 (E_RNA) where: Base-Base interactions energy: -1176.706 where: short stacking energy: -520.443 Base-Backbone interact. energy: -0.081 local terms energy: -531.814812 where: bonds (distance) C4'-P energy: -100.492 bonds (distance) P-C4' energy: -108.306 flat angles C4'-P-C4' energy: -123.597 flat angles P-C4'-P energy: -67.241 tors. eta vs tors. theta energy: -132.178 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: 7, replica: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1538.908900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.908900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.908900 (E_RNA) where: Base-Base interactions energy: -1039.934 where: short stacking energy: -462.590 Base-Backbone interact. energy: -0.716 local terms energy: -498.259342 where: bonds (distance) C4'-P energy: -89.837 bonds (distance) P-C4' energy: -121.369 flat angles C4'-P-C4' energy: -108.317 flat angles P-C4'-P energy: -77.800 tors. eta vs tors. theta energy: -100.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1265.818862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.818862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.818862 (E_RNA) where: Base-Base interactions energy: -827.247 where: short stacking energy: -383.239 Base-Backbone interact. energy: 1.424 local terms energy: -439.996167 where: bonds (distance) C4'-P energy: -102.214 bonds (distance) P-C4' energy: -100.958 flat angles C4'-P-C4' energy: -97.093 flat angles P-C4'-P energy: -75.089 tors. eta vs tors. theta energy: -64.642 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: 9, replica: 9 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -962.503614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.503614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.503614 (E_RNA) where: Base-Base interactions energy: -556.200 where: short stacking energy: -266.204 Base-Backbone interact. energy: -1.648 local terms energy: -404.655958 where: bonds (distance) C4'-P energy: -91.344 bonds (distance) P-C4' energy: -109.184 flat angles C4'-P-C4' energy: -119.253 flat angles P-C4'-P energy: -49.692 tors. eta vs tors. theta energy: -35.182 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: 4 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -707.000859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.000859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.000859 (E_RNA) where: Base-Base interactions energy: -343.931 where: short stacking energy: -206.205 Base-Backbone interact. energy: 0.894 local terms energy: -363.963262 where: bonds (distance) C4'-P energy: -91.357 bonds (distance) P-C4' energy: -117.756 flat angles C4'-P-C4' energy: -88.433 flat angles P-C4'-P energy: -62.271 tors. eta vs tors. theta energy: -4.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2182.181162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.181162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.181162 (E_RNA) where: Base-Base interactions energy: -1528.144 where: short stacking energy: -654.506 Base-Backbone interact. energy: -2.584 local terms energy: -651.452490 where: bonds (distance) C4'-P energy: -111.121 bonds (distance) P-C4' energy: -124.682 flat angles C4'-P-C4' energy: -142.674 flat angles P-C4'-P energy: -94.645 tors. eta vs tors. theta energy: -178.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2130.644540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.644540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.644540 (E_RNA) where: Base-Base interactions energy: -1504.012 where: short stacking energy: -627.945 Base-Backbone interact. energy: -4.087 local terms energy: -622.546025 where: bonds (distance) C4'-P energy: -105.623 bonds (distance) P-C4' energy: -116.981 flat angles C4'-P-C4' energy: -139.325 flat angles P-C4'-P energy: -88.343 tors. eta vs tors. theta energy: -172.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2000.572143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.572143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.572143 (E_RNA) where: Base-Base interactions energy: -1402.426 where: short stacking energy: -570.367 Base-Backbone interact. energy: -4.075 local terms energy: -594.070915 where: bonds (distance) C4'-P energy: -118.816 bonds (distance) P-C4' energy: -128.434 flat angles C4'-P-C4' energy: -125.466 flat angles P-C4'-P energy: -75.330 tors. eta vs tors. theta energy: -146.025 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: 7 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1937.795687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.795687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.795687 (E_RNA) where: Base-Base interactions energy: -1322.095 where: short stacking energy: -574.116 Base-Backbone interact. energy: 0.725 local terms energy: -616.426272 where: bonds (distance) C4'-P energy: -116.041 bonds (distance) P-C4' energy: -115.713 flat angles C4'-P-C4' energy: -136.096 flat angles P-C4'-P energy: -87.199 tors. eta vs tors. theta energy: -161.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1885.594019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.594019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.594019 (E_RNA) where: Base-Base interactions energy: -1306.400 where: short stacking energy: -569.128 Base-Backbone interact. energy: 0.821 local terms energy: -580.015060 where: bonds (distance) C4'-P energy: -108.973 bonds (distance) P-C4' energy: -110.423 flat angles C4'-P-C4' energy: -126.915 flat angles P-C4'-P energy: -75.937 tors. eta vs tors. theta energy: -157.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1710.128318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.128318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.128318 (E_RNA) where: Base-Base interactions energy: -1181.088 where: short stacking energy: -490.874 Base-Backbone interact. energy: -3.277 local terms energy: -525.763980 where: bonds (distance) C4'-P energy: -95.350 bonds (distance) P-C4' energy: -103.482 flat angles C4'-P-C4' energy: -118.423 flat angles P-C4'-P energy: -83.330 tors. eta vs tors. theta energy: -125.179 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: 6 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1548.787313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.787313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.787313 (E_RNA) where: Base-Base interactions energy: -1036.291 where: short stacking energy: -453.081 Base-Backbone interact. energy: -2.248 local terms energy: -510.248308 where: bonds (distance) C4'-P energy: -105.853 bonds (distance) P-C4' energy: -102.735 flat angles C4'-P-C4' energy: -114.216 flat angles P-C4'-P energy: -84.473 tors. eta vs tors. theta energy: -102.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1274.874863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.874863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.874863 (E_RNA) where: Base-Base interactions energy: -831.674 where: short stacking energy: -392.514 Base-Backbone interact. energy: -4.230 local terms energy: -438.971454 where: bonds (distance) C4'-P energy: -86.757 bonds (distance) P-C4' energy: -114.001 flat angles C4'-P-C4' energy: -93.592 flat angles P-C4'-P energy: -60.615 tors. eta vs tors. theta energy: -84.007 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: 284 Temperature: 1.300000 Total energy: -971.694650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.694650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.694650 (E_RNA) where: Base-Base interactions energy: -575.811 where: short stacking energy: -288.511 Base-Backbone interact. energy: 3.468 local terms energy: -399.351861 where: bonds (distance) C4'-P energy: -90.677 bonds (distance) P-C4' energy: -107.966 flat angles C4'-P-C4' energy: -94.743 flat angles P-C4'-P energy: -59.434 tors. eta vs tors. theta energy: -46.533 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: 4 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -628.692466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.692466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.692466 (E_RNA) where: Base-Base interactions energy: -300.529 where: short stacking energy: -177.190 Base-Backbone interact. energy: 1.944 local terms energy: -330.106831 where: bonds (distance) C4'-P energy: -89.663 bonds (distance) P-C4' energy: -110.074 flat angles C4'-P-C4' energy: -79.290 flat angles P-C4'-P energy: -56.687 tors. eta vs tors. theta energy: 5.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2196.519043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.519043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.519043 (E_RNA) where: Base-Base interactions energy: -1537.513 where: short stacking energy: -650.924 Base-Backbone interact. energy: -4.662 local terms energy: -654.344651 where: bonds (distance) C4'-P energy: -118.802 bonds (distance) P-C4' energy: -130.628 flat angles C4'-P-C4' energy: -132.151 flat angles P-C4'-P energy: -93.302 tors. eta vs tors. theta energy: -179.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2091.648258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.648258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.648258 (E_RNA) where: Base-Base interactions energy: -1469.812 where: short stacking energy: -621.792 Base-Backbone interact. energy: -4.697 local terms energy: -617.138330 where: bonds (distance) C4'-P energy: -117.424 bonds (distance) P-C4' energy: -109.169 flat angles C4'-P-C4' energy: -135.121 flat angles P-C4'-P energy: -78.821 tors. eta vs tors. theta energy: -176.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1975.579175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.579175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.579175 (E_RNA) where: Base-Base interactions energy: -1367.922 where: short stacking energy: -564.847 Base-Backbone interact. energy: 3.141 local terms energy: -610.797843 where: bonds (distance) C4'-P energy: -128.281 bonds (distance) P-C4' energy: -107.555 flat angles C4'-P-C4' energy: -123.555 flat angles P-C4'-P energy: -92.829 tors. eta vs tors. theta energy: -158.577 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: 7 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1909.496652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.496652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.496652 (E_RNA) where: Base-Base interactions energy: -1326.046 where: short stacking energy: -592.288 Base-Backbone interact. energy: 1.827 local terms energy: -585.277367 where: bonds (distance) C4'-P energy: -115.729 bonds (distance) P-C4' energy: -119.907 flat angles C4'-P-C4' energy: -125.418 flat angles P-C4'-P energy: -73.189 tors. eta vs tors. theta energy: -151.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1854.974214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.974214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.974214 (E_RNA) where: Base-Base interactions energy: -1280.437 where: short stacking energy: -558.377 Base-Backbone interact. energy: -0.830 local terms energy: -573.707660 where: bonds (distance) C4'-P energy: -102.880 bonds (distance) P-C4' energy: -104.798 flat angles C4'-P-C4' energy: -132.187 flat angles P-C4'-P energy: -79.716 tors. eta vs tors. theta energy: -154.127 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: 10 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1728.944242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.944242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.944242 (E_RNA) where: Base-Base interactions energy: -1171.778 where: short stacking energy: -495.773 Base-Backbone interact. energy: -1.070 local terms energy: -556.096435 where: bonds (distance) C4'-P energy: -109.931 bonds (distance) P-C4' energy: -100.974 flat angles C4'-P-C4' energy: -120.987 flat angles P-C4'-P energy: -86.296 tors. eta vs tors. theta energy: -137.908 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: 285 Temperature: 1.200000 Total energy: -1540.373267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.373267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.373267 (E_RNA) where: Base-Base interactions energy: -1014.403 where: short stacking energy: -445.006 Base-Backbone interact. energy: -2.638 local terms energy: -523.332251 where: bonds (distance) C4'-P energy: -112.243 bonds (distance) P-C4' energy: -109.059 flat angles C4'-P-C4' energy: -112.460 flat angles P-C4'-P energy: -61.392 tors. eta vs tors. theta energy: -128.177 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: 1 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1359.337995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.337995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.337995 (E_RNA) where: Base-Base interactions energy: -898.453 where: short stacking energy: -417.844 Base-Backbone interact. energy: -1.809 local terms energy: -459.076313 where: bonds (distance) C4'-P energy: -98.224 bonds (distance) P-C4' energy: -88.374 flat angles C4'-P-C4' energy: -114.508 flat angles P-C4'-P energy: -67.472 tors. eta vs tors. theta energy: -90.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1015.554420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.554420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.554420 (E_RNA) where: Base-Base interactions energy: -594.459 where: short stacking energy: -299.109 Base-Backbone interact. energy: 1.438 local terms energy: -422.533077 where: bonds (distance) C4'-P energy: -69.294 bonds (distance) P-C4' energy: -111.985 flat angles C4'-P-C4' energy: -104.705 flat angles P-C4'-P energy: -73.534 tors. eta vs tors. theta energy: -63.015 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: 10, replica: 4 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -629.680920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.680920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.680920 (E_RNA) where: Base-Base interactions energy: -293.746 where: short stacking energy: -204.238 Base-Backbone interact. energy: -2.351 local terms energy: -333.583638 where: bonds (distance) C4'-P energy: -98.120 bonds (distance) P-C4' energy: -102.643 flat angles C4'-P-C4' energy: -99.664 flat angles P-C4'-P energy: -39.963 tors. eta vs tors. theta energy: 6.806 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: 1, replica: 2 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2175.147867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.147867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.147867 (E_RNA) where: Base-Base interactions energy: -1524.004 where: short stacking energy: -632.196 Base-Backbone interact. energy: 0.551 local terms energy: -651.694873 where: bonds (distance) C4'-P energy: -122.853 bonds (distance) P-C4' energy: -119.534 flat angles C4'-P-C4' energy: -144.400 flat angles P-C4'-P energy: -88.822 tors. eta vs tors. theta energy: -176.086 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: 3 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2109.337720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.337720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.337720 (E_RNA) where: Base-Base interactions energy: -1481.784 where: short stacking energy: -620.726 Base-Backbone interact. energy: -0.367 local terms energy: -627.185850 where: bonds (distance) C4'-P energy: -107.146 bonds (distance) P-C4' energy: -110.228 flat angles C4'-P-C4' energy: -140.221 flat angles P-C4'-P energy: -86.788 tors. eta vs tors. theta energy: -182.804 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: 5 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1981.034725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.034725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.034725 (E_RNA) where: Base-Base interactions energy: -1377.495 where: short stacking energy: -569.341 Base-Backbone interact. energy: -2.988 local terms energy: -600.551109 where: bonds (distance) C4'-P energy: -112.377 bonds (distance) P-C4' energy: -115.727 flat angles C4'-P-C4' energy: -135.519 flat angles P-C4'-P energy: -85.355 tors. eta vs tors. theta energy: -151.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1924.133825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.133825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.133825 (E_RNA) where: Base-Base interactions energy: -1317.659 where: short stacking energy: -588.124 Base-Backbone interact. energy: -0.346 local terms energy: -606.129104 where: bonds (distance) C4'-P energy: -111.099 bonds (distance) P-C4' energy: -118.610 flat angles C4'-P-C4' energy: -132.360 flat angles P-C4'-P energy: -84.596 tors. eta vs tors. theta energy: -159.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1829.558970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.558970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.558970 (E_RNA) where: Base-Base interactions energy: -1254.678 where: short stacking energy: -529.376 Base-Backbone interact. energy: -2.622 local terms energy: -572.259089 where: bonds (distance) C4'-P energy: -102.272 bonds (distance) P-C4' energy: -115.077 flat angles C4'-P-C4' energy: -118.216 flat angles P-C4'-P energy: -85.984 tors. eta vs tors. theta energy: -150.710 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: 286 Temperature: 1.150000 Total energy: -1765.075507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.075507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.075507 (E_RNA) where: Base-Base interactions energy: -1220.948 where: short stacking energy: -510.225 Base-Backbone interact. energy: -0.793 local terms energy: -543.334062 where: bonds (distance) C4'-P energy: -106.514 bonds (distance) P-C4' energy: -112.326 flat angles C4'-P-C4' energy: -99.736 flat angles P-C4'-P energy: -73.896 tors. eta vs tors. theta energy: -150.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1548.050765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.050765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.050765 (E_RNA) where: Base-Base interactions energy: -1059.057 where: short stacking energy: -500.001 Base-Backbone interact. energy: -3.065 local terms energy: -485.929036 where: bonds (distance) C4'-P energy: -103.830 bonds (distance) P-C4' energy: -95.996 flat angles C4'-P-C4' energy: -93.749 flat angles P-C4'-P energy: -73.039 tors. eta vs tors. theta energy: -119.315 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: 1 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1322.068206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.068206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.068206 (E_RNA) where: Base-Base interactions energy: -874.500 where: short stacking energy: -407.871 Base-Backbone interact. energy: 1.936 local terms energy: -449.504407 where: bonds (distance) C4'-P energy: -102.591 bonds (distance) P-C4' energy: -87.467 flat angles C4'-P-C4' energy: -102.234 flat angles P-C4'-P energy: -74.026 tors. eta vs tors. theta energy: -83.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -935.894926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.894926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.894926 (E_RNA) where: Base-Base interactions energy: -536.589 where: short stacking energy: -280.693 Base-Backbone interact. energy: -0.094 local terms energy: -399.211445 where: bonds (distance) C4'-P energy: -104.893 bonds (distance) P-C4' energy: -96.752 flat angles C4'-P-C4' energy: -92.908 flat angles P-C4'-P energy: -67.516 tors. eta vs tors. theta energy: -37.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -617.594299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.594299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.594299 (E_RNA) where: Base-Base interactions energy: -280.822 where: short stacking energy: -169.382 Base-Backbone interact. energy: -1.883 local terms energy: -334.889722 where: bonds (distance) C4'-P energy: -73.527 bonds (distance) P-C4' energy: -115.261 flat angles C4'-P-C4' energy: -76.915 flat angles P-C4'-P energy: -47.821 tors. eta vs tors. theta energy: -21.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2191.404496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.404496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.404496 (E_RNA) where: Base-Base interactions energy: -1530.590 where: short stacking energy: -643.881 Base-Backbone interact. energy: 0.244 local terms energy: -661.059024 where: bonds (distance) C4'-P energy: -130.156 bonds (distance) P-C4' energy: -121.179 flat angles C4'-P-C4' energy: -139.530 flat angles P-C4'-P energy: -86.631 tors. eta vs tors. theta energy: -183.564 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: 3 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2111.069843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.069843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.069843 (E_RNA) where: Base-Base interactions energy: -1457.730 where: short stacking energy: -627.711 Base-Backbone interact. energy: -3.125 local terms energy: -650.214380 where: bonds (distance) C4'-P energy: -121.715 bonds (distance) P-C4' energy: -126.001 flat angles C4'-P-C4' energy: -132.275 flat angles P-C4'-P energy: -85.999 tors. eta vs tors. theta energy: -184.225 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: 5 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2002.666198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.666198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.666198 (E_RNA) where: Base-Base interactions energy: -1387.614 where: short stacking energy: -570.044 Base-Backbone interact. energy: -3.332 local terms energy: -611.720050 where: bonds (distance) C4'-P energy: -119.914 bonds (distance) P-C4' energy: -123.597 flat angles C4'-P-C4' energy: -133.154 flat angles P-C4'-P energy: -79.064 tors. eta vs tors. theta energy: -155.990 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: 7 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1920.386625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.386625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.386625 (E_RNA) where: Base-Base interactions energy: -1298.666 where: short stacking energy: -552.325 Base-Backbone interact. energy: -3.726 local terms energy: -617.994261 where: bonds (distance) C4'-P energy: -124.335 bonds (distance) P-C4' energy: -120.681 flat angles C4'-P-C4' energy: -135.140 flat angles P-C4'-P energy: -82.512 tors. eta vs tors. theta energy: -155.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1830.517818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.517818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.517818 (E_RNA) where: Base-Base interactions energy: -1264.135 where: short stacking energy: -558.117 Base-Backbone interact. energy: -1.685 local terms energy: -564.697678 where: bonds (distance) C4'-P energy: -99.249 bonds (distance) P-C4' energy: -110.093 flat angles C4'-P-C4' energy: -118.403 flat angles P-C4'-P energy: -82.164 tors. eta vs tors. theta energy: -154.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1727.739270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.739270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.739270 (E_RNA) where: Base-Base interactions energy: -1204.594 where: short stacking energy: -531.190 Base-Backbone interact. energy: -3.555 local terms energy: -519.589798 where: bonds (distance) C4'-P energy: -91.840 bonds (distance) P-C4' energy: -102.089 flat angles C4'-P-C4' energy: -108.455 flat angles P-C4'-P energy: -80.792 tors. eta vs tors. theta energy: -136.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1498.198007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.198007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.198007 (E_RNA) where: Base-Base interactions energy: -1012.656 where: short stacking energy: -452.789 Base-Backbone interact. energy: -2.559 local terms energy: -482.982795 where: bonds (distance) C4'-P energy: -110.743 bonds (distance) P-C4' energy: -109.984 flat angles C4'-P-C4' energy: -90.709 flat angles P-C4'-P energy: -65.101 tors. eta vs tors. theta energy: -106.446 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: 1 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1314.848644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.848644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.848644 (E_RNA) where: Base-Base interactions energy: -873.328 where: short stacking energy: -394.738 Base-Backbone interact. energy: -1.416 local terms energy: -440.104139 where: bonds (distance) C4'-P energy: -98.754 bonds (distance) P-C4' energy: -100.829 flat angles C4'-P-C4' energy: -94.906 flat angles P-C4'-P energy: -73.035 tors. eta vs tors. theta energy: -72.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -888.501637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.501637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.501637 (E_RNA) where: Base-Base interactions energy: -520.115 where: short stacking energy: -276.130 Base-Backbone interact. energy: -0.003 local terms energy: -368.384145 where: bonds (distance) C4'-P energy: -89.980 bonds (distance) P-C4' energy: -109.987 flat angles C4'-P-C4' energy: -91.866 flat angles P-C4'-P energy: -55.119 tors. eta vs tors. theta energy: -21.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -682.067220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.067220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.067220 (E_RNA) where: Base-Base interactions energy: -359.360 where: short stacking energy: -215.995 Base-Backbone interact. energy: 1.231 local terms energy: -323.937705 where: bonds (distance) C4'-P energy: -97.934 bonds (distance) P-C4' energy: -104.713 flat angles C4'-P-C4' energy: -70.535 flat angles P-C4'-P energy: -52.498 tors. eta vs tors. theta energy: 1.743 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: 1, replica: 2 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2209.259765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.259765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.259765 (E_RNA) where: Base-Base interactions energy: -1525.121 where: short stacking energy: -646.001 Base-Backbone interact. energy: -3.021 local terms energy: -681.117584 where: bonds (distance) C4'-P energy: -126.354 bonds (distance) P-C4' energy: -128.572 flat angles C4'-P-C4' energy: -146.138 flat angles P-C4'-P energy: -99.829 tors. eta vs tors. theta energy: -180.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2130.551280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.551280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.551280 (E_RNA) where: Base-Base interactions energy: -1505.641 where: short stacking energy: -638.496 Base-Backbone interact. energy: -1.997 local terms energy: -622.913299 where: bonds (distance) C4'-P energy: -108.771 bonds (distance) P-C4' energy: -121.411 flat angles C4'-P-C4' energy: -132.631 flat angles P-C4'-P energy: -79.300 tors. eta vs tors. theta energy: -180.800 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: 3, replica: 5 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2022.037295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.037295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.037295 (E_RNA) where: Base-Base interactions energy: -1435.947 where: short stacking energy: -588.667 Base-Backbone interact. energy: -1.364 local terms energy: -584.726673 where: bonds (distance) C4'-P energy: -106.065 bonds (distance) P-C4' energy: -117.274 flat angles C4'-P-C4' energy: -131.586 flat angles P-C4'-P energy: -90.419 tors. eta vs tors. theta energy: -139.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1942.440689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.440689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.440689 (E_RNA) where: Base-Base interactions energy: -1351.220 where: short stacking energy: -585.110 Base-Backbone interact. energy: -1.306 local terms energy: -589.914680 where: bonds (distance) C4'-P energy: -104.944 bonds (distance) P-C4' energy: -109.568 flat angles C4'-P-C4' energy: -125.976 flat angles P-C4'-P energy: -84.619 tors. eta vs tors. theta energy: -164.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1834.148837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.148837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.148837 (E_RNA) where: Base-Base interactions energy: -1266.662 where: short stacking energy: -553.197 Base-Backbone interact. energy: -3.070 local terms energy: -564.417114 where: bonds (distance) C4'-P energy: -109.900 bonds (distance) P-C4' energy: -86.049 flat angles C4'-P-C4' energy: -129.144 flat angles P-C4'-P energy: -89.455 tors. eta vs tors. theta energy: -149.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1723.179217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.179217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.179217 (E_RNA) where: Base-Base interactions energy: -1205.454 where: short stacking energy: -530.578 Base-Backbone interact. energy: -0.226 local terms energy: -517.499382 where: bonds (distance) C4'-P energy: -106.984 bonds (distance) P-C4' energy: -96.249 flat angles C4'-P-C4' energy: -97.332 flat angles P-C4'-P energy: -76.414 tors. eta vs tors. theta energy: -140.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1523.798477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.798477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.798477 (E_RNA) where: Base-Base interactions energy: -1014.385 where: short stacking energy: -450.626 Base-Backbone interact. energy: -2.653 local terms energy: -506.761296 where: bonds (distance) C4'-P energy: -102.411 bonds (distance) P-C4' energy: -111.920 flat angles C4'-P-C4' energy: -108.523 flat angles P-C4'-P energy: -76.287 tors. eta vs tors. theta energy: -107.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1342.963663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.963663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.963663 (E_RNA) where: Base-Base interactions energy: -881.487 where: short stacking energy: -378.235 Base-Backbone interact. energy: 0.167 local terms energy: -461.643861 where: bonds (distance) C4'-P energy: -82.422 bonds (distance) P-C4' energy: -115.050 flat angles C4'-P-C4' energy: -121.884 flat angles P-C4'-P energy: -54.985 tors. eta vs tors. theta energy: -87.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -950.495127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.495127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.495127 (E_RNA) where: Base-Base interactions energy: -519.112 where: short stacking energy: -266.421 Base-Backbone interact. energy: -3.443 local terms energy: -427.939873 where: bonds (distance) C4'-P energy: -118.131 bonds (distance) P-C4' energy: -94.937 flat angles C4'-P-C4' energy: -99.193 flat angles P-C4'-P energy: -58.724 tors. eta vs tors. theta energy: -56.954 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: 4 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -703.486378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.486378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.486378 (E_RNA) where: Base-Base interactions energy: -357.851 where: short stacking energy: -212.883 Base-Backbone interact. energy: 3.468 local terms energy: -349.103882 where: bonds (distance) C4'-P energy: -93.562 bonds (distance) P-C4' energy: -119.797 flat angles C4'-P-C4' energy: -83.505 flat angles P-C4'-P energy: -46.468 tors. eta vs tors. theta energy: -5.772 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: 2 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2184.062131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.062131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.062131 (E_RNA) where: Base-Base interactions energy: -1534.491 where: short stacking energy: -649.483 Base-Backbone interact. energy: -2.815 local terms energy: -646.756408 where: bonds (distance) C4'-P energy: -112.347 bonds (distance) P-C4' energy: -132.996 flat angles C4'-P-C4' energy: -133.648 flat angles P-C4'-P energy: -86.543 tors. eta vs tors. theta energy: -181.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2137.921195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.921195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.921195 (E_RNA) where: Base-Base interactions energy: -1513.023 where: short stacking energy: -628.513 Base-Backbone interact. energy: -2.147 local terms energy: -622.750474 where: bonds (distance) C4'-P energy: -111.466 bonds (distance) P-C4' energy: -111.806 flat angles C4'-P-C4' energy: -136.963 flat angles P-C4'-P energy: -80.967 tors. eta vs tors. theta energy: -181.548 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: 3, replica: 5 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2024.604410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.604410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.604410 (E_RNA) where: Base-Base interactions energy: -1437.555 where: short stacking energy: -569.264 Base-Backbone interact. energy: -2.469 local terms energy: -584.580758 where: bonds (distance) C4'-P energy: -113.314 bonds (distance) P-C4' energy: -102.583 flat angles C4'-P-C4' energy: -134.409 flat angles P-C4'-P energy: -90.874 tors. eta vs tors. theta energy: -143.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1878.677029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.677029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.677029 (E_RNA) where: Base-Base interactions energy: -1301.130 where: short stacking energy: -561.059 Base-Backbone interact. energy: -4.306 local terms energy: -573.241866 where: bonds (distance) C4'-P energy: -99.277 bonds (distance) P-C4' energy: -107.160 flat angles C4'-P-C4' energy: -129.469 flat angles P-C4'-P energy: -76.362 tors. eta vs tors. theta energy: -160.974 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: 8 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1815.848575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.848575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.848575 (E_RNA) where: Base-Base interactions energy: -1232.320 where: short stacking energy: -533.750 Base-Backbone interact. energy: -1.012 local terms energy: -582.515988 where: bonds (distance) C4'-P energy: -115.327 bonds (distance) P-C4' energy: -104.256 flat angles C4'-P-C4' energy: -137.055 flat angles P-C4'-P energy: -71.855 tors. eta vs tors. theta energy: -154.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1748.436842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.436842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.436842 (E_RNA) where: Base-Base interactions energy: -1208.713 where: short stacking energy: -496.279 Base-Backbone interact. energy: -3.459 local terms energy: -536.264467 where: bonds (distance) C4'-P energy: -104.045 bonds (distance) P-C4' energy: -111.024 flat angles C4'-P-C4' energy: -102.407 flat angles P-C4'-P energy: -84.211 tors. eta vs tors. theta energy: -134.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1519.707881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.707881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.707881 (E_RNA) where: Base-Base interactions energy: -993.320 where: short stacking energy: -434.798 Base-Backbone interact. energy: -1.347 local terms energy: -525.040834 where: bonds (distance) C4'-P energy: -113.198 bonds (distance) P-C4' energy: -97.040 flat angles C4'-P-C4' energy: -114.460 flat angles P-C4'-P energy: -93.796 tors. eta vs tors. theta energy: -106.546 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: 1 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1357.728994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.728994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.728994 (E_RNA) where: Base-Base interactions energy: -903.883 where: short stacking energy: -387.247 Base-Backbone interact. energy: -2.165 local terms energy: -451.680529 where: bonds (distance) C4'-P energy: -113.060 bonds (distance) P-C4' energy: -85.796 flat angles C4'-P-C4' energy: -115.201 flat angles P-C4'-P energy: -65.335 tors. eta vs tors. theta energy: -72.289 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: 289 Temperature: 1.300000 Total energy: -956.962455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.962455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.962455 (E_RNA) where: Base-Base interactions energy: -581.132 where: short stacking energy: -257.756 Base-Backbone interact. energy: 1.473 local terms energy: -377.303068 where: bonds (distance) C4'-P energy: -97.191 bonds (distance) P-C4' energy: -107.653 flat angles C4'-P-C4' energy: -89.502 flat angles P-C4'-P energy: -65.198 tors. eta vs tors. theta energy: -17.758 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: 4 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -684.637250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.637250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.637250 (E_RNA) where: Base-Base interactions energy: -347.379 where: short stacking energy: -206.126 Base-Backbone interact. energy: 1.226 local terms energy: -338.483956 where: bonds (distance) C4'-P energy: -98.986 bonds (distance) P-C4' energy: -98.455 flat angles C4'-P-C4' energy: -98.305 flat angles P-C4'-P energy: -46.625 tors. eta vs tors. theta energy: 3.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2195.096055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.096055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.096055 (E_RNA) where: Base-Base interactions energy: -1539.749 where: short stacking energy: -645.983 Base-Backbone interact. energy: -2.119 local terms energy: -653.227991 where: bonds (distance) C4'-P energy: -124.690 bonds (distance) P-C4' energy: -124.266 flat angles C4'-P-C4' energy: -147.235 flat angles P-C4'-P energy: -84.685 tors. eta vs tors. theta energy: -172.352 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: 3 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2137.219624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.219624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.219624 (E_RNA) where: Base-Base interactions energy: -1509.801 where: short stacking energy: -634.800 Base-Backbone interact. energy: 1.992 local terms energy: -629.410359 where: bonds (distance) C4'-P energy: -110.043 bonds (distance) P-C4' energy: -126.721 flat angles C4'-P-C4' energy: -132.255 flat angles P-C4'-P energy: -85.002 tors. eta vs tors. theta energy: -175.390 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: 5 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2023.846622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.846622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.846622 (E_RNA) where: Base-Base interactions energy: -1406.743 where: short stacking energy: -550.035 Base-Backbone interact. energy: -4.741 local terms energy: -612.362287 where: bonds (distance) C4'-P energy: -121.227 bonds (distance) P-C4' energy: -127.100 flat angles C4'-P-C4' energy: -134.933 flat angles P-C4'-P energy: -86.621 tors. eta vs tors. theta energy: -142.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1939.640537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.640537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.640537 (E_RNA) where: Base-Base interactions energy: -1329.444 where: short stacking energy: -580.667 Base-Backbone interact. energy: -3.094 local terms energy: -607.102664 where: bonds (distance) C4'-P energy: -110.625 bonds (distance) P-C4' energy: -115.132 flat angles C4'-P-C4' energy: -137.588 flat angles P-C4'-P energy: -82.724 tors. eta vs tors. theta energy: -161.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1768.679300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.679300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.679300 (E_RNA) where: Base-Base interactions energy: -1227.852 where: short stacking energy: -532.570 Base-Backbone interact. energy: -3.412 local terms energy: -537.415743 where: bonds (distance) C4'-P energy: -88.552 bonds (distance) P-C4' energy: -111.986 flat angles C4'-P-C4' energy: -117.119 flat angles P-C4'-P energy: -78.709 tors. eta vs tors. theta energy: -141.050 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: 10 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1719.209567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.209567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.209567 (E_RNA) where: Base-Base interactions energy: -1177.343 where: short stacking energy: -500.731 Base-Backbone interact. energy: -2.504 local terms energy: -539.361927 where: bonds (distance) C4'-P energy: -91.728 bonds (distance) P-C4' energy: -122.045 flat angles C4'-P-C4' energy: -119.625 flat angles P-C4'-P energy: -77.542 tors. eta vs tors. theta energy: -128.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1541.530178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.530178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.530178 (E_RNA) where: Base-Base interactions energy: -1012.122 where: short stacking energy: -471.164 Base-Backbone interact. energy: 2.698 local terms energy: -532.105742 where: bonds (distance) C4'-P energy: -97.380 bonds (distance) P-C4' energy: -109.960 flat angles C4'-P-C4' energy: -119.718 flat angles P-C4'-P energy: -79.042 tors. eta vs tors. theta energy: -126.005 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: 1 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1349.256134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.256134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.256134 (E_RNA) where: Base-Base interactions energy: -887.674 where: short stacking energy: -402.868 Base-Backbone interact. energy: 1.958 local terms energy: -463.539990 where: bonds (distance) C4'-P energy: -98.040 bonds (distance) P-C4' energy: -104.959 flat angles C4'-P-C4' energy: -103.874 flat angles P-C4'-P energy: -60.880 tors. eta vs tors. theta energy: -95.788 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: 290 Temperature: 1.300000 Total energy: -1022.711866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.711866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.711866 (E_RNA) where: Base-Base interactions energy: -615.308 where: short stacking energy: -316.531 Base-Backbone interact. energy: 2.712 local terms energy: -410.116331 where: bonds (distance) C4'-P energy: -99.998 bonds (distance) P-C4' energy: -102.443 flat angles C4'-P-C4' energy: -104.065 flat angles P-C4'-P energy: -57.592 tors. eta vs tors. theta energy: -46.019 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: 4 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -690.161397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.161397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.161397 (E_RNA) where: Base-Base interactions energy: -343.776 where: short stacking energy: -213.814 Base-Backbone interact. energy: -0.420 local terms energy: -345.964487 where: bonds (distance) C4'-P energy: -104.670 bonds (distance) P-C4' energy: -113.458 flat angles C4'-P-C4' energy: -74.951 flat angles P-C4'-P energy: -53.335 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: 1, replica: 2 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2188.226677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.226677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.226677 (E_RNA) where: Base-Base interactions energy: -1523.376 where: short stacking energy: -645.875 Base-Backbone interact. energy: -2.128 local terms energy: -662.722309 where: bonds (distance) C4'-P energy: -124.102 bonds (distance) P-C4' energy: -129.953 flat angles C4'-P-C4' energy: -143.530 flat angles P-C4'-P energy: -88.090 tors. eta vs tors. theta energy: -177.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2166.074055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.074055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.074055 (E_RNA) where: Base-Base interactions energy: -1504.230 where: short stacking energy: -628.394 Base-Backbone interact. energy: -7.077 local terms energy: -654.767776 where: bonds (distance) C4'-P energy: -120.539 bonds (distance) P-C4' energy: -120.438 flat angles C4'-P-C4' energy: -141.130 flat angles P-C4'-P energy: -93.953 tors. eta vs tors. theta energy: -178.707 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: 3, replica: 5 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2042.634664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.634664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.634664 (E_RNA) where: Base-Base interactions energy: -1437.097 where: short stacking energy: -589.085 Base-Backbone interact. energy: 0.034 local terms energy: -605.571209 where: bonds (distance) C4'-P energy: -113.077 bonds (distance) P-C4' energy: -107.526 flat angles C4'-P-C4' energy: -131.390 flat angles P-C4'-P energy: -88.274 tors. eta vs tors. theta energy: -165.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1892.351617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.351617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.351617 (E_RNA) where: Base-Base interactions energy: -1293.210 where: short stacking energy: -555.835 Base-Backbone interact. energy: 0.030 local terms energy: -599.171758 where: bonds (distance) C4'-P energy: -111.693 bonds (distance) P-C4' energy: -129.452 flat angles C4'-P-C4' energy: -128.754 flat angles P-C4'-P energy: -72.610 tors. eta vs tors. theta energy: -156.663 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: 8 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1816.880760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.880760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.880760 (E_RNA) where: Base-Base interactions energy: -1249.731 where: short stacking energy: -537.575 Base-Backbone interact. energy: -1.902 local terms energy: -565.247565 where: bonds (distance) C4'-P energy: -103.048 bonds (distance) P-C4' energy: -108.471 flat angles C4'-P-C4' energy: -127.382 flat angles P-C4'-P energy: -81.131 tors. eta vs tors. theta energy: -145.216 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: 10 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1737.577561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.577561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.577561 (E_RNA) where: Base-Base interactions energy: -1190.892 where: short stacking energy: -499.776 Base-Backbone interact. energy: -0.211 local terms energy: -546.474340 where: bonds (distance) C4'-P energy: -95.580 bonds (distance) P-C4' energy: -108.966 flat angles C4'-P-C4' energy: -121.414 flat angles P-C4'-P energy: -77.499 tors. eta vs tors. theta energy: -143.015 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: 6 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1554.865814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.865814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.865814 (E_RNA) where: Base-Base interactions energy: -1053.480 where: short stacking energy: -480.766 Base-Backbone interact. energy: -3.585 local terms energy: -497.800949 where: bonds (distance) C4'-P energy: -101.110 bonds (distance) P-C4' energy: -98.673 flat angles C4'-P-C4' energy: -112.131 flat angles P-C4'-P energy: -68.175 tors. eta vs tors. theta energy: -117.713 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: 1 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1370.157816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.157816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.157816 (E_RNA) where: Base-Base interactions energy: -886.394 where: short stacking energy: -420.001 Base-Backbone interact. energy: -1.066 local terms energy: -482.697683 where: bonds (distance) C4'-P energy: -117.472 bonds (distance) P-C4' energy: -106.757 flat angles C4'-P-C4' energy: -117.736 flat angles P-C4'-P energy: -65.548 tors. eta vs tors. theta energy: -75.185 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: 9, replica: 9 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -973.507058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.507058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.507058 (E_RNA) where: Base-Base interactions energy: -557.849 where: short stacking energy: -280.513 Base-Backbone interact. energy: 0.966 local terms energy: -416.624556 where: bonds (distance) C4'-P energy: -107.565 bonds (distance) P-C4' energy: -96.117 flat angles C4'-P-C4' energy: -96.686 flat angles P-C4'-P energy: -70.914 tors. eta vs tors. theta energy: -45.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -663.784298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.784298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.784298 (E_RNA) where: Base-Base interactions energy: -313.692 where: short stacking energy: -204.667 Base-Backbone interact. energy: -0.869 local terms energy: -349.223838 where: bonds (distance) C4'-P energy: -102.624 bonds (distance) P-C4' energy: -110.903 flat angles C4'-P-C4' energy: -90.772 flat angles P-C4'-P energy: -41.542 tors. eta vs tors. theta energy: -3.383 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: 292 Temperature: 0.900000 Total energy: -2202.563298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.563298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.563298 (E_RNA) where: Base-Base interactions energy: -1522.796 where: short stacking energy: -644.437 Base-Backbone interact. energy: -3.012 local terms energy: -676.755178 where: bonds (distance) C4'-P energy: -131.478 bonds (distance) P-C4' energy: -138.070 flat angles C4'-P-C4' energy: -138.164 flat angles P-C4'-P energy: -86.919 tors. eta vs tors. theta energy: -182.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2172.090557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.090557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.090557 (E_RNA) where: Base-Base interactions energy: -1505.435 where: short stacking energy: -643.023 Base-Backbone interact. energy: -3.133 local terms energy: -663.522906 where: bonds (distance) C4'-P energy: -127.503 bonds (distance) P-C4' energy: -122.323 flat angles C4'-P-C4' energy: -130.655 flat angles P-C4'-P energy: -94.897 tors. eta vs tors. theta energy: -188.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2053.109906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.109906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.109906 (E_RNA) where: Base-Base interactions energy: -1453.606 where: short stacking energy: -604.117 Base-Backbone interact. energy: 4.136 local terms energy: -603.640358 where: bonds (distance) C4'-P energy: -110.034 bonds (distance) P-C4' energy: -110.690 flat angles C4'-P-C4' energy: -131.583 flat angles P-C4'-P energy: -84.055 tors. eta vs tors. theta energy: -167.279 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: 4, replica: 7 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1902.828488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.828488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.828488 (E_RNA) where: Base-Base interactions energy: -1320.400 where: short stacking energy: -562.994 Base-Backbone interact. energy: -2.322 local terms energy: -580.107240 where: bonds (distance) C4'-P energy: -103.405 bonds (distance) P-C4' energy: -116.864 flat angles C4'-P-C4' energy: -133.886 flat angles P-C4'-P energy: -67.853 tors. eta vs tors. theta energy: -158.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1826.360936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.360936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.360936 (E_RNA) where: Base-Base interactions energy: -1252.061 where: short stacking energy: -553.306 Base-Backbone interact. energy: 3.061 local terms energy: -577.361210 where: bonds (distance) C4'-P energy: -98.657 bonds (distance) P-C4' energy: -112.464 flat angles C4'-P-C4' energy: -127.584 flat angles P-C4'-P energy: -84.359 tors. eta vs tors. theta energy: -154.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1750.753126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.753126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.753126 (E_RNA) where: Base-Base interactions energy: -1160.602 where: short stacking energy: -504.942 Base-Backbone interact. energy: -0.271 local terms energy: -589.879691 where: bonds (distance) C4'-P energy: -111.857 bonds (distance) P-C4' energy: -109.040 flat angles C4'-P-C4' energy: -129.967 flat angles P-C4'-P energy: -84.567 tors. eta vs tors. theta energy: -154.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1578.160203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.160203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.160203 (E_RNA) where: Base-Base interactions energy: -1056.423 where: short stacking energy: -478.396 Base-Backbone interact. energy: -2.802 local terms energy: -518.935422 where: bonds (distance) C4'-P energy: -96.665 bonds (distance) P-C4' energy: -110.247 flat angles C4'-P-C4' energy: -115.386 flat angles P-C4'-P energy: -75.265 tors. eta vs tors. theta energy: -121.372 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: 8, replica: 1 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1402.734160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.734160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.734160 (E_RNA) where: Base-Base interactions energy: -929.894 where: short stacking energy: -410.301 Base-Backbone interact. energy: 1.460 local terms energy: -474.300441 where: bonds (distance) C4'-P energy: -97.334 bonds (distance) P-C4' energy: -107.833 flat angles C4'-P-C4' energy: -102.243 flat angles P-C4'-P energy: -71.236 tors. eta vs tors. theta energy: -95.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -915.672763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.672763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.672763 (E_RNA) where: Base-Base interactions energy: -510.415 where: short stacking energy: -261.778 Base-Backbone interact. energy: -1.965 local terms energy: -403.292826 where: bonds (distance) C4'-P energy: -110.761 bonds (distance) P-C4' energy: -93.817 flat angles C4'-P-C4' energy: -102.186 flat angles P-C4'-P energy: -64.886 tors. eta vs tors. theta energy: -31.643 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: 10, replica: 4 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -676.411192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.411192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.411192 (E_RNA) where: Base-Base interactions energy: -324.905 where: short stacking energy: -193.546 Base-Backbone interact. energy: 1.385 local terms energy: -352.891896 where: bonds (distance) C4'-P energy: -110.521 bonds (distance) P-C4' energy: -120.637 flat angles C4'-P-C4' energy: -85.077 flat angles P-C4'-P energy: -42.427 tors. eta vs tors. theta energy: 5.770 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: 2 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2214.113101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.113101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.113101 (E_RNA) where: Base-Base interactions energy: -1548.031 where: short stacking energy: -657.363 Base-Backbone interact. energy: -2.476 local terms energy: -663.606631 where: bonds (distance) C4'-P energy: -130.791 bonds (distance) P-C4' energy: -126.926 flat angles C4'-P-C4' energy: -140.851 flat angles P-C4'-P energy: -87.204 tors. eta vs tors. theta energy: -177.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2130.250231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.250231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.250231 (E_RNA) where: Base-Base interactions energy: -1498.054 where: short stacking energy: -618.984 Base-Backbone interact. energy: -3.672 local terms energy: -628.524083 where: bonds (distance) C4'-P energy: -115.883 bonds (distance) P-C4' energy: -115.961 flat angles C4'-P-C4' energy: -143.465 flat angles P-C4'-P energy: -79.333 tors. eta vs tors. theta energy: -173.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2016.358938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.358938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.358938 (E_RNA) where: Base-Base interactions energy: -1419.899 where: short stacking energy: -564.465 Base-Backbone interact. energy: -1.271 local terms energy: -595.188876 where: bonds (distance) C4'-P energy: -124.902 bonds (distance) P-C4' energy: -117.986 flat angles C4'-P-C4' energy: -123.012 flat angles P-C4'-P energy: -86.106 tors. eta vs tors. theta energy: -143.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1913.485882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.485882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.485882 (E_RNA) where: Base-Base interactions energy: -1309.694 where: short stacking energy: -597.638 Base-Backbone interact. energy: -3.095 local terms energy: -600.695993 where: bonds (distance) C4'-P energy: -116.901 bonds (distance) P-C4' energy: -115.477 flat angles C4'-P-C4' energy: -128.468 flat angles P-C4'-P energy: -76.692 tors. eta vs tors. theta energy: -163.158 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: 8 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1827.302635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.302635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.302635 (E_RNA) where: Base-Base interactions energy: -1248.736 where: short stacking energy: -541.036 Base-Backbone interact. energy: -1.260 local terms energy: -577.307225 where: bonds (distance) C4'-P energy: -109.756 bonds (distance) P-C4' energy: -111.946 flat angles C4'-P-C4' energy: -126.846 flat angles P-C4'-P energy: -84.945 tors. eta vs tors. theta energy: -143.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1783.191767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.191767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.191767 (E_RNA) where: Base-Base interactions energy: -1228.568 where: short stacking energy: -536.826 Base-Backbone interact. energy: -3.950 local terms energy: -550.674454 where: bonds (distance) C4'-P energy: -100.411 bonds (distance) P-C4' energy: -116.951 flat angles C4'-P-C4' energy: -111.833 flat angles P-C4'-P energy: -73.507 tors. eta vs tors. theta energy: -147.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1575.097085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.097085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.097085 (E_RNA) where: Base-Base interactions energy: -1110.554 where: short stacking energy: -456.584 Base-Backbone interact. energy: 7.448 local terms energy: -471.991478 where: bonds (distance) C4'-P energy: -96.003 bonds (distance) P-C4' energy: -98.175 flat angles C4'-P-C4' energy: -105.842 flat angles P-C4'-P energy: -52.389 tors. eta vs tors. theta energy: -119.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1354.815344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.815344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.815344 (E_RNA) where: Base-Base interactions energy: -873.603 where: short stacking energy: -407.893 Base-Backbone interact. energy: -0.211 local terms energy: -481.001546 where: bonds (distance) C4'-P energy: -125.109 bonds (distance) P-C4' energy: -88.192 flat angles C4'-P-C4' energy: -101.753 flat angles P-C4'-P energy: -79.823 tors. eta vs tors. theta energy: -86.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -955.900348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.900348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.900348 (E_RNA) where: Base-Base interactions energy: -518.305 where: short stacking energy: -270.767 Base-Backbone interact. energy: -1.023 local terms energy: -436.572548 where: bonds (distance) C4'-P energy: -101.386 bonds (distance) P-C4' energy: -110.922 flat angles C4'-P-C4' energy: -118.888 flat angles P-C4'-P energy: -65.077 tors. eta vs tors. theta energy: -40.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -712.882312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.882312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.882312 (E_RNA) where: Base-Base interactions energy: -372.404 where: short stacking energy: -221.152 Base-Backbone interact. energy: 3.813 local terms energy: -344.291095 where: bonds (distance) C4'-P energy: -111.652 bonds (distance) P-C4' energy: -111.199 flat angles C4'-P-C4' energy: -80.584 flat angles P-C4'-P energy: -39.735 tors. eta vs tors. theta energy: -1.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2188.477360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.477360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.477360 (E_RNA) where: Base-Base interactions energy: -1540.910 where: short stacking energy: -643.987 Base-Backbone interact. energy: 0.974 local terms energy: -648.541343 where: bonds (distance) C4'-P energy: -120.163 bonds (distance) P-C4' energy: -121.405 flat angles C4'-P-C4' energy: -146.317 flat angles P-C4'-P energy: -91.322 tors. eta vs tors. theta energy: -169.335 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: 3 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2119.691980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.691980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.691980 (E_RNA) where: Base-Base interactions energy: -1508.413 where: short stacking energy: -614.670 Base-Backbone interact. energy: -7.367 local terms energy: -603.912197 where: bonds (distance) C4'-P energy: -116.553 bonds (distance) P-C4' energy: -103.569 flat angles C4'-P-C4' energy: -133.167 flat angles P-C4'-P energy: -73.538 tors. eta vs tors. theta energy: -177.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2053.340425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.340425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.340425 (E_RNA) where: Base-Base interactions energy: -1438.380 where: short stacking energy: -579.205 Base-Backbone interact. energy: -3.629 local terms energy: -611.330999 where: bonds (distance) C4'-P energy: -117.336 bonds (distance) P-C4' energy: -115.153 flat angles C4'-P-C4' energy: -134.178 flat angles P-C4'-P energy: -90.234 tors. eta vs tors. theta energy: -154.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1894.255422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.255422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.255422 (E_RNA) where: Base-Base interactions energy: -1331.046 where: short stacking energy: -549.401 Base-Backbone interact. energy: -1.303 local terms energy: -561.906326 where: bonds (distance) C4'-P energy: -106.399 bonds (distance) P-C4' energy: -108.083 flat angles C4'-P-C4' energy: -132.014 flat angles P-C4'-P energy: -68.924 tors. eta vs tors. theta energy: -146.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1850.746622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.746622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.746622 (E_RNA) where: Base-Base interactions energy: -1278.766 where: short stacking energy: -544.175 Base-Backbone interact. energy: -3.803 local terms energy: -568.177474 where: bonds (distance) C4'-P energy: -103.111 bonds (distance) P-C4' energy: -120.008 flat angles C4'-P-C4' energy: -124.295 flat angles P-C4'-P energy: -63.152 tors. eta vs tors. theta energy: -157.612 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: 10 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1784.570252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.570252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.570252 (E_RNA) where: Base-Base interactions energy: -1242.290 where: short stacking energy: -531.953 Base-Backbone interact. energy: 2.054 local terms energy: -544.334108 where: bonds (distance) C4'-P energy: -100.323 bonds (distance) P-C4' energy: -107.197 flat angles C4'-P-C4' energy: -124.703 flat angles P-C4'-P energy: -68.252 tors. eta vs tors. theta energy: -143.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1673.379637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.379637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.379637 (E_RNA) where: Base-Base interactions energy: -1126.086 where: short stacking energy: -523.045 Base-Backbone interact. energy: 1.980 local terms energy: -549.273199 where: bonds (distance) C4'-P energy: -100.209 bonds (distance) P-C4' energy: -94.748 flat angles C4'-P-C4' energy: -122.696 flat angles P-C4'-P energy: -78.299 tors. eta vs tors. theta energy: -153.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1324.500820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.500820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.500820 (E_RNA) where: Base-Base interactions energy: -848.104 where: short stacking energy: -371.756 Base-Backbone interact. energy: -2.171 local terms energy: -474.224852 where: bonds (distance) C4'-P energy: -108.262 bonds (distance) P-C4' energy: -104.799 flat angles C4'-P-C4' energy: -118.833 flat angles P-C4'-P energy: -67.374 tors. eta vs tors. theta energy: -74.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -924.994851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.994851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.994851 (E_RNA) where: Base-Base interactions energy: -534.861 where: short stacking energy: -274.908 Base-Backbone interact. energy: -1.098 local terms energy: -389.036705 where: bonds (distance) C4'-P energy: -84.912 bonds (distance) P-C4' energy: -109.186 flat angles C4'-P-C4' energy: -97.807 flat angles P-C4'-P energy: -59.116 tors. eta vs tors. theta energy: -38.015 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: 10, replica: 4 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -676.601144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.601144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.601144 (E_RNA) where: Base-Base interactions energy: -329.213 where: short stacking energy: -211.694 Base-Backbone interact. energy: 2.939 local terms energy: -350.326738 where: bonds (distance) C4'-P energy: -102.178 bonds (distance) P-C4' energy: -101.286 flat angles C4'-P-C4' energy: -82.454 flat angles P-C4'-P energy: -59.978 tors. eta vs tors. theta energy: -4.431 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: 2 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2159.127438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.127438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.127438 (E_RNA) where: Base-Base interactions energy: -1501.663 where: short stacking energy: -619.503 Base-Backbone interact. energy: -1.946 local terms energy: -655.518556 where: bonds (distance) C4'-P energy: -130.565 bonds (distance) P-C4' energy: -137.356 flat angles C4'-P-C4' energy: -126.410 flat angles P-C4'-P energy: -86.031 tors. eta vs tors. theta energy: -175.156 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: 3 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2121.690311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.690311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.690311 (E_RNA) where: Base-Base interactions energy: -1496.599 where: short stacking energy: -617.527 Base-Backbone interact. energy: -3.361 local terms energy: -621.730538 where: bonds (distance) C4'-P energy: -113.005 bonds (distance) P-C4' energy: -118.455 flat angles C4'-P-C4' energy: -123.571 flat angles P-C4'-P energy: -90.435 tors. eta vs tors. theta energy: -176.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2076.023785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.023785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.023785 (E_RNA) where: Base-Base interactions energy: -1472.335 where: short stacking energy: -584.830 Base-Backbone interact. energy: -3.228 local terms energy: -600.460447 where: bonds (distance) C4'-P energy: -117.533 bonds (distance) P-C4' energy: -119.444 flat angles C4'-P-C4' energy: -130.172 flat angles P-C4'-P energy: -87.130 tors. eta vs tors. theta energy: -146.182 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: 8 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1903.724147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.724147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.724147 (E_RNA) where: Base-Base interactions energy: -1334.421 where: short stacking energy: -558.670 Base-Backbone interact. energy: -0.768 local terms energy: -568.535036 where: bonds (distance) C4'-P energy: -103.682 bonds (distance) P-C4' energy: -108.887 flat angles C4'-P-C4' energy: -124.912 flat angles P-C4'-P energy: -77.964 tors. eta vs tors. theta energy: -153.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1882.339995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.339995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.339995 (E_RNA) where: Base-Base interactions energy: -1311.289 where: short stacking energy: -558.724 Base-Backbone interact. energy: -1.221 local terms energy: -569.829615 where: bonds (distance) C4'-P energy: -98.189 bonds (distance) P-C4' energy: -108.452 flat angles C4'-P-C4' energy: -130.792 flat angles P-C4'-P energy: -72.247 tors. eta vs tors. theta energy: -160.151 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: 6, replica: 10 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1766.377435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.377435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.377435 (E_RNA) where: Base-Base interactions energy: -1209.223 where: short stacking energy: -508.896 Base-Backbone interact. energy: -0.215 local terms energy: -556.938859 where: bonds (distance) C4'-P energy: -109.925 bonds (distance) P-C4' energy: -111.273 flat angles C4'-P-C4' energy: -118.439 flat angles P-C4'-P energy: -75.079 tors. eta vs tors. theta energy: -142.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1631.071527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.071527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.071527 (E_RNA) where: Base-Base interactions energy: -1108.258 where: short stacking energy: -469.200 Base-Backbone interact. energy: 0.353 local terms energy: -523.167125 where: bonds (distance) C4'-P energy: -101.346 bonds (distance) P-C4' energy: -99.885 flat angles C4'-P-C4' energy: -122.071 flat angles P-C4'-P energy: -82.039 tors. eta vs tors. theta energy: -117.826 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: 1 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1394.580737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.580737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.580737 (E_RNA) where: Base-Base interactions energy: -917.460 where: short stacking energy: -423.474 Base-Backbone interact. energy: -2.700 local terms energy: -474.420916 where: bonds (distance) C4'-P energy: -100.960 bonds (distance) P-C4' energy: -92.007 flat angles C4'-P-C4' energy: -114.525 flat angles P-C4'-P energy: -75.061 tors. eta vs tors. theta energy: -91.869 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: 9 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -926.563758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.563758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.563758 (E_RNA) where: Base-Base interactions energy: -534.320 where: short stacking energy: -291.208 Base-Backbone interact. energy: -0.074 local terms energy: -392.169421 where: bonds (distance) C4'-P energy: -86.972 bonds (distance) P-C4' energy: -92.777 flat angles C4'-P-C4' energy: -108.681 flat angles P-C4'-P energy: -56.450 tors. eta vs tors. theta energy: -47.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -683.213511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.213511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.213511 (E_RNA) where: Base-Base interactions energy: -345.588 where: short stacking energy: -208.269 Base-Backbone interact. energy: 0.558 local terms energy: -338.183449 where: bonds (distance) C4'-P energy: -106.662 bonds (distance) P-C4' energy: -105.359 flat angles C4'-P-C4' energy: -80.763 flat angles P-C4'-P energy: -52.750 tors. eta vs tors. theta energy: 7.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2164.560519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.560519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.560519 (E_RNA) where: Base-Base interactions energy: -1498.659 where: short stacking energy: -628.259 Base-Backbone interact. energy: -4.463 local terms energy: -661.438802 where: bonds (distance) C4'-P energy: -134.414 bonds (distance) P-C4' energy: -122.784 flat angles C4'-P-C4' energy: -131.779 flat angles P-C4'-P energy: -91.205 tors. eta vs tors. theta energy: -181.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2119.388446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.388446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.388446 (E_RNA) where: Base-Base interactions energy: -1488.313 where: short stacking energy: -599.239 Base-Backbone interact. energy: -2.573 local terms energy: -628.502782 where: bonds (distance) C4'-P energy: -121.503 bonds (distance) P-C4' energy: -112.367 flat angles C4'-P-C4' energy: -136.180 flat angles P-C4'-P energy: -94.279 tors. eta vs tors. theta energy: -164.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2074.970760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.970760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.970760 (E_RNA) where: Base-Base interactions energy: -1490.610 where: short stacking energy: -587.820 Base-Backbone interact. energy: -0.176 local terms energy: -584.184988 where: bonds (distance) C4'-P energy: -107.240 bonds (distance) P-C4' energy: -97.334 flat angles C4'-P-C4' energy: -143.075 flat angles P-C4'-P energy: -79.148 tors. eta vs tors. theta energy: -157.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1893.436296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.436296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.436296 (E_RNA) where: Base-Base interactions energy: -1292.578 where: short stacking energy: -570.270 Base-Backbone interact. energy: -2.308 local terms energy: -598.550645 where: bonds (distance) C4'-P energy: -107.332 bonds (distance) P-C4' energy: -121.254 flat angles C4'-P-C4' energy: -128.683 flat angles P-C4'-P energy: -95.662 tors. eta vs tors. theta energy: -145.620 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: 7 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1876.491122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.491122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.491122 (E_RNA) where: Base-Base interactions energy: -1293.798 where: short stacking energy: -561.571 Base-Backbone interact. energy: -5.036 local terms energy: -577.657058 where: bonds (distance) C4'-P energy: -99.124 bonds (distance) P-C4' energy: -109.282 flat angles C4'-P-C4' energy: -127.257 flat angles P-C4'-P energy: -83.369 tors. eta vs tors. theta energy: -158.624 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: 10 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1780.228506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.228506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.228506 (E_RNA) where: Base-Base interactions energy: -1190.068 where: short stacking energy: -490.857 Base-Backbone interact. energy: -1.287 local terms energy: -588.873292 where: bonds (distance) C4'-P energy: -103.951 bonds (distance) P-C4' energy: -125.677 flat angles C4'-P-C4' energy: -124.345 flat angles P-C4'-P energy: -84.957 tors. eta vs tors. theta energy: -149.943 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: 6 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1570.031421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.031421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.031421 (E_RNA) where: Base-Base interactions energy: -1049.995 where: short stacking energy: -484.875 Base-Backbone interact. energy: -1.578 local terms energy: -518.458199 where: bonds (distance) C4'-P energy: -96.033 bonds (distance) P-C4' energy: -100.527 flat angles C4'-P-C4' energy: -117.335 flat angles P-C4'-P energy: -78.422 tors. eta vs tors. theta energy: -126.141 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: 1 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1314.614505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.614505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.614505 (E_RNA) where: Base-Base interactions energy: -886.127 where: short stacking energy: -391.819 Base-Backbone interact. energy: 0.978 local terms energy: -429.466118 where: bonds (distance) C4'-P energy: -90.488 bonds (distance) P-C4' energy: -106.227 flat angles C4'-P-C4' energy: -107.604 flat angles P-C4'-P energy: -61.427 tors. eta vs tors. theta energy: -63.720 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: 9, replica: 9 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -964.019543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.019543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.019543 (E_RNA) where: Base-Base interactions energy: -581.271 where: short stacking energy: -294.811 Base-Backbone interact. energy: 1.687 local terms energy: -384.434826 where: bonds (distance) C4'-P energy: -106.753 bonds (distance) P-C4' energy: -97.052 flat angles C4'-P-C4' energy: -73.707 flat angles P-C4'-P energy: -54.676 tors. eta vs tors. theta energy: -52.247 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: 4 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -695.065324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.065324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.065324 (E_RNA) where: Base-Base interactions energy: -398.808 where: short stacking energy: -240.268 Base-Backbone interact. energy: 0.224 local terms energy: -296.480857 where: bonds (distance) C4'-P energy: -86.205 bonds (distance) P-C4' energy: -72.564 flat angles C4'-P-C4' energy: -78.912 flat angles P-C4'-P energy: -56.509 tors. eta vs tors. theta energy: -2.290 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: 3 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2164.720671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.720671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.720671 (E_RNA) where: Base-Base interactions energy: -1498.153 where: short stacking energy: -605.689 Base-Backbone interact. energy: -4.254 local terms energy: -662.313805 where: bonds (distance) C4'-P energy: -106.420 bonds (distance) P-C4' energy: -135.847 flat angles C4'-P-C4' energy: -145.223 flat angles P-C4'-P energy: -91.248 tors. eta vs tors. theta energy: -183.576 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: 2, replica: 5 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2120.087430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.087430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.087430 (E_RNA) where: Base-Base interactions energy: -1499.548 where: short stacking energy: -613.215 Base-Backbone interact. energy: -1.710 local terms energy: -618.829259 where: bonds (distance) C4'-P energy: -119.902 bonds (distance) P-C4' energy: -117.021 flat angles C4'-P-C4' energy: -130.216 flat angles P-C4'-P energy: -88.063 tors. eta vs tors. theta energy: -163.628 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: 297 Temperature: 1.000000 Total energy: -2100.592196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.592196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.592196 (E_RNA) where: Base-Base interactions energy: -1460.645 where: short stacking energy: -624.334 Base-Backbone interact. energy: -4.199 local terms energy: -635.748806 where: bonds (distance) C4'-P energy: -113.215 bonds (distance) P-C4' energy: -129.836 flat angles C4'-P-C4' energy: -140.949 flat angles P-C4'-P energy: -77.701 tors. eta vs tors. theta energy: -174.047 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: 8 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1919.117486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.117486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.117486 (E_RNA) where: Base-Base interactions energy: -1334.504 where: short stacking energy: -579.566 Base-Backbone interact. energy: -1.326 local terms energy: -583.286741 where: bonds (distance) C4'-P energy: -110.423 bonds (distance) P-C4' energy: -104.590 flat angles C4'-P-C4' energy: -129.911 flat angles P-C4'-P energy: -69.457 tors. eta vs tors. theta energy: -168.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1838.557785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.557785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.557785 (E_RNA) where: Base-Base interactions energy: -1257.000 where: short stacking energy: -535.143 Base-Backbone interact. energy: -3.521 local terms energy: -578.036755 where: bonds (distance) C4'-P energy: -125.541 bonds (distance) P-C4' energy: -105.322 flat angles C4'-P-C4' energy: -127.792 flat angles P-C4'-P energy: -79.305 tors. eta vs tors. theta energy: -140.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1748.062146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.062146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.062146 (E_RNA) where: Base-Base interactions energy: -1189.972 where: short stacking energy: -500.456 Base-Backbone interact. energy: -2.520 local terms energy: -555.569893 where: bonds (distance) C4'-P energy: -103.436 bonds (distance) P-C4' energy: -99.417 flat angles C4'-P-C4' energy: -125.904 flat angles P-C4'-P energy: -85.585 tors. eta vs tors. theta energy: -141.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1537.398940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.398940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.398940 (E_RNA) where: Base-Base interactions energy: -1024.232 where: short stacking energy: -463.894 Base-Backbone interact. energy: -0.490 local terms energy: -512.676352 where: bonds (distance) C4'-P energy: -86.436 bonds (distance) P-C4' energy: -103.533 flat angles C4'-P-C4' energy: -126.404 flat angles P-C4'-P energy: -80.253 tors. eta vs tors. theta energy: -116.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1385.464008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.464008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.464008 (E_RNA) where: Base-Base interactions energy: -905.144 where: short stacking energy: -422.732 Base-Backbone interact. energy: -0.262 local terms energy: -480.058200 where: bonds (distance) C4'-P energy: -112.641 bonds (distance) P-C4' energy: -91.840 flat angles C4'-P-C4' energy: -112.195 flat angles P-C4'-P energy: -66.811 tors. eta vs tors. theta energy: -96.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -995.926656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.926656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.926656 (E_RNA) where: Base-Base interactions energy: -551.040 where: short stacking energy: -265.223 Base-Backbone interact. energy: 0.188 local terms energy: -445.074720 where: bonds (distance) C4'-P energy: -111.877 bonds (distance) P-C4' energy: -98.860 flat angles C4'-P-C4' energy: -106.070 flat angles P-C4'-P energy: -80.487 tors. eta vs tors. theta energy: -47.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -674.593361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.593361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.593361 (E_RNA) where: Base-Base interactions energy: -340.571 where: short stacking energy: -195.113 Base-Backbone interact. energy: -0.356 local terms energy: -333.666666 where: bonds (distance) C4'-P energy: -78.029 bonds (distance) P-C4' energy: -106.336 flat angles C4'-P-C4' energy: -79.049 flat angles P-C4'-P energy: -67.154 tors. eta vs tors. theta energy: -3.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2160.623342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.623342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.623342 (E_RNA) where: Base-Base interactions energy: -1510.419 where: short stacking energy: -640.475 Base-Backbone interact. energy: -0.598 local terms energy: -649.606887 where: bonds (distance) C4'-P energy: -113.388 bonds (distance) P-C4' energy: -125.775 flat angles C4'-P-C4' energy: -135.318 flat angles P-C4'-P energy: -91.552 tors. eta vs tors. theta energy: -183.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2165.725056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.725056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.725056 (E_RNA) where: Base-Base interactions energy: -1529.166 where: short stacking energy: -630.369 Base-Backbone interact. energy: -4.618 local terms energy: -631.940562 where: bonds (distance) C4'-P energy: -121.115 bonds (distance) P-C4' energy: -126.855 flat angles C4'-P-C4' energy: -132.173 flat angles P-C4'-P energy: -88.858 tors. eta vs tors. theta energy: -162.940 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: 2 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2067.119410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.119410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.119410 (E_RNA) where: Base-Base interactions energy: -1456.655 where: short stacking energy: -616.471 Base-Backbone interact. energy: -2.036 local terms energy: -608.428354 where: bonds (distance) C4'-P energy: -118.253 bonds (distance) P-C4' energy: -107.688 flat angles C4'-P-C4' energy: -134.035 flat angles P-C4'-P energy: -75.738 tors. eta vs tors. theta energy: -172.714 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: 4, replica: 8 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1927.086755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.086755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.086755 (E_RNA) where: Base-Base interactions energy: -1338.085 where: short stacking energy: -588.537 Base-Backbone interact. energy: 0.120 local terms energy: -589.121137 where: bonds (distance) C4'-P energy: -101.296 bonds (distance) P-C4' energy: -129.947 flat angles C4'-P-C4' energy: -116.223 flat angles P-C4'-P energy: -82.077 tors. eta vs tors. theta energy: -159.578 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: 298 Temperature: 1.100000 Total energy: -1856.754564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.754564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.754564 (E_RNA) where: Base-Base interactions energy: -1300.485 where: short stacking energy: -536.573 Base-Backbone interact. energy: -1.637 local terms energy: -554.632028 where: bonds (distance) C4'-P energy: -87.492 bonds (distance) P-C4' energy: -113.832 flat angles C4'-P-C4' energy: -117.454 flat angles P-C4'-P energy: -84.966 tors. eta vs tors. theta energy: -150.888 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: 7 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1769.838236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.838236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.838236 (E_RNA) where: Base-Base interactions energy: -1239.878 where: short stacking energy: -524.012 Base-Backbone interact. energy: -2.398 local terms energy: -527.562129 where: bonds (distance) C4'-P energy: -84.245 bonds (distance) P-C4' energy: -102.856 flat angles C4'-P-C4' energy: -119.427 flat angles P-C4'-P energy: -84.466 tors. eta vs tors. theta energy: -136.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1546.466847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.466847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.466847 (E_RNA) where: Base-Base interactions energy: -1051.352 where: short stacking energy: -481.178 Base-Backbone interact. energy: 2.188 local terms energy: -497.302480 where: bonds (distance) C4'-P energy: -112.373 bonds (distance) P-C4' energy: -102.251 flat angles C4'-P-C4' energy: -96.930 flat angles P-C4'-P energy: -64.952 tors. eta vs tors. theta energy: -120.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1426.391697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.391697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.391697 (E_RNA) where: Base-Base interactions energy: -940.774 where: short stacking energy: -424.048 Base-Backbone interact. energy: -2.305 local terms energy: -483.312740 where: bonds (distance) C4'-P energy: -82.190 bonds (distance) P-C4' energy: -118.672 flat angles C4'-P-C4' energy: -116.725 flat angles P-C4'-P energy: -58.515 tors. eta vs tors. theta energy: -107.212 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: 298 Temperature: 1.300000 Total energy: -984.557781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.557781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.557781 (E_RNA) where: Base-Base interactions energy: -591.363 where: short stacking energy: -321.242 Base-Backbone interact. energy: 1.397 local terms energy: -394.592407 where: bonds (distance) C4'-P energy: -93.865 bonds (distance) P-C4' energy: -99.860 flat angles C4'-P-C4' energy: -101.750 flat angles P-C4'-P energy: -54.217 tors. eta vs tors. theta energy: -44.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -674.516576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.516576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.516576 (E_RNA) where: Base-Base interactions energy: -307.328 where: short stacking energy: -170.160 Base-Backbone interact. energy: 2.142 local terms energy: -369.330034 where: bonds (distance) C4'-P energy: -105.280 bonds (distance) P-C4' energy: -123.666 flat angles C4'-P-C4' energy: -95.831 flat angles P-C4'-P energy: -53.289 tors. eta vs tors. theta energy: 8.736 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: 3 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2151.427176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.427176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.427176 (E_RNA) where: Base-Base interactions energy: -1506.330 where: short stacking energy: -636.094 Base-Backbone interact. energy: -1.212 local terms energy: -643.885914 where: bonds (distance) C4'-P energy: -126.558 bonds (distance) P-C4' energy: -101.004 flat angles C4'-P-C4' energy: -129.478 flat angles P-C4'-P energy: -102.088 tors. eta vs tors. theta energy: -184.758 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: 5 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2139.323066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.323066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.323066 (E_RNA) where: Base-Base interactions energy: -1505.284 where: short stacking energy: -610.871 Base-Backbone interact. energy: -2.046 local terms energy: -631.993839 where: bonds (distance) C4'-P energy: -112.049 bonds (distance) P-C4' energy: -127.088 flat angles C4'-P-C4' energy: -141.729 flat angles P-C4'-P energy: -87.705 tors. eta vs tors. theta energy: -163.423 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: 3, replica: 2 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2074.196769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.196769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.196769 (E_RNA) where: Base-Base interactions energy: -1455.412 where: short stacking energy: -594.264 Base-Backbone interact. energy: -0.867 local terms energy: -617.918413 where: bonds (distance) C4'-P energy: -112.043 bonds (distance) P-C4' energy: -113.497 flat angles C4'-P-C4' energy: -135.856 flat angles P-C4'-P energy: -86.677 tors. eta vs tors. theta energy: -169.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1933.827621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.827621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.827621 (E_RNA) where: Base-Base interactions energy: -1323.184 where: short stacking energy: -574.225 Base-Backbone interact. energy: -2.583 local terms energy: -608.060537 where: bonds (distance) C4'-P energy: -118.660 bonds (distance) P-C4' energy: -110.951 flat angles C4'-P-C4' energy: -130.470 flat angles P-C4'-P energy: -84.747 tors. eta vs tors. theta energy: -163.232 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: 10 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1818.005502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.005502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.005502 (E_RNA) where: Base-Base interactions energy: -1247.576 where: short stacking energy: -560.975 Base-Backbone interact. energy: -1.858 local terms energy: -568.571610 where: bonds (distance) C4'-P energy: -99.378 bonds (distance) P-C4' energy: -111.620 flat angles C4'-P-C4' energy: -127.606 flat angles P-C4'-P energy: -78.907 tors. eta vs tors. theta energy: -151.060 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: 7 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1688.892988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.892988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.892988 (E_RNA) where: Base-Base interactions energy: -1141.159 where: short stacking energy: -514.043 Base-Backbone interact. energy: 0.391 local terms energy: -548.125056 where: bonds (distance) C4'-P energy: -103.966 bonds (distance) P-C4' energy: -115.273 flat angles C4'-P-C4' energy: -115.401 flat angles P-C4'-P energy: -68.640 tors. eta vs tors. theta energy: -144.845 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: 7, replica: 6 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1576.135612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.135612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.135612 (E_RNA) where: Base-Base interactions energy: -1069.445 where: short stacking energy: -462.544 Base-Backbone interact. energy: -3.497 local terms energy: -503.194139 where: bonds (distance) C4'-P energy: -101.689 bonds (distance) P-C4' energy: -88.013 flat angles C4'-P-C4' energy: -114.454 flat angles P-C4'-P energy: -87.001 tors. eta vs tors. theta energy: -112.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1372.927953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.927953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.927953 (E_RNA) where: Base-Base interactions energy: -903.787 where: short stacking energy: -386.625 Base-Backbone interact. energy: -2.709 local terms energy: -466.431664 where: bonds (distance) C4'-P energy: -100.712 bonds (distance) P-C4' energy: -107.535 flat angles C4'-P-C4' energy: -103.385 flat angles P-C4'-P energy: -65.880 tors. eta vs tors. theta energy: -88.920 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: 299 Temperature: 1.300000 Total energy: -935.740239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.740239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.740239 (E_RNA) where: Base-Base interactions energy: -549.250 where: short stacking energy: -282.744 Base-Backbone interact. energy: -0.156 local terms energy: -386.334374 where: bonds (distance) C4'-P energy: -89.155 bonds (distance) P-C4' energy: -104.301 flat angles C4'-P-C4' energy: -101.988 flat angles P-C4'-P energy: -43.483 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: 10, replica: 4 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -688.651900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.651900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.651900 (E_RNA) where: Base-Base interactions energy: -331.984 where: short stacking energy: -193.031 Base-Backbone interact. energy: 1.522 local terms energy: -358.188992 where: bonds (distance) C4'-P energy: -103.971 bonds (distance) P-C4' energy: -115.689 flat angles C4'-P-C4' energy: -87.486 flat angles P-C4'-P energy: -41.704 tors. eta vs tors. theta energy: -9.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2154.388532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.388532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.388532 (E_RNA) where: Base-Base interactions energy: -1513.112 where: short stacking energy: -641.485 Base-Backbone interact. energy: -3.607 local terms energy: -637.669621 where: bonds (distance) C4'-P energy: -116.403 bonds (distance) P-C4' energy: -117.839 flat angles C4'-P-C4' energy: -136.827 flat angles P-C4'-P energy: -79.495 tors. eta vs tors. theta energy: -187.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2136.436849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.436849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.436849 (E_RNA) where: Base-Base interactions energy: -1502.693 where: short stacking energy: -588.681 Base-Backbone interact. energy: -2.372 local terms energy: -631.372005 where: bonds (distance) C4'-P energy: -116.780 bonds (distance) P-C4' energy: -126.907 flat angles C4'-P-C4' energy: -137.101 flat angles P-C4'-P energy: -99.254 tors. eta vs tors. theta energy: -151.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2074.210961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.210961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.210961 (E_RNA) where: Base-Base interactions energy: -1454.252 where: short stacking energy: -614.791 Base-Backbone interact. energy: -3.765 local terms energy: -616.194015 where: bonds (distance) C4'-P energy: -109.310 bonds (distance) P-C4' energy: -112.856 flat angles C4'-P-C4' energy: -135.608 flat angles P-C4'-P energy: -81.463 tors. eta vs tors. theta energy: -176.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1957.812968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.812968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.812968 (E_RNA) where: Base-Base interactions energy: -1369.438 where: short stacking energy: -586.738 Base-Backbone interact. energy: 1.384 local terms energy: -589.759187 where: bonds (distance) C4'-P energy: -105.493 bonds (distance) P-C4' energy: -117.142 flat angles C4'-P-C4' energy: -120.678 flat angles P-C4'-P energy: -83.089 tors. eta vs tors. theta energy: -163.357 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: 10 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1852.902003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.902003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.902003 (E_RNA) where: Base-Base interactions energy: -1294.854 where: short stacking energy: -554.701 Base-Backbone interact. energy: -2.351 local terms energy: -555.696842 where: bonds (distance) C4'-P energy: -97.340 bonds (distance) P-C4' energy: -96.690 flat angles C4'-P-C4' energy: -128.317 flat angles P-C4'-P energy: -84.840 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: 7 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1690.572984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.572984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.572984 (E_RNA) where: Base-Base interactions energy: -1147.245 where: short stacking energy: -479.064 Base-Backbone interact. energy: -0.313 local terms energy: -543.015307 where: bonds (distance) C4'-P energy: -97.112 bonds (distance) P-C4' energy: -116.611 flat angles C4'-P-C4' energy: -119.825 flat angles P-C4'-P energy: -96.451 tors. eta vs tors. theta energy: -113.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1666.003593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.003593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.003593 (E_RNA) where: Base-Base interactions energy: -1100.037 where: short stacking energy: -476.463 Base-Backbone interact. energy: -1.419 local terms energy: -564.547246 where: bonds (distance) C4'-P energy: -97.671 bonds (distance) P-C4' energy: -117.302 flat angles C4'-P-C4' energy: -128.207 flat angles P-C4'-P energy: -91.921 tors. eta vs tors. theta energy: -129.446 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: 1 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1343.051420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.051420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.051420 (E_RNA) where: Base-Base interactions energy: -869.384 where: short stacking energy: -385.008 Base-Backbone interact. energy: -4.454 local terms energy: -469.213657 where: bonds (distance) C4'-P energy: -90.499 bonds (distance) P-C4' energy: -107.800 flat angles C4'-P-C4' energy: -118.155 flat angles P-C4'-P energy: -72.338 tors. eta vs tors. theta energy: -80.422 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: 9 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -897.430792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.430792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.430792 (E_RNA) where: Base-Base interactions energy: -502.709 where: short stacking energy: -260.240 Base-Backbone interact. energy: -1.349 local terms energy: -393.372897 where: bonds (distance) C4'-P energy: -95.373 bonds (distance) P-C4' energy: -104.520 flat angles C4'-P-C4' energy: -111.879 flat angles P-C4'-P energy: -54.950 tors. eta vs tors. theta energy: -26.651 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: 4 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -673.292891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.292891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.292891 (E_RNA) where: Base-Base interactions energy: -310.788 where: short stacking energy: -194.259 Base-Backbone interact. energy: -3.234 local terms energy: -359.270842 where: bonds (distance) C4'-P energy: -98.432 bonds (distance) P-C4' energy: -108.185 flat angles C4'-P-C4' energy: -88.818 flat angles P-C4'-P energy: -63.386 tors. eta vs tors. theta energy: -0.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2161.188199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.188199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.188199 (E_RNA) where: Base-Base interactions energy: -1491.076 where: short stacking energy: -617.431 Base-Backbone interact. energy: -2.756 local terms energy: -667.356610 where: bonds (distance) C4'-P energy: -119.143 bonds (distance) P-C4' energy: -135.063 flat angles C4'-P-C4' energy: -136.134 flat angles P-C4'-P energy: -94.331 tors. eta vs tors. theta energy: -182.685 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: 2, replica: 5 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2149.260495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.260495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.260495 (E_RNA) where: Base-Base interactions energy: -1515.605 where: short stacking energy: -613.547 Base-Backbone interact. energy: -4.596 local terms energy: -629.060044 where: bonds (distance) C4'-P energy: -125.142 bonds (distance) P-C4' energy: -129.854 flat angles C4'-P-C4' energy: -119.616 flat angles P-C4'-P energy: -90.500 tors. eta vs tors. theta energy: -163.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2121.560546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.560546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.560546 (E_RNA) where: Base-Base interactions energy: -1483.518 where: short stacking energy: -622.832 Base-Backbone interact. energy: -3.245 local terms energy: -634.797543 where: bonds (distance) C4'-P energy: -107.513 bonds (distance) P-C4' energy: -108.748 flat angles C4'-P-C4' energy: -142.544 flat angles P-C4'-P energy: -93.498 tors. eta vs tors. theta energy: -182.495 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: 301 Temperature: 1.050000 Total energy: -1969.234360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.234360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.234360 (E_RNA) where: Base-Base interactions energy: -1372.802 where: short stacking energy: -613.091 Base-Backbone interact. energy: -0.522 local terms energy: -595.909799 where: bonds (distance) C4'-P energy: -109.562 bonds (distance) P-C4' energy: -125.122 flat angles C4'-P-C4' energy: -129.528 flat angles P-C4'-P energy: -70.053 tors. eta vs tors. theta energy: -161.644 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: 5, replica: 10 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1870.830742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.830742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.830742 (E_RNA) where: Base-Base interactions energy: -1278.082 where: short stacking energy: -537.591 Base-Backbone interact. energy: -2.521 local terms energy: -590.227545 where: bonds (distance) C4'-P energy: -118.948 bonds (distance) P-C4' energy: -111.007 flat angles C4'-P-C4' energy: -118.417 flat angles P-C4'-P energy: -81.344 tors. eta vs tors. theta energy: -160.512 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: 7 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1727.380492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.380492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.380492 (E_RNA) where: Base-Base interactions energy: -1177.473 where: short stacking energy: -482.191 Base-Backbone interact. energy: -5.398 local terms energy: -544.509576 where: bonds (distance) C4'-P energy: -119.604 bonds (distance) P-C4' energy: -103.632 flat angles C4'-P-C4' energy: -125.872 flat angles P-C4'-P energy: -78.439 tors. eta vs tors. theta energy: -116.962 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: 6 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1581.343177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.343177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.343177 (E_RNA) where: Base-Base interactions energy: -1054.474 where: short stacking energy: -466.539 Base-Backbone interact. energy: -1.694 local terms energy: -525.174829 where: bonds (distance) C4'-P energy: -111.201 bonds (distance) P-C4' energy: -100.599 flat angles C4'-P-C4' energy: -124.181 flat angles P-C4'-P energy: -80.694 tors. eta vs tors. theta energy: -108.500 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: 8, replica: 1 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1438.854787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.854787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.854787 (E_RNA) where: Base-Base interactions energy: -950.789 where: short stacking energy: -451.234 Base-Backbone interact. energy: -1.671 local terms energy: -486.395305 where: bonds (distance) C4'-P energy: -96.688 bonds (distance) P-C4' energy: -86.255 flat angles C4'-P-C4' energy: -112.394 flat angles P-C4'-P energy: -86.415 tors. eta vs tors. theta energy: -104.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -906.437118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.437118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.437118 (E_RNA) where: Base-Base interactions energy: -515.334 where: short stacking energy: -257.712 Base-Backbone interact. energy: -0.962 local terms energy: -390.140456 where: bonds (distance) C4'-P energy: -87.741 bonds (distance) P-C4' energy: -116.563 flat angles C4'-P-C4' energy: -100.900 flat angles P-C4'-P energy: -66.227 tors. eta vs tors. theta energy: -18.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -659.835167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.835167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.835167 (E_RNA) where: Base-Base interactions energy: -320.129 where: short stacking energy: -197.873 Base-Backbone interact. energy: -0.023 local terms energy: -339.683427 where: bonds (distance) C4'-P energy: -94.988 bonds (distance) P-C4' energy: -115.721 flat angles C4'-P-C4' energy: -95.100 flat angles P-C4'-P energy: -35.252 tors. eta vs tors. theta energy: 1.378 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: 5 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2179.129471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.129471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.129471 (E_RNA) where: Base-Base interactions energy: -1533.014 where: short stacking energy: -614.198 Base-Backbone interact. energy: -2.876 local terms energy: -643.239242 where: bonds (distance) C4'-P energy: -114.036 bonds (distance) P-C4' energy: -135.533 flat angles C4'-P-C4' energy: -134.791 flat angles P-C4'-P energy: -92.310 tors. eta vs tors. theta energy: -166.570 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: 2, replica: 3 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2142.278443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.278443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.278443 (E_RNA) where: Base-Base interactions energy: -1502.724 where: short stacking energy: -624.831 Base-Backbone interact. energy: -3.153 local terms energy: -636.401045 where: bonds (distance) C4'-P energy: -120.555 bonds (distance) P-C4' energy: -104.450 flat angles C4'-P-C4' energy: -142.707 flat angles P-C4'-P energy: -91.948 tors. eta vs tors. theta energy: -176.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2079.924725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.924725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.924725 (E_RNA) where: Base-Base interactions energy: -1464.272 where: short stacking energy: -617.304 Base-Backbone interact. energy: -2.499 local terms energy: -613.153442 where: bonds (distance) C4'-P energy: -113.701 bonds (distance) P-C4' energy: -123.796 flat angles C4'-P-C4' energy: -133.495 flat angles P-C4'-P energy: -80.703 tors. eta vs tors. theta energy: -161.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1932.118963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.118963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.118963 (E_RNA) where: Base-Base interactions energy: -1346.466 where: short stacking energy: -577.075 Base-Backbone interact. energy: -3.163 local terms energy: -582.489419 where: bonds (distance) C4'-P energy: -120.750 bonds (distance) P-C4' energy: -111.045 flat angles C4'-P-C4' energy: -109.425 flat angles P-C4'-P energy: -87.199 tors. eta vs tors. theta energy: -154.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1877.044608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.044608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.044608 (E_RNA) where: Base-Base interactions energy: -1274.661 where: short stacking energy: -540.515 Base-Backbone interact. energy: 5.649 local terms energy: -608.032464 where: bonds (distance) C4'-P energy: -98.303 bonds (distance) P-C4' energy: -128.532 flat angles C4'-P-C4' energy: -128.262 flat angles P-C4'-P energy: -85.695 tors. eta vs tors. theta energy: -167.240 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: 7 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1762.588492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.588492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.588492 (E_RNA) where: Base-Base interactions energy: -1227.654 where: short stacking energy: -517.118 Base-Backbone interact. energy: -1.630 local terms energy: -533.304597 where: bonds (distance) C4'-P energy: -96.600 bonds (distance) P-C4' energy: -107.863 flat angles C4'-P-C4' energy: -126.158 flat angles P-C4'-P energy: -77.920 tors. eta vs tors. theta energy: -124.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1613.752126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.752126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.752126 (E_RNA) where: Base-Base interactions energy: -1083.132 where: short stacking energy: -466.829 Base-Backbone interact. energy: -0.567 local terms energy: -530.053593 where: bonds (distance) C4'-P energy: -102.726 bonds (distance) P-C4' energy: -108.279 flat angles C4'-P-C4' energy: -110.333 flat angles P-C4'-P energy: -86.415 tors. eta vs tors. theta energy: -122.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1428.996681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.996681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.996681 (E_RNA) where: Base-Base interactions energy: -928.391 where: short stacking energy: -431.748 Base-Backbone interact. energy: -1.488 local terms energy: -499.116923 where: bonds (distance) C4'-P energy: -110.715 bonds (distance) P-C4' energy: -87.352 flat angles C4'-P-C4' energy: -128.967 flat angles P-C4'-P energy: -71.252 tors. eta vs tors. theta energy: -100.830 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: 9 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -906.494542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.494542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.494542 (E_RNA) where: Base-Base interactions energy: -498.123 where: short stacking energy: -269.680 Base-Backbone interact. energy: 3.376 local terms energy: -411.747326 where: bonds (distance) C4'-P energy: -100.998 bonds (distance) P-C4' energy: -114.737 flat angles C4'-P-C4' energy: -91.815 flat angles P-C4'-P energy: -61.462 tors. eta vs tors. theta energy: -42.735 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: 4 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -717.953809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.953809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.953809 (E_RNA) where: Base-Base interactions energy: -352.843 where: short stacking energy: -196.360 Base-Backbone interact. energy: -1.473 local terms energy: -363.637089 where: bonds (distance) C4'-P energy: -98.341 bonds (distance) P-C4' energy: -103.542 flat angles C4'-P-C4' energy: -80.303 flat angles P-C4'-P energy: -69.545 tors. eta vs tors. theta energy: -11.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2207.701553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.701553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.701553 (E_RNA) where: Base-Base interactions energy: -1540.596 where: short stacking energy: -603.080 Base-Backbone interact. energy: -3.353 local terms energy: -663.752298 where: bonds (distance) C4'-P energy: -126.641 bonds (distance) P-C4' energy: -121.316 flat angles C4'-P-C4' energy: -139.473 flat angles P-C4'-P energy: -101.044 tors. eta vs tors. theta energy: -175.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2130.893186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.893186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.893186 (E_RNA) where: Base-Base interactions energy: -1490.551 where: short stacking energy: -622.798 Base-Backbone interact. energy: -3.596 local terms energy: -636.746492 where: bonds (distance) C4'-P energy: -112.065 bonds (distance) P-C4' energy: -113.028 flat angles C4'-P-C4' energy: -141.179 flat angles P-C4'-P energy: -88.797 tors. eta vs tors. theta energy: -181.677 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: 3, replica: 2 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2062.376617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.376617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.376617 (E_RNA) where: Base-Base interactions energy: -1437.050 where: short stacking energy: -602.668 Base-Backbone interact. energy: -1.576 local terms energy: -623.750495 where: bonds (distance) C4'-P energy: -112.821 bonds (distance) P-C4' energy: -125.421 flat angles C4'-P-C4' energy: -131.390 flat angles P-C4'-P energy: -89.176 tors. eta vs tors. theta energy: -164.944 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: 4, replica: 10 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1911.353524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.353524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.353524 (E_RNA) where: Base-Base interactions energy: -1306.069 where: short stacking energy: -537.124 Base-Backbone interact. energy: -3.988 local terms energy: -601.296416 where: bonds (distance) C4'-P energy: -109.400 bonds (distance) P-C4' energy: -115.133 flat angles C4'-P-C4' energy: -134.587 flat angles P-C4'-P energy: -93.095 tors. eta vs tors. theta energy: -149.081 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: 8 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1851.945216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.945216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.945216 (E_RNA) where: Base-Base interactions energy: -1273.418 where: short stacking energy: -541.803 Base-Backbone interact. energy: -2.111 local terms energy: -576.415620 where: bonds (distance) C4'-P energy: -113.482 bonds (distance) P-C4' energy: -108.784 flat angles C4'-P-C4' energy: -124.084 flat angles P-C4'-P energy: -81.633 tors. eta vs tors. theta energy: -148.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1718.666354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.666354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.666354 (E_RNA) where: Base-Base interactions energy: -1165.180 where: short stacking energy: -486.157 Base-Backbone interact. energy: -0.147 local terms energy: -553.339776 where: bonds (distance) C4'-P energy: -117.462 bonds (distance) P-C4' energy: -111.398 flat angles C4'-P-C4' energy: -121.513 flat angles P-C4'-P energy: -77.382 tors. eta vs tors. theta energy: -125.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1610.855433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.855433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.855433 (E_RNA) where: Base-Base interactions energy: -1092.265 where: short stacking energy: -510.811 Base-Backbone interact. energy: 7.651 local terms energy: -526.240490 where: bonds (distance) C4'-P energy: -93.503 bonds (distance) P-C4' energy: -104.229 flat angles C4'-P-C4' energy: -114.502 flat angles P-C4'-P energy: -73.983 tors. eta vs tors. theta energy: -140.025 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: 8, replica: 1 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1386.020218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.020218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.020218 (E_RNA) where: Base-Base interactions energy: -917.611 where: short stacking energy: -391.375 Base-Backbone interact. energy: -0.362 local terms energy: -468.046867 where: bonds (distance) C4'-P energy: -100.309 bonds (distance) P-C4' energy: -109.891 flat angles C4'-P-C4' energy: -105.491 flat angles P-C4'-P energy: -74.556 tors. eta vs tors. theta energy: -77.799 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: 9 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -929.228818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.228818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.228818 (E_RNA) where: Base-Base interactions energy: -532.570 where: short stacking energy: -282.319 Base-Backbone interact. energy: 4.037 local terms energy: -400.696079 where: bonds (distance) C4'-P energy: -104.399 bonds (distance) P-C4' energy: -96.971 flat angles C4'-P-C4' energy: -101.542 flat angles P-C4'-P energy: -45.519 tors. eta vs tors. theta energy: -52.266 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: 10, replica: 4 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -720.029244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.029244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.029244 (E_RNA) where: Base-Base interactions energy: -377.794 where: short stacking energy: -214.842 Base-Backbone interact. energy: 8.701 local terms energy: -350.936203 where: bonds (distance) C4'-P energy: -89.910 bonds (distance) P-C4' energy: -101.050 flat angles C4'-P-C4' energy: -90.064 flat angles P-C4'-P energy: -49.954 tors. eta vs tors. theta energy: -19.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2199.024224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.024224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.024224 (E_RNA) where: Base-Base interactions energy: -1542.895 where: short stacking energy: -610.190 Base-Backbone interact. energy: -3.495 local terms energy: -652.634754 where: bonds (distance) C4'-P energy: -128.579 bonds (distance) P-C4' energy: -113.888 flat angles C4'-P-C4' energy: -141.605 flat angles P-C4'-P energy: -91.874 tors. eta vs tors. theta energy: -176.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2151.358767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.358767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.358767 (E_RNA) where: Base-Base interactions energy: -1498.203 where: short stacking energy: -631.760 Base-Backbone interact. energy: -1.024 local terms energy: -652.131831 where: bonds (distance) C4'-P energy: -118.520 bonds (distance) P-C4' energy: -121.505 flat angles C4'-P-C4' energy: -145.810 flat angles P-C4'-P energy: -88.960 tors. eta vs tors. theta energy: -177.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2076.914711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.914711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.914711 (E_RNA) where: Base-Base interactions energy: -1454.167 where: short stacking energy: -609.561 Base-Backbone interact. energy: -1.503 local terms energy: -621.244018 where: bonds (distance) C4'-P energy: -135.226 bonds (distance) P-C4' energy: -108.589 flat angles C4'-P-C4' energy: -138.615 flat angles P-C4'-P energy: -73.769 tors. eta vs tors. theta energy: -165.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1934.236170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.236170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.236170 (E_RNA) where: Base-Base interactions energy: -1339.870 where: short stacking energy: -557.027 Base-Backbone interact. energy: -0.513 local terms energy: -593.852936 where: bonds (distance) C4'-P energy: -123.488 bonds (distance) P-C4' energy: -94.634 flat angles C4'-P-C4' energy: -140.717 flat angles P-C4'-P energy: -80.013 tors. eta vs tors. theta energy: -155.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1837.873909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.873909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.873909 (E_RNA) where: Base-Base interactions energy: -1269.487 where: short stacking energy: -559.867 Base-Backbone interact. energy: 0.828 local terms energy: -569.215192 where: bonds (distance) C4'-P energy: -107.064 bonds (distance) P-C4' energy: -113.400 flat angles C4'-P-C4' energy: -128.049 flat angles P-C4'-P energy: -85.849 tors. eta vs tors. theta energy: -134.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1656.870474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.870474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.870474 (E_RNA) where: Base-Base interactions energy: -1149.991 where: short stacking energy: -486.943 Base-Backbone interact. energy: 2.982 local terms energy: -509.861944 where: bonds (distance) C4'-P energy: -108.433 bonds (distance) P-C4' energy: -103.020 flat angles C4'-P-C4' energy: -111.757 flat angles P-C4'-P energy: -69.430 tors. eta vs tors. theta energy: -117.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1612.915758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.915758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.915758 (E_RNA) where: Base-Base interactions energy: -1089.533 where: short stacking energy: -481.755 Base-Backbone interact. energy: 0.116 local terms energy: -523.498853 where: bonds (distance) C4'-P energy: -106.041 bonds (distance) P-C4' energy: -86.422 flat angles C4'-P-C4' energy: -112.409 flat angles P-C4'-P energy: -75.470 tors. eta vs tors. theta energy: -143.157 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: 1 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1295.603256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.603256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.603256 (E_RNA) where: Base-Base interactions energy: -842.561 where: short stacking energy: -378.807 Base-Backbone interact. energy: 2.918 local terms energy: -455.960356 where: bonds (distance) C4'-P energy: -102.327 bonds (distance) P-C4' energy: -102.383 flat angles C4'-P-C4' energy: -97.180 flat angles P-C4'-P energy: -68.185 tors. eta vs tors. theta energy: -85.886 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: 9, replica: 9 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1040.780877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.780877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.780877 (E_RNA) where: Base-Base interactions energy: -661.891 where: short stacking energy: -314.491 Base-Backbone interact. energy: 0.379 local terms energy: -379.268268 where: bonds (distance) C4'-P energy: -80.075 bonds (distance) P-C4' energy: -99.717 flat angles C4'-P-C4' energy: -125.562 flat angles P-C4'-P energy: -33.455 tors. eta vs tors. theta energy: -40.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -667.099077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.099077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.099077 (E_RNA) where: Base-Base interactions energy: -336.564 where: short stacking energy: -220.072 Base-Backbone interact. energy: 1.438 local terms energy: -331.972612 where: bonds (distance) C4'-P energy: -88.802 bonds (distance) P-C4' energy: -95.588 flat angles C4'-P-C4' energy: -81.135 flat angles P-C4'-P energy: -57.614 tors. eta vs tors. theta energy: -8.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2165.648673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.648673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.648673 (E_RNA) where: Base-Base interactions energy: -1512.783 where: short stacking energy: -615.764 Base-Backbone interact. energy: -4.888 local terms energy: -647.977711 where: bonds (distance) C4'-P energy: -115.631 bonds (distance) P-C4' energy: -122.389 flat angles C4'-P-C4' energy: -143.634 flat angles P-C4'-P energy: -95.986 tors. eta vs tors. theta energy: -170.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2094.747021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.747021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.747021 (E_RNA) where: Base-Base interactions energy: -1467.878 where: short stacking energy: -607.732 Base-Backbone interact. energy: -3.458 local terms energy: -623.411079 where: bonds (distance) C4'-P energy: -112.047 bonds (distance) P-C4' energy: -120.028 flat angles C4'-P-C4' energy: -134.221 flat angles P-C4'-P energy: -75.159 tors. eta vs tors. theta energy: -181.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2101.938506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.938506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.938506 (E_RNA) where: Base-Base interactions energy: -1467.686 where: short stacking energy: -621.150 Base-Backbone interact. energy: -4.106 local terms energy: -630.146630 where: bonds (distance) C4'-P energy: -114.069 bonds (distance) P-C4' energy: -116.558 flat angles C4'-P-C4' energy: -140.613 flat angles P-C4'-P energy: -83.130 tors. eta vs tors. theta energy: -175.777 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: 10 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1939.983294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.983294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.983294 (E_RNA) where: Base-Base interactions energy: -1335.721 where: short stacking energy: -564.496 Base-Backbone interact. energy: -2.996 local terms energy: -601.266738 where: bonds (distance) C4'-P energy: -104.225 bonds (distance) P-C4' energy: -114.175 flat angles C4'-P-C4' energy: -132.489 flat angles P-C4'-P energy: -86.751 tors. eta vs tors. theta energy: -163.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1833.255629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.255629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.255629 (E_RNA) where: Base-Base interactions energy: -1267.025 where: short stacking energy: -546.955 Base-Backbone interact. energy: 3.514 local terms energy: -569.745467 where: bonds (distance) C4'-P energy: -114.814 bonds (distance) P-C4' energy: -111.954 flat angles C4'-P-C4' energy: -114.740 flat angles P-C4'-P energy: -79.514 tors. eta vs tors. theta energy: -148.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1647.645822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.645822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.645822 (E_RNA) where: Base-Base interactions energy: -1140.386 where: short stacking energy: -470.449 Base-Backbone interact. energy: -1.612 local terms energy: -505.647056 where: bonds (distance) C4'-P energy: -105.515 bonds (distance) P-C4' energy: -96.894 flat angles C4'-P-C4' energy: -114.973 flat angles P-C4'-P energy: -76.880 tors. eta vs tors. theta energy: -111.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1614.322200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.322200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.322200 (E_RNA) where: Base-Base interactions energy: -1094.720 where: short stacking energy: -463.799 Base-Backbone interact. energy: -1.829 local terms energy: -517.773475 where: bonds (distance) C4'-P energy: -95.361 bonds (distance) P-C4' energy: -112.547 flat angles C4'-P-C4' energy: -114.876 flat angles P-C4'-P energy: -87.101 tors. eta vs tors. theta energy: -107.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1250.911661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.911661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.911661 (E_RNA) where: Base-Base interactions energy: -823.908 where: short stacking energy: -374.427 Base-Backbone interact. energy: 6.329 local terms energy: -433.333183 where: bonds (distance) C4'-P energy: -103.991 bonds (distance) P-C4' energy: -105.356 flat angles C4'-P-C4' energy: -103.709 flat angles P-C4'-P energy: -58.087 tors. eta vs tors. theta energy: -62.190 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: 305 Temperature: 1.300000 Total energy: -1049.520379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.520379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.520379 (E_RNA) where: Base-Base interactions energy: -645.430 where: short stacking energy: -326.342 Base-Backbone interact. energy: 0.311 local terms energy: -404.401183 where: bonds (distance) C4'-P energy: -99.646 bonds (distance) P-C4' energy: -95.985 flat angles C4'-P-C4' energy: -108.257 flat angles P-C4'-P energy: -45.401 tors. eta vs tors. theta energy: -55.112 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: 4 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -692.968009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.968009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.968009 (E_RNA) where: Base-Base interactions energy: -348.492 where: short stacking energy: -209.896 Base-Backbone interact. energy: 0.588 local terms energy: -345.063550 where: bonds (distance) C4'-P energy: -113.998 bonds (distance) P-C4' energy: -91.680 flat angles C4'-P-C4' energy: -76.610 flat angles P-C4'-P energy: -51.262 tors. eta vs tors. theta energy: -11.513 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: 3 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2159.168126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.168126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.168126 (E_RNA) where: Base-Base interactions energy: -1499.144 where: short stacking energy: -607.796 Base-Backbone interact. energy: -3.146 local terms energy: -656.878735 where: bonds (distance) C4'-P energy: -117.392 bonds (distance) P-C4' energy: -122.513 flat angles C4'-P-C4' energy: -136.197 flat angles P-C4'-P energy: -97.268 tors. eta vs tors. theta energy: -183.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2126.838988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.838988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.838988 (E_RNA) where: Base-Base interactions energy: -1480.893 where: short stacking energy: -625.191 Base-Backbone interact. energy: -4.033 local terms energy: -641.913370 where: bonds (distance) C4'-P energy: -122.075 bonds (distance) P-C4' energy: -141.381 flat angles C4'-P-C4' energy: -125.165 flat angles P-C4'-P energy: -90.338 tors. eta vs tors. theta energy: -162.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2077.434636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.434636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.434636 (E_RNA) where: Base-Base interactions energy: -1457.219 where: short stacking energy: -609.429 Base-Backbone interact. energy: -2.264 local terms energy: -617.951568 where: bonds (distance) C4'-P energy: -124.236 bonds (distance) P-C4' energy: -109.383 flat angles C4'-P-C4' energy: -144.905 flat angles P-C4'-P energy: -77.759 tors. eta vs tors. theta energy: -161.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1968.670459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.670459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.670459 (E_RNA) where: Base-Base interactions energy: -1379.417 where: short stacking energy: -569.617 Base-Backbone interact. energy: -1.030 local terms energy: -588.222719 where: bonds (distance) C4'-P energy: -109.555 bonds (distance) P-C4' energy: -106.532 flat angles C4'-P-C4' energy: -124.530 flat angles P-C4'-P energy: -86.510 tors. eta vs tors. theta energy: -161.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1893.307020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.307020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.307020 (E_RNA) where: Base-Base interactions energy: -1311.762 where: short stacking energy: -567.323 Base-Backbone interact. energy: -1.123 local terms energy: -580.422481 where: bonds (distance) C4'-P energy: -106.831 bonds (distance) P-C4' energy: -119.499 flat angles C4'-P-C4' energy: -119.536 flat angles P-C4'-P energy: -78.196 tors. eta vs tors. theta energy: -156.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1727.811553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.811553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.811553 (E_RNA) where: Base-Base interactions energy: -1181.314 where: short stacking energy: -504.332 Base-Backbone interact. energy: -0.101 local terms energy: -546.396102 where: bonds (distance) C4'-P energy: -109.495 bonds (distance) P-C4' energy: -106.484 flat angles C4'-P-C4' energy: -129.006 flat angles P-C4'-P energy: -74.915 tors. eta vs tors. theta energy: -126.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1545.015919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.015919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.015919 (E_RNA) where: Base-Base interactions energy: -1029.107 where: short stacking energy: -458.377 Base-Backbone interact. energy: -2.050 local terms energy: -513.858765 where: bonds (distance) C4'-P energy: -99.136 bonds (distance) P-C4' energy: -105.850 flat angles C4'-P-C4' energy: -109.318 flat angles P-C4'-P energy: -79.703 tors. eta vs tors. theta energy: -119.852 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: 1 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1244.597237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.597237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.597237 (E_RNA) where: Base-Base interactions energy: -796.463 where: short stacking energy: -361.641 Base-Backbone interact. energy: -0.424 local terms energy: -447.709714 where: bonds (distance) C4'-P energy: -115.930 bonds (distance) P-C4' energy: -108.884 flat angles C4'-P-C4' energy: -91.396 flat angles P-C4'-P energy: -53.752 tors. eta vs tors. theta energy: -77.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -720.540277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.540277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.540277 (E_RNA) where: Base-Base interactions energy: -367.261 where: short stacking energy: -219.860 Base-Backbone interact. energy: -2.837 local terms energy: -350.443166 where: bonds (distance) C4'-P energy: -97.804 bonds (distance) P-C4' energy: -112.389 flat angles C4'-P-C4' energy: -78.926 flat angles P-C4'-P energy: -44.033 tors. eta vs tors. theta energy: -17.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -867.129747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.129747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.129747 (E_RNA) where: Base-Base interactions energy: -523.885 where: short stacking energy: -246.797 Base-Backbone interact. energy: 3.845 local terms energy: -347.090176 where: bonds (distance) C4'-P energy: -90.799 bonds (distance) P-C4' energy: -109.308 flat angles C4'-P-C4' energy: -86.661 flat angles P-C4'-P energy: -46.705 tors. eta vs tors. theta energy: -13.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2142.763256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.763256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.763256 (E_RNA) where: Base-Base interactions energy: -1499.898 where: short stacking energy: -639.149 Base-Backbone interact. energy: -4.343 local terms energy: -638.522935 where: bonds (distance) C4'-P energy: -109.462 bonds (distance) P-C4' energy: -122.282 flat angles C4'-P-C4' energy: -138.112 flat angles P-C4'-P energy: -90.770 tors. eta vs tors. theta energy: -177.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2120.770103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.770103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.770103 (E_RNA) where: Base-Base interactions energy: -1506.242 where: short stacking energy: -627.772 Base-Backbone interact. energy: 2.856 local terms energy: -617.384084 where: bonds (distance) C4'-P energy: -117.044 bonds (distance) P-C4' energy: -112.197 flat angles C4'-P-C4' energy: -139.616 flat angles P-C4'-P energy: -89.869 tors. eta vs tors. theta energy: -158.659 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: 3, replica: 2 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2058.209486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.209486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.209486 (E_RNA) where: Base-Base interactions energy: -1436.818 where: short stacking energy: -621.083 Base-Backbone interact. energy: -2.843 local terms energy: -618.549176 where: bonds (distance) C4'-P energy: -98.385 bonds (distance) P-C4' energy: -122.347 flat angles C4'-P-C4' energy: -142.713 flat angles P-C4'-P energy: -81.872 tors. eta vs tors. theta energy: -173.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1972.962995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.962995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.962995 (E_RNA) where: Base-Base interactions energy: -1351.087 where: short stacking energy: -609.918 Base-Backbone interact. energy: -1.151 local terms energy: -620.724688 where: bonds (distance) C4'-P energy: -109.992 bonds (distance) P-C4' energy: -119.399 flat angles C4'-P-C4' energy: -129.074 flat angles P-C4'-P energy: -89.114 tors. eta vs tors. theta energy: -173.147 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: 5, replica: 8 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1875.853864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.853864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.853864 (E_RNA) where: Base-Base interactions energy: -1317.843 where: short stacking energy: -527.405 Base-Backbone interact. energy: 2.088 local terms energy: -560.099466 where: bonds (distance) C4'-P energy: -111.702 bonds (distance) P-C4' energy: -120.301 flat angles C4'-P-C4' energy: -107.408 flat angles P-C4'-P energy: -71.260 tors. eta vs tors. theta energy: -149.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1678.925701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.925701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.925701 (E_RNA) where: Base-Base interactions energy: -1164.108 where: short stacking energy: -474.315 Base-Backbone interact. energy: 0.218 local terms energy: -515.036406 where: bonds (distance) C4'-P energy: -108.806 bonds (distance) P-C4' energy: -99.039 flat angles C4'-P-C4' energy: -112.284 flat angles P-C4'-P energy: -84.751 tors. eta vs tors. theta energy: -110.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1500.295536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.295536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.295536 (E_RNA) where: Base-Base interactions energy: -1017.770 where: short stacking energy: -443.913 Base-Backbone interact. energy: 0.696 local terms energy: -483.221665 where: bonds (distance) C4'-P energy: -97.276 bonds (distance) P-C4' energy: -86.295 flat angles C4'-P-C4' energy: -118.749 flat angles P-C4'-P energy: -72.043 tors. eta vs tors. theta energy: -108.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1271.777899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.777899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.777899 (E_RNA) where: Base-Base interactions energy: -834.741 where: short stacking energy: -351.596 Base-Backbone interact. energy: -0.687 local terms energy: -436.349445 where: bonds (distance) C4'-P energy: -77.126 bonds (distance) P-C4' energy: -97.610 flat angles C4'-P-C4' energy: -100.780 flat angles P-C4'-P energy: -81.702 tors. eta vs tors. theta energy: -79.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -757.543533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.543533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.543533 (E_RNA) where: Base-Base interactions energy: -402.306 where: short stacking energy: -234.496 Base-Backbone interact. energy: -0.115 local terms energy: -355.122974 where: bonds (distance) C4'-P energy: -94.120 bonds (distance) P-C4' energy: -94.156 flat angles C4'-P-C4' energy: -93.375 flat angles P-C4'-P energy: -52.699 tors. eta vs tors. theta energy: -20.774 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: 9 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -889.180415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.180415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.180415 (E_RNA) where: Base-Base interactions energy: -533.893 where: short stacking energy: -263.612 Base-Backbone interact. energy: -0.536 local terms energy: -354.752011 where: bonds (distance) C4'-P energy: -99.541 bonds (distance) P-C4' energy: -94.562 flat angles C4'-P-C4' energy: -93.874 flat angles P-C4'-P energy: -36.615 tors. eta vs tors. theta energy: -30.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2179.583331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.583331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.583331 (E_RNA) where: Base-Base interactions energy: -1522.500 where: short stacking energy: -630.107 Base-Backbone interact. energy: -1.219 local terms energy: -655.864609 where: bonds (distance) C4'-P energy: -128.346 bonds (distance) P-C4' energy: -131.021 flat angles C4'-P-C4' energy: -135.245 flat angles P-C4'-P energy: -83.450 tors. eta vs tors. theta energy: -177.801 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: 5 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2084.182006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.182006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.182006 (E_RNA) where: Base-Base interactions energy: -1476.363 where: short stacking energy: -604.105 Base-Backbone interact. energy: 1.211 local terms energy: -609.029949 where: bonds (distance) C4'-P energy: -105.695 bonds (distance) P-C4' energy: -123.560 flat angles C4'-P-C4' energy: -125.214 flat angles P-C4'-P energy: -95.132 tors. eta vs tors. theta energy: -159.429 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: 3, replica: 2 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2055.679087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.679087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.679087 (E_RNA) where: Base-Base interactions energy: -1439.489 where: short stacking energy: -614.778 Base-Backbone interact. energy: -2.980 local terms energy: -613.210119 where: bonds (distance) C4'-P energy: -113.707 bonds (distance) P-C4' energy: -119.869 flat angles C4'-P-C4' energy: -127.172 flat angles P-C4'-P energy: -87.888 tors. eta vs tors. theta energy: -164.574 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: 4, replica: 10 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1990.270770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.270770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.270770 (E_RNA) where: Base-Base interactions energy: -1381.974 where: short stacking energy: -581.558 Base-Backbone interact. energy: -2.366 local terms energy: -605.931566 where: bonds (distance) C4'-P energy: -105.378 bonds (distance) P-C4' energy: -116.865 flat angles C4'-P-C4' energy: -126.530 flat angles P-C4'-P energy: -81.872 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: 5, replica: 8 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1819.038396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.038396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.038396 (E_RNA) where: Base-Base interactions energy: -1244.651 where: short stacking energy: -518.973 Base-Backbone interact. energy: -3.114 local terms energy: -571.272996 where: bonds (distance) C4'-P energy: -110.684 bonds (distance) P-C4' energy: -105.350 flat angles C4'-P-C4' energy: -120.871 flat angles P-C4'-P energy: -91.456 tors. eta vs tors. theta energy: -142.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1711.305339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.305339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.305339 (E_RNA) where: Base-Base interactions energy: -1175.721 where: short stacking energy: -488.231 Base-Backbone interact. energy: -4.314 local terms energy: -531.269963 where: bonds (distance) C4'-P energy: -114.016 bonds (distance) P-C4' energy: -110.123 flat angles C4'-P-C4' energy: -97.399 flat angles P-C4'-P energy: -79.721 tors. eta vs tors. theta energy: -130.011 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: 6 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1562.203515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.203515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.203515 (E_RNA) where: Base-Base interactions energy: -1073.832 where: short stacking energy: -457.618 Base-Backbone interact. energy: -1.898 local terms energy: -486.473442 where: bonds (distance) C4'-P energy: -106.989 bonds (distance) P-C4' energy: -102.572 flat angles C4'-P-C4' energy: -114.060 flat angles P-C4'-P energy: -50.144 tors. eta vs tors. theta energy: -112.709 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: 1 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1292.732153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.732153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.732153 (E_RNA) where: Base-Base interactions energy: -821.876 where: short stacking energy: -378.573 Base-Backbone interact. energy: 0.808 local terms energy: -471.663999 where: bonds (distance) C4'-P energy: -114.489 bonds (distance) P-C4' energy: -102.551 flat angles C4'-P-C4' energy: -108.519 flat angles P-C4'-P energy: -72.233 tors. eta vs tors. theta energy: -73.871 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: 9, replica: 9 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -984.877994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.877994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.877994 (E_RNA) where: Base-Base interactions energy: -605.722 where: short stacking energy: -309.369 Base-Backbone interact. energy: -0.489 local terms energy: -378.667132 where: bonds (distance) C4'-P energy: -103.888 bonds (distance) P-C4' energy: -102.085 flat angles C4'-P-C4' energy: -77.735 flat angles P-C4'-P energy: -56.106 tors. eta vs tors. theta energy: -38.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -702.999700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.999700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.999700 (E_RNA) where: Base-Base interactions energy: -356.195 where: short stacking energy: -185.762 Base-Backbone interact. energy: 2.623 local terms energy: -349.427902 where: bonds (distance) C4'-P energy: -89.678 bonds (distance) P-C4' energy: -95.520 flat angles C4'-P-C4' energy: -98.901 flat angles P-C4'-P energy: -62.996 tors. eta vs tors. theta energy: -2.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2143.263777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.263777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.263777 (E_RNA) where: Base-Base interactions energy: -1474.497 where: short stacking energy: -645.790 Base-Backbone interact. energy: -1.930 local terms energy: -666.837038 where: bonds (distance) C4'-P energy: -120.604 bonds (distance) P-C4' energy: -122.968 flat angles C4'-P-C4' energy: -152.269 flat angles P-C4'-P energy: -89.690 tors. eta vs tors. theta energy: -181.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2118.385472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.385472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.385472 (E_RNA) where: Base-Base interactions energy: -1446.686 where: short stacking energy: -609.562 Base-Backbone interact. energy: -2.504 local terms energy: -669.194820 where: bonds (distance) C4'-P energy: -129.685 bonds (distance) P-C4' energy: -118.439 flat angles C4'-P-C4' energy: -144.807 flat angles P-C4'-P energy: -95.533 tors. eta vs tors. theta energy: -180.730 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: 5 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2051.344236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.344236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.344236 (E_RNA) where: Base-Base interactions energy: -1450.633 where: short stacking energy: -604.599 Base-Backbone interact. energy: -2.205 local terms energy: -598.506430 where: bonds (distance) C4'-P energy: -114.038 bonds (distance) P-C4' energy: -105.758 flat angles C4'-P-C4' energy: -131.810 flat angles P-C4'-P energy: -76.689 tors. eta vs tors. theta energy: -170.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1970.766626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.766626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.766626 (E_RNA) where: Base-Base interactions energy: -1373.775 where: short stacking energy: -565.232 Base-Backbone interact. energy: -2.181 local terms energy: -594.810936 where: bonds (distance) C4'-P energy: -111.460 bonds (distance) P-C4' energy: -113.799 flat angles C4'-P-C4' energy: -120.122 flat angles P-C4'-P energy: -92.524 tors. eta vs tors. theta energy: -156.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1754.038023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.038023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.038023 (E_RNA) where: Base-Base interactions energy: -1203.775 where: short stacking energy: -522.131 Base-Backbone interact. energy: -2.504 local terms energy: -547.758870 where: bonds (distance) C4'-P energy: -113.588 bonds (distance) P-C4' energy: -100.497 flat angles C4'-P-C4' energy: -117.758 flat angles P-C4'-P energy: -76.853 tors. eta vs tors. theta energy: -139.064 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: 7 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1770.966895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.966895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.966895 (E_RNA) where: Base-Base interactions energy: -1220.945 where: short stacking energy: -530.117 Base-Backbone interact. energy: 1.750 local terms energy: -551.772241 where: bonds (distance) C4'-P energy: -102.032 bonds (distance) P-C4' energy: -114.819 flat angles C4'-P-C4' energy: -108.576 flat angles P-C4'-P energy: -82.914 tors. eta vs tors. theta energy: -143.431 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: 6 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1668.407160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.407160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.407160 (E_RNA) where: Base-Base interactions energy: -1149.533 where: short stacking energy: -522.903 Base-Backbone interact. energy: -3.230 local terms energy: -515.644188 where: bonds (distance) C4'-P energy: -81.037 bonds (distance) P-C4' energy: -100.415 flat angles C4'-P-C4' energy: -125.014 flat angles P-C4'-P energy: -73.528 tors. eta vs tors. theta energy: -135.649 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: 1 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1322.376830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.376830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.376830 (E_RNA) where: Base-Base interactions energy: -893.181 where: short stacking energy: -416.467 Base-Backbone interact. energy: -2.268 local terms energy: -426.927317 where: bonds (distance) C4'-P energy: -99.076 bonds (distance) P-C4' energy: -89.563 flat angles C4'-P-C4' energy: -91.960 flat angles P-C4'-P energy: -76.182 tors. eta vs tors. theta energy: -70.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -947.412717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.412717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.412717 (E_RNA) where: Base-Base interactions energy: -579.712 where: short stacking energy: -257.972 Base-Backbone interact. energy: -1.049 local terms energy: -366.651664 where: bonds (distance) C4'-P energy: -106.607 bonds (distance) P-C4' energy: -105.318 flat angles C4'-P-C4' energy: -92.427 flat angles P-C4'-P energy: -41.763 tors. eta vs tors. theta energy: -20.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -739.466075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.466075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.466075 (E_RNA) where: Base-Base interactions energy: -348.330 where: short stacking energy: -192.475 Base-Backbone interact. energy: 3.606 local terms energy: -394.742235 where: bonds (distance) C4'-P energy: -123.588 bonds (distance) P-C4' energy: -117.632 flat angles C4'-P-C4' energy: -97.389 flat angles P-C4'-P energy: -45.296 tors. eta vs tors. theta energy: -10.838 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: 1, replica: 3 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2192.622829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.622829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.622829 (E_RNA) where: Base-Base interactions energy: -1547.587 where: short stacking energy: -637.023 Base-Backbone interact. energy: -4.519 local terms energy: -640.516705 where: bonds (distance) C4'-P energy: -111.583 bonds (distance) P-C4' energy: -120.201 flat angles C4'-P-C4' energy: -142.480 flat angles P-C4'-P energy: -86.225 tors. eta vs tors. theta energy: -180.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2133.933003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.933003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.933003 (E_RNA) where: Base-Base interactions energy: -1481.023 where: short stacking energy: -638.157 Base-Backbone interact. energy: -3.811 local terms energy: -649.098680 where: bonds (distance) C4'-P energy: -114.101 bonds (distance) P-C4' energy: -118.807 flat angles C4'-P-C4' energy: -150.892 flat angles P-C4'-P energy: -88.218 tors. eta vs tors. theta energy: -177.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2040.215584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.215584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.215584 (E_RNA) where: Base-Base interactions energy: -1417.240 where: short stacking energy: -579.159 Base-Backbone interact. energy: -0.971 local terms energy: -622.004652 where: bonds (distance) C4'-P energy: -116.311 bonds (distance) P-C4' energy: -118.343 flat angles C4'-P-C4' energy: -140.933 flat angles P-C4'-P energy: -76.211 tors. eta vs tors. theta energy: -170.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1945.015009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.015009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.015009 (E_RNA) where: Base-Base interactions energy: -1332.229 where: short stacking energy: -563.939 Base-Backbone interact. energy: -4.565 local terms energy: -608.220717 where: bonds (distance) C4'-P energy: -100.977 bonds (distance) P-C4' energy: -122.972 flat angles C4'-P-C4' energy: -130.779 flat angles P-C4'-P energy: -89.838 tors. eta vs tors. theta energy: -163.655 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: 7 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1759.105784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.105784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.105784 (E_RNA) where: Base-Base interactions energy: -1217.665 where: short stacking energy: -512.906 Base-Backbone interact. energy: 1.893 local terms energy: -543.333544 where: bonds (distance) C4'-P energy: -116.416 bonds (distance) P-C4' energy: -116.594 flat angles C4'-P-C4' energy: -106.967 flat angles P-C4'-P energy: -78.216 tors. eta vs tors. theta energy: -125.140 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: 8 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1698.288663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.288663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.288663 (E_RNA) where: Base-Base interactions energy: -1169.519 where: short stacking energy: -479.871 Base-Backbone interact. energy: -0.203 local terms energy: -528.566823 where: bonds (distance) C4'-P energy: -109.746 bonds (distance) P-C4' energy: -105.419 flat angles C4'-P-C4' energy: -121.521 flat angles P-C4'-P energy: -71.693 tors. eta vs tors. theta energy: -120.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1646.399549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.399549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.399549 (E_RNA) where: Base-Base interactions energy: -1095.492 where: short stacking energy: -479.134 Base-Backbone interact. energy: -1.232 local terms energy: -549.675898 where: bonds (distance) C4'-P energy: -116.658 bonds (distance) P-C4' energy: -104.245 flat angles C4'-P-C4' energy: -124.270 flat angles P-C4'-P energy: -78.743 tors. eta vs tors. theta energy: -125.759 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: 1 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1308.896724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.896724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.896724 (E_RNA) where: Base-Base interactions energy: -872.196 where: short stacking energy: -379.240 Base-Backbone interact. energy: -3.412 local terms energy: -433.287753 where: bonds (distance) C4'-P energy: -103.995 bonds (distance) P-C4' energy: -111.112 flat angles C4'-P-C4' energy: -90.821 flat angles P-C4'-P energy: -65.426 tors. eta vs tors. theta energy: -61.934 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: 9 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1043.765304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.765304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.765304 (E_RNA) where: Base-Base interactions energy: -650.957 where: short stacking energy: -315.759 Base-Backbone interact. energy: -3.067 local terms energy: -389.741110 where: bonds (distance) C4'-P energy: -95.184 bonds (distance) P-C4' energy: -95.607 flat angles C4'-P-C4' energy: -106.979 flat angles P-C4'-P energy: -47.557 tors. eta vs tors. theta energy: -44.414 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: 4 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -724.561514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.561514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.561514 (E_RNA) where: Base-Base interactions energy: -360.081 where: short stacking energy: -220.631 Base-Backbone interact. energy: 1.426 local terms energy: -365.906973 where: bonds (distance) C4'-P energy: -92.145 bonds (distance) P-C4' energy: -109.996 flat angles C4'-P-C4' energy: -87.761 flat angles P-C4'-P energy: -57.891 tors. eta vs tors. theta energy: -18.114 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: 3 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2156.555817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.555817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.555817 (E_RNA) where: Base-Base interactions energy: -1501.148 where: short stacking energy: -642.166 Base-Backbone interact. energy: -0.355 local terms energy: -655.053183 where: bonds (distance) C4'-P energy: -104.374 bonds (distance) P-C4' energy: -130.390 flat angles C4'-P-C4' energy: -136.176 flat angles P-C4'-P energy: -95.429 tors. eta vs tors. theta energy: -188.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2152.820465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.820465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.820465 (E_RNA) where: Base-Base interactions energy: -1512.665 where: short stacking energy: -627.844 Base-Backbone interact. energy: -1.909 local terms energy: -638.246130 where: bonds (distance) C4'-P energy: -114.641 bonds (distance) P-C4' energy: -115.344 flat angles C4'-P-C4' energy: -138.903 flat angles P-C4'-P energy: -96.883 tors. eta vs tors. theta energy: -172.475 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: 5 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2050.165635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.165635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.165635 (E_RNA) where: Base-Base interactions energy: -1447.478 where: short stacking energy: -602.364 Base-Backbone interact. energy: -2.254 local terms energy: -600.433675 where: bonds (distance) C4'-P energy: -115.568 bonds (distance) P-C4' energy: -105.275 flat angles C4'-P-C4' energy: -127.847 flat angles P-C4'-P energy: -84.715 tors. eta vs tors. theta energy: -167.029 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: 10 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1987.012596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.012596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.012596 (E_RNA) where: Base-Base interactions energy: -1371.784 where: short stacking energy: -592.392 Base-Backbone interact. energy: -0.996 local terms energy: -614.233137 where: bonds (distance) C4'-P energy: -112.475 bonds (distance) P-C4' energy: -105.343 flat angles C4'-P-C4' energy: -131.440 flat angles P-C4'-P energy: -90.761 tors. eta vs tors. theta energy: -174.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1820.748923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.748923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.748923 (E_RNA) where: Base-Base interactions energy: -1260.765 where: short stacking energy: -549.505 Base-Backbone interact. energy: -1.363 local terms energy: -558.621821 where: bonds (distance) C4'-P energy: -93.943 bonds (distance) P-C4' energy: -107.158 flat angles C4'-P-C4' energy: -126.983 flat angles P-C4'-P energy: -70.663 tors. eta vs tors. theta energy: -159.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1740.733398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.733398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.733398 (E_RNA) where: Base-Base interactions energy: -1179.667 where: short stacking energy: -500.604 Base-Backbone interact. energy: 2.559 local terms energy: -563.625582 where: bonds (distance) C4'-P energy: -105.917 bonds (distance) P-C4' energy: -118.215 flat angles C4'-P-C4' energy: -118.279 flat angles P-C4'-P energy: -92.052 tors. eta vs tors. theta energy: -129.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1636.964983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.964983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.964983 (E_RNA) where: Base-Base interactions energy: -1117.688 where: short stacking energy: -495.222 Base-Backbone interact. energy: 0.246 local terms energy: -519.522603 where: bonds (distance) C4'-P energy: -101.825 bonds (distance) P-C4' energy: -97.774 flat angles C4'-P-C4' energy: -113.705 flat angles P-C4'-P energy: -77.252 tors. eta vs tors. theta energy: -128.967 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: 8, replica: 1 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1243.590021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.590021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.590021 (E_RNA) where: Base-Base interactions energy: -810.745 where: short stacking energy: -354.415 Base-Backbone interact. energy: 0.110 local terms energy: -432.954585 where: bonds (distance) C4'-P energy: -102.768 bonds (distance) P-C4' energy: -107.684 flat angles C4'-P-C4' energy: -106.346 flat angles P-C4'-P energy: -55.261 tors. eta vs tors. theta energy: -60.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1054.347685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.347685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.347685 (E_RNA) where: Base-Base interactions energy: -646.415 where: short stacking energy: -314.259 Base-Backbone interact. energy: 6.194 local terms energy: -414.126295 where: bonds (distance) C4'-P energy: -92.225 bonds (distance) P-C4' energy: -95.469 flat angles C4'-P-C4' energy: -104.787 flat angles P-C4'-P energy: -67.852 tors. eta vs tors. theta energy: -53.793 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: 4 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -775.175494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.175494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.175494 (E_RNA) where: Base-Base interactions energy: -435.223 where: short stacking energy: -234.407 Base-Backbone interact. energy: -1.012 local terms energy: -338.940058 where: bonds (distance) C4'-P energy: -101.975 bonds (distance) P-C4' energy: -89.985 flat angles C4'-P-C4' energy: -80.405 flat angles P-C4'-P energy: -33.912 tors. eta vs tors. theta energy: -32.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2163.545236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.545236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.545236 (E_RNA) where: Base-Base interactions energy: -1526.857 where: short stacking energy: -618.949 Base-Backbone interact. energy: -3.654 local terms energy: -633.034879 where: bonds (distance) C4'-P energy: -120.558 bonds (distance) P-C4' energy: -123.980 flat angles C4'-P-C4' energy: -132.033 flat angles P-C4'-P energy: -85.661 tors. eta vs tors. theta energy: -170.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2148.398738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.398738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.398738 (E_RNA) where: Base-Base interactions energy: -1481.685 where: short stacking energy: -639.425 Base-Backbone interact. energy: -4.158 local terms energy: -662.555171 where: bonds (distance) C4'-P energy: -131.814 bonds (distance) P-C4' energy: -117.722 flat angles C4'-P-C4' energy: -140.137 flat angles P-C4'-P energy: -92.661 tors. eta vs tors. theta energy: -180.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2051.751279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.751279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.751279 (E_RNA) where: Base-Base interactions energy: -1436.848 where: short stacking energy: -581.965 Base-Backbone interact. energy: -4.769 local terms energy: -610.134737 where: bonds (distance) C4'-P energy: -123.652 bonds (distance) P-C4' energy: -104.713 flat angles C4'-P-C4' energy: -127.491 flat angles P-C4'-P energy: -81.907 tors. eta vs tors. theta energy: -172.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1962.458943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.458943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.458943 (E_RNA) where: Base-Base interactions energy: -1384.833 where: short stacking energy: -592.960 Base-Backbone interact. energy: 1.790 local terms energy: -579.416230 where: bonds (distance) C4'-P energy: -86.894 bonds (distance) P-C4' energy: -113.694 flat angles C4'-P-C4' energy: -132.067 flat angles P-C4'-P energy: -81.242 tors. eta vs tors. theta energy: -165.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1798.941564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.941564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.941564 (E_RNA) where: Base-Base interactions energy: -1240.139 where: short stacking energy: -553.429 Base-Backbone interact. energy: -1.837 local terms energy: -556.966192 where: bonds (distance) C4'-P energy: -108.424 bonds (distance) P-C4' energy: -93.743 flat angles C4'-P-C4' energy: -129.445 flat angles P-C4'-P energy: -77.804 tors. eta vs tors. theta energy: -147.550 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: 8 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1669.470358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.470358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.470358 (E_RNA) where: Base-Base interactions energy: -1152.539 where: short stacking energy: -483.807 Base-Backbone interact. energy: -2.210 local terms energy: -514.721129 where: bonds (distance) C4'-P energy: -103.918 bonds (distance) P-C4' energy: -101.229 flat angles C4'-P-C4' energy: -112.556 flat angles P-C4'-P energy: -72.081 tors. eta vs tors. theta energy: -124.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1542.873646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.873646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.873646 (E_RNA) where: Base-Base interactions energy: -1032.146 where: short stacking energy: -452.442 Base-Backbone interact. energy: 0.128 local terms energy: -510.855561 where: bonds (distance) C4'-P energy: -96.516 bonds (distance) P-C4' energy: -96.094 flat angles C4'-P-C4' energy: -121.680 flat angles P-C4'-P energy: -71.709 tors. eta vs tors. theta energy: -124.856 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: 8, replica: 1 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1285.354689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.354689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.354689 (E_RNA) where: Base-Base interactions energy: -859.305 where: short stacking energy: -386.776 Base-Backbone interact. energy: 1.081 local terms energy: -427.130800 where: bonds (distance) C4'-P energy: -92.740 bonds (distance) P-C4' energy: -92.161 flat angles C4'-P-C4' energy: -105.183 flat angles P-C4'-P energy: -54.595 tors. eta vs tors. theta energy: -82.452 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: 9 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1080.747345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.747345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.747345 (E_RNA) where: Base-Base interactions energy: -668.416 where: short stacking energy: -320.959 Base-Backbone interact. energy: 1.205 local terms energy: -413.536466 where: bonds (distance) C4'-P energy: -87.353 bonds (distance) P-C4' energy: -106.260 flat angles C4'-P-C4' energy: -100.239 flat angles P-C4'-P energy: -68.474 tors. eta vs tors. theta energy: -51.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -777.709575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.709575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.709575 (E_RNA) where: Base-Base interactions energy: -424.366 where: short stacking energy: -218.999 Base-Backbone interact. energy: 7.829 local terms energy: -361.173130 where: bonds (distance) C4'-P energy: -98.353 bonds (distance) P-C4' energy: -105.730 flat angles C4'-P-C4' energy: -104.010 flat angles P-C4'-P energy: -47.194 tors. eta vs tors. theta energy: -5.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2162.429878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.429878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.429878 (E_RNA) where: Base-Base interactions energy: -1530.803 where: short stacking energy: -640.279 Base-Backbone interact. energy: -1.261 local terms energy: -630.365978 where: bonds (distance) C4'-P energy: -111.075 bonds (distance) P-C4' energy: -120.850 flat angles C4'-P-C4' energy: -137.857 flat angles P-C4'-P energy: -83.532 tors. eta vs tors. theta energy: -177.052 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: 2, replica: 3 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2090.402657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.402657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.402657 (E_RNA) where: Base-Base interactions energy: -1453.293 where: short stacking energy: -613.058 Base-Backbone interact. energy: -1.442 local terms energy: -635.668039 where: bonds (distance) C4'-P energy: -110.508 bonds (distance) P-C4' energy: -117.755 flat angles C4'-P-C4' energy: -142.987 flat angles P-C4'-P energy: -87.313 tors. eta vs tors. theta energy: -177.105 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: 5 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2065.745135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.745135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.745135 (E_RNA) where: Base-Base interactions energy: -1427.378 where: short stacking energy: -619.856 Base-Backbone interact. energy: -1.856 local terms energy: -636.511763 where: bonds (distance) C4'-P energy: -119.044 bonds (distance) P-C4' energy: -115.700 flat angles C4'-P-C4' energy: -132.713 flat angles P-C4'-P energy: -95.893 tors. eta vs tors. theta energy: -173.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1952.860326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.860326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.860326 (E_RNA) where: Base-Base interactions energy: -1353.079 where: short stacking energy: -557.074 Base-Backbone interact. energy: 1.413 local terms energy: -601.194196 where: bonds (distance) C4'-P energy: -113.606 bonds (distance) P-C4' energy: -102.010 flat angles C4'-P-C4' energy: -136.551 flat angles P-C4'-P energy: -87.803 tors. eta vs tors. theta energy: -161.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1816.631076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.631076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.631076 (E_RNA) where: Base-Base interactions energy: -1236.429 where: short stacking energy: -527.255 Base-Backbone interact. energy: -3.075 local terms energy: -577.126610 where: bonds (distance) C4'-P energy: -97.218 bonds (distance) P-C4' energy: -122.808 flat angles C4'-P-C4' energy: -140.891 flat angles P-C4'-P energy: -82.852 tors. eta vs tors. theta energy: -133.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1682.857903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.857903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.857903 (E_RNA) where: Base-Base interactions energy: -1154.439 where: short stacking energy: -519.348 Base-Backbone interact. energy: 0.104 local terms energy: -528.522790 where: bonds (distance) C4'-P energy: -108.392 bonds (distance) P-C4' energy: -94.462 flat angles C4'-P-C4' energy: -105.918 flat angles P-C4'-P energy: -89.578 tors. eta vs tors. theta energy: -130.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1595.616039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.616039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.616039 (E_RNA) where: Base-Base interactions energy: -1099.007 where: short stacking energy: -495.354 Base-Backbone interact. energy: 3.112 local terms energy: -499.721248 where: bonds (distance) C4'-P energy: -94.622 bonds (distance) P-C4' energy: -101.743 flat angles C4'-P-C4' energy: -124.281 flat angles P-C4'-P energy: -57.790 tors. eta vs tors. theta energy: -121.285 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: 1 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1301.061906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.061906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.061906 (E_RNA) where: Base-Base interactions energy: -837.402 where: short stacking energy: -388.669 Base-Backbone interact. energy: -3.474 local terms energy: -460.186226 where: bonds (distance) C4'-P energy: -88.919 bonds (distance) P-C4' energy: -104.752 flat angles C4'-P-C4' energy: -118.792 flat angles P-C4'-P energy: -67.361 tors. eta vs tors. theta energy: -80.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1033.327068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.327068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.327068 (E_RNA) where: Base-Base interactions energy: -654.348 where: short stacking energy: -280.280 Base-Backbone interact. energy: -1.748 local terms energy: -377.231125 where: bonds (distance) C4'-P energy: -98.539 bonds (distance) P-C4' energy: -103.670 flat angles C4'-P-C4' energy: -106.803 flat angles P-C4'-P energy: -46.114 tors. eta vs tors. theta energy: -22.105 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: 4 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -778.526879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.526879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.526879 (E_RNA) where: Base-Base interactions energy: -434.262 where: short stacking energy: -226.736 Base-Backbone interact. energy: 1.831 local terms energy: -346.095440 where: bonds (distance) C4'-P energy: -95.150 bonds (distance) P-C4' energy: -84.405 flat angles C4'-P-C4' energy: -101.143 flat angles P-C4'-P energy: -41.503 tors. eta vs tors. theta energy: -23.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2180.636571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.636571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.636571 (E_RNA) where: Base-Base interactions energy: -1527.943 where: short stacking energy: -646.451 Base-Backbone interact. energy: -0.863 local terms energy: -651.830264 where: bonds (distance) C4'-P energy: -125.535 bonds (distance) P-C4' energy: -118.245 flat angles C4'-P-C4' energy: -150.325 flat angles P-C4'-P energy: -87.741 tors. eta vs tors. theta energy: -169.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2100.636298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.636298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.636298 (E_RNA) where: Base-Base interactions energy: -1463.368 where: short stacking energy: -600.673 Base-Backbone interact. energy: 3.802 local terms energy: -641.070229 where: bonds (distance) C4'-P energy: -116.589 bonds (distance) P-C4' energy: -110.698 flat angles C4'-P-C4' energy: -146.627 flat angles P-C4'-P energy: -87.113 tors. eta vs tors. theta energy: -180.044 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: 5 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2032.443846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.443846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.443846 (E_RNA) where: Base-Base interactions energy: -1400.368 where: short stacking energy: -571.147 Base-Backbone interact. energy: -4.095 local terms energy: -627.981599 where: bonds (distance) C4'-P energy: -115.421 bonds (distance) P-C4' energy: -105.008 flat angles C4'-P-C4' energy: -143.573 flat angles P-C4'-P energy: -93.749 tors. eta vs tors. theta energy: -170.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1948.761350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.761350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.761350 (E_RNA) where: Base-Base interactions energy: -1322.195 where: short stacking energy: -583.185 Base-Backbone interact. energy: -2.059 local terms energy: -624.508032 where: bonds (distance) C4'-P energy: -101.129 bonds (distance) P-C4' energy: -115.272 flat angles C4'-P-C4' energy: -134.149 flat angles P-C4'-P energy: -83.834 tors. eta vs tors. theta energy: -190.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1798.261726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.261726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.261726 (E_RNA) where: Base-Base interactions energy: -1254.174 where: short stacking energy: -538.253 Base-Backbone interact. energy: 0.640 local terms energy: -544.727804 where: bonds (distance) C4'-P energy: -95.800 bonds (distance) P-C4' energy: -120.792 flat angles C4'-P-C4' energy: -114.038 flat angles P-C4'-P energy: -83.273 tors. eta vs tors. theta energy: -130.826 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: 8 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1653.583779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.583779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.583779 (E_RNA) where: Base-Base interactions energy: -1138.028 where: short stacking energy: -499.063 Base-Backbone interact. energy: -2.296 local terms energy: -513.259981 where: bonds (distance) C4'-P energy: -97.486 bonds (distance) P-C4' energy: -103.287 flat angles C4'-P-C4' energy: -123.295 flat angles P-C4'-P energy: -57.066 tors. eta vs tors. theta energy: -132.127 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: 6 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1574.829187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.829187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.829187 (E_RNA) where: Base-Base interactions energy: -1078.777 where: short stacking energy: -469.056 Base-Backbone interact. energy: 0.103 local terms energy: -496.155351 where: bonds (distance) C4'-P energy: -109.786 bonds (distance) P-C4' energy: -98.627 flat angles C4'-P-C4' energy: -109.644 flat angles P-C4'-P energy: -59.544 tors. eta vs tors. theta energy: -118.556 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: 1 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1335.591706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.591706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.591706 (E_RNA) where: Base-Base interactions energy: -856.983 where: short stacking energy: -388.948 Base-Backbone interact. energy: -2.438 local terms energy: -476.170717 where: bonds (distance) C4'-P energy: -91.714 bonds (distance) P-C4' energy: -112.920 flat angles C4'-P-C4' energy: -113.147 flat angles P-C4'-P energy: -74.763 tors. eta vs tors. theta energy: -83.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1105.493651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.493651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.493651 (E_RNA) where: Base-Base interactions energy: -702.523 where: short stacking energy: -336.873 Base-Backbone interact. energy: 10.493 local terms energy: -413.463765 where: bonds (distance) C4'-P energy: -93.834 bonds (distance) P-C4' energy: -105.283 flat angles C4'-P-C4' energy: -94.190 flat angles P-C4'-P energy: -54.749 tors. eta vs tors. theta energy: -65.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -740.257732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.257732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.257732 (E_RNA) where: Base-Base interactions energy: -367.132 where: short stacking energy: -209.834 Base-Backbone interact. energy: -1.734 local terms energy: -371.391112 where: bonds (distance) C4'-P energy: -104.738 bonds (distance) P-C4' energy: -95.359 flat angles C4'-P-C4' energy: -85.673 flat angles P-C4'-P energy: -63.452 tors. eta vs tors. theta energy: -22.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2182.109186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.109186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.109186 (E_RNA) where: Base-Base interactions energy: -1538.957 where: short stacking energy: -632.745 Base-Backbone interact. energy: -3.411 local terms energy: -639.741196 where: bonds (distance) C4'-P energy: -112.620 bonds (distance) P-C4' energy: -122.691 flat angles C4'-P-C4' energy: -140.934 flat angles P-C4'-P energy: -90.727 tors. eta vs tors. theta energy: -172.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2100.379876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.379876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.379876 (E_RNA) where: Base-Base interactions energy: -1462.548 where: short stacking energy: -630.499 Base-Backbone interact. energy: -1.547 local terms energy: -636.284510 where: bonds (distance) C4'-P energy: -124.634 bonds (distance) P-C4' energy: -107.547 flat angles C4'-P-C4' energy: -143.323 flat angles P-C4'-P energy: -79.150 tors. eta vs tors. theta energy: -181.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2035.056904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.056904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.056904 (E_RNA) where: Base-Base interactions energy: -1419.656 where: short stacking energy: -596.737 Base-Backbone interact. energy: -0.897 local terms energy: -614.503936 where: bonds (distance) C4'-P energy: -123.784 bonds (distance) P-C4' energy: -109.022 flat angles C4'-P-C4' energy: -125.243 flat angles P-C4'-P energy: -89.484 tors. eta vs tors. theta energy: -166.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1953.403554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.403554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.403554 (E_RNA) where: Base-Base interactions energy: -1356.943 where: short stacking energy: -592.860 Base-Backbone interact. energy: -1.530 local terms energy: -594.930021 where: bonds (distance) C4'-P energy: -122.861 bonds (distance) P-C4' energy: -117.430 flat angles C4'-P-C4' energy: -128.179 flat angles P-C4'-P energy: -66.182 tors. eta vs tors. theta energy: -160.279 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: 7 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1776.484590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.484590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.484590 (E_RNA) where: Base-Base interactions energy: -1214.751 where: short stacking energy: -530.589 Base-Backbone interact. energy: -0.934 local terms energy: -560.799280 where: bonds (distance) C4'-P energy: -96.764 bonds (distance) P-C4' energy: -98.024 flat angles C4'-P-C4' energy: -134.514 flat angles P-C4'-P energy: -89.245 tors. eta vs tors. theta energy: -142.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1677.739631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.739631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.739631 (E_RNA) where: Base-Base interactions energy: -1146.434 where: short stacking energy: -509.218 Base-Backbone interact. energy: 1.702 local terms energy: -533.007973 where: bonds (distance) C4'-P energy: -105.312 bonds (distance) P-C4' energy: -110.249 flat angles C4'-P-C4' energy: -113.155 flat angles P-C4'-P energy: -78.138 tors. eta vs tors. theta energy: -126.154 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: 6 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1595.513133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.513133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.513133 (E_RNA) where: Base-Base interactions energy: -1055.901 where: short stacking energy: -463.504 Base-Backbone interact. energy: 1.063 local terms energy: -540.675137 where: bonds (distance) C4'-P energy: -114.173 bonds (distance) P-C4' energy: -103.701 flat angles C4'-P-C4' energy: -119.971 flat angles P-C4'-P energy: -74.850 tors. eta vs tors. theta energy: -127.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1381.472193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.472193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.472193 (E_RNA) where: Base-Base interactions energy: -908.134 where: short stacking energy: -408.891 Base-Backbone interact. energy: 1.927 local terms energy: -475.264950 where: bonds (distance) C4'-P energy: -101.675 bonds (distance) P-C4' energy: -108.206 flat angles C4'-P-C4' energy: -109.820 flat angles P-C4'-P energy: -66.980 tors. eta vs tors. theta energy: -88.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1051.290528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.290528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.290528 (E_RNA) where: Base-Base interactions energy: -661.737 where: short stacking energy: -300.693 Base-Backbone interact. energy: -0.251 local terms energy: -389.302577 where: bonds (distance) C4'-P energy: -89.115 bonds (distance) P-C4' energy: -112.209 flat angles C4'-P-C4' energy: -82.326 flat angles P-C4'-P energy: -55.805 tors. eta vs tors. theta energy: -49.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -706.486715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.486715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.486715 (E_RNA) where: Base-Base interactions energy: -399.914 where: short stacking energy: -222.920 Base-Backbone interact. energy: -2.264 local terms energy: -304.308676 where: bonds (distance) C4'-P energy: -91.000 bonds (distance) P-C4' energy: -92.662 flat angles C4'-P-C4' energy: -84.448 flat angles P-C4'-P energy: -36.044 tors. eta vs tors. theta energy: -0.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2197.836189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.836189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.836189 (E_RNA) where: Base-Base interactions energy: -1534.990 where: short stacking energy: -625.640 Base-Backbone interact. energy: -3.943 local terms energy: -658.902503 where: bonds (distance) C4'-P energy: -125.465 bonds (distance) P-C4' energy: -143.254 flat angles C4'-P-C4' energy: -128.540 flat angles P-C4'-P energy: -89.558 tors. eta vs tors. theta energy: -172.086 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: 3 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2084.198664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.198664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.198664 (E_RNA) where: Base-Base interactions energy: -1458.873 where: short stacking energy: -624.656 Base-Backbone interact. energy: -2.873 local terms energy: -622.452271 where: bonds (distance) C4'-P energy: -103.258 bonds (distance) P-C4' energy: -137.572 flat angles C4'-P-C4' energy: -132.248 flat angles P-C4'-P energy: -74.972 tors. eta vs tors. theta energy: -174.403 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: 3, replica: 10 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2023.996447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.996447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.996447 (E_RNA) where: Base-Base interactions energy: -1405.352 where: short stacking energy: -604.903 Base-Backbone interact. energy: -1.385 local terms energy: -617.259495 where: bonds (distance) C4'-P energy: -115.039 bonds (distance) P-C4' energy: -127.599 flat angles C4'-P-C4' energy: -117.312 flat angles P-C4'-P energy: -82.895 tors. eta vs tors. theta energy: -174.414 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: 5 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2006.862856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.862856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.862856 (E_RNA) where: Base-Base interactions energy: -1405.445 where: short stacking energy: -605.090 Base-Backbone interact. energy: 2.826 local terms energy: -604.244185 where: bonds (distance) C4'-P energy: -117.109 bonds (distance) P-C4' energy: -109.968 flat angles C4'-P-C4' energy: -137.056 flat angles P-C4'-P energy: -85.114 tors. eta vs tors. theta energy: -154.997 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: 5, replica: 7 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1774.828353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.828353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.828353 (E_RNA) where: Base-Base interactions energy: -1224.647 where: short stacking energy: -518.122 Base-Backbone interact. energy: -0.050 local terms energy: -550.131510 where: bonds (distance) C4'-P energy: -110.974 bonds (distance) P-C4' energy: -95.069 flat angles C4'-P-C4' energy: -134.724 flat angles P-C4'-P energy: -68.296 tors. eta vs tors. theta energy: -141.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1693.799360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.799360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.799360 (E_RNA) where: Base-Base interactions energy: -1157.754 where: short stacking energy: -484.543 Base-Backbone interact. energy: -2.896 local terms energy: -533.148974 where: bonds (distance) C4'-P energy: -103.923 bonds (distance) P-C4' energy: -110.309 flat angles C4'-P-C4' energy: -125.130 flat angles P-C4'-P energy: -70.577 tors. eta vs tors. theta energy: -123.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1618.338380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.338380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.338380 (E_RNA) where: Base-Base interactions energy: -1073.324 where: short stacking energy: -475.443 Base-Backbone interact. energy: 0.328 local terms energy: -545.342515 where: bonds (distance) C4'-P energy: -101.028 bonds (distance) P-C4' energy: -99.499 flat angles C4'-P-C4' energy: -135.769 flat angles P-C4'-P energy: -83.251 tors. eta vs tors. theta energy: -125.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1345.899723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.899723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.899723 (E_RNA) where: Base-Base interactions energy: -902.527 where: short stacking energy: -429.952 Base-Backbone interact. energy: 1.050 local terms energy: -444.422107 where: bonds (distance) C4'-P energy: -93.109 bonds (distance) P-C4' energy: -104.117 flat angles C4'-P-C4' energy: -108.057 flat angles P-C4'-P energy: -56.785 tors. eta vs tors. theta energy: -82.353 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: 316 Temperature: 1.300000 Total energy: -1069.343486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.343486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.343486 (E_RNA) where: Base-Base interactions energy: -681.545 where: short stacking energy: -323.487 Base-Backbone interact. energy: 0.180 local terms energy: -387.978284 where: bonds (distance) C4'-P energy: -79.985 bonds (distance) P-C4' energy: -91.065 flat angles C4'-P-C4' energy: -99.933 flat angles P-C4'-P energy: -62.217 tors. eta vs tors. theta energy: -54.778 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: 4 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -717.523744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.523744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.523744 (E_RNA) where: Base-Base interactions energy: -355.415 where: short stacking energy: -203.993 Base-Backbone interact. energy: 3.415 local terms energy: -365.523908 where: bonds (distance) C4'-P energy: -101.454 bonds (distance) P-C4' energy: -90.872 flat angles C4'-P-C4' energy: -112.676 flat angles P-C4'-P energy: -55.306 tors. eta vs tors. theta energy: -5.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2200.137567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.137567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.137567 (E_RNA) where: Base-Base interactions energy: -1541.208 where: short stacking energy: -637.738 Base-Backbone interact. energy: -3.734 local terms energy: -655.194660 where: bonds (distance) C4'-P energy: -123.672 bonds (distance) P-C4' energy: -131.832 flat angles C4'-P-C4' energy: -135.417 flat angles P-C4'-P energy: -87.408 tors. eta vs tors. theta energy: -176.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2067.183014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.183014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.183014 (E_RNA) where: Base-Base interactions energy: -1383.961 where: short stacking energy: -623.460 Base-Backbone interact. energy: -3.697 local terms energy: -679.525434 where: bonds (distance) C4'-P energy: -127.764 bonds (distance) P-C4' energy: -132.820 flat angles C4'-P-C4' energy: -142.310 flat angles P-C4'-P energy: -100.601 tors. eta vs tors. theta energy: -176.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2021.147738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.147738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.147738 (E_RNA) where: Base-Base interactions energy: -1401.381 where: short stacking energy: -615.116 Base-Backbone interact. energy: -2.573 local terms energy: -617.193221 where: bonds (distance) C4'-P energy: -114.203 bonds (distance) P-C4' energy: -111.912 flat angles C4'-P-C4' energy: -144.797 flat angles P-C4'-P energy: -74.033 tors. eta vs tors. theta energy: -172.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1988.304198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.304198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.304198 (E_RNA) where: Base-Base interactions energy: -1388.962 where: short stacking energy: -583.615 Base-Backbone interact. energy: -4.691 local terms energy: -594.650533 where: bonds (distance) C4'-P energy: -127.796 bonds (distance) P-C4' energy: -112.592 flat angles C4'-P-C4' energy: -130.018 flat angles P-C4'-P energy: -78.590 tors. eta vs tors. theta energy: -145.655 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: 7 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1781.210642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.210642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.210642 (E_RNA) where: Base-Base interactions energy: -1206.528 where: short stacking energy: -529.208 Base-Backbone interact. energy: 0.049 local terms energy: -574.731811 where: bonds (distance) C4'-P energy: -113.408 bonds (distance) P-C4' energy: -102.303 flat angles C4'-P-C4' energy: -123.798 flat angles P-C4'-P energy: -83.912 tors. eta vs tors. theta energy: -151.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1745.544656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.544656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.544656 (E_RNA) where: Base-Base interactions energy: -1202.253 where: short stacking energy: -523.461 Base-Backbone interact. energy: -3.314 local terms energy: -539.977716 where: bonds (distance) C4'-P energy: -99.908 bonds (distance) P-C4' energy: -108.772 flat angles C4'-P-C4' energy: -123.109 flat angles P-C4'-P energy: -82.778 tors. eta vs tors. theta energy: -125.410 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: 6 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1591.693519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.693519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.693519 (E_RNA) where: Base-Base interactions energy: -1043.534 where: short stacking energy: -460.844 Base-Backbone interact. energy: -2.482 local terms energy: -545.677616 where: bonds (distance) C4'-P energy: -112.806 bonds (distance) P-C4' energy: -110.964 flat angles C4'-P-C4' energy: -129.350 flat angles P-C4'-P energy: -61.475 tors. eta vs tors. theta energy: -131.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1402.441539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.441539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.441539 (E_RNA) where: Base-Base interactions energy: -940.583 where: short stacking energy: -400.623 Base-Backbone interact. energy: 1.138 local terms energy: -462.996374 where: bonds (distance) C4'-P energy: -83.636 bonds (distance) P-C4' energy: -107.436 flat angles C4'-P-C4' energy: -104.635 flat angles P-C4'-P energy: -81.535 tors. eta vs tors. theta energy: -85.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1095.545750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.545750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.545750 (E_RNA) where: Base-Base interactions energy: -692.290 where: short stacking energy: -345.764 Base-Backbone interact. energy: -2.066 local terms energy: -401.190369 where: bonds (distance) C4'-P energy: -103.712 bonds (distance) P-C4' energy: -106.252 flat angles C4'-P-C4' energy: -91.243 flat angles P-C4'-P energy: -50.387 tors. eta vs tors. theta energy: -49.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -705.739142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.739142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.739142 (E_RNA) where: Base-Base interactions energy: -363.925 where: short stacking energy: -216.397 Base-Backbone interact. energy: 3.529 local terms energy: -345.343868 where: bonds (distance) C4'-P energy: -101.251 bonds (distance) P-C4' energy: -102.660 flat angles C4'-P-C4' energy: -77.603 flat angles P-C4'-P energy: -35.316 tors. eta vs tors. theta energy: -28.514 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: 2 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2207.128105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.128105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.128105 (E_RNA) where: Base-Base interactions energy: -1563.204 where: short stacking energy: -648.368 Base-Backbone interact. energy: 0.163 local terms energy: -644.087657 where: bonds (distance) C4'-P energy: -125.640 bonds (distance) P-C4' energy: -114.491 flat angles C4'-P-C4' energy: -150.805 flat angles P-C4'-P energy: -85.105 tors. eta vs tors. theta energy: -168.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2093.553985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.553985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.553985 (E_RNA) where: Base-Base interactions energy: -1463.892 where: short stacking energy: -614.590 Base-Backbone interact. energy: -0.239 local terms energy: -629.423035 where: bonds (distance) C4'-P energy: -114.486 bonds (distance) P-C4' energy: -116.572 flat angles C4'-P-C4' energy: -137.503 flat angles P-C4'-P energy: -87.373 tors. eta vs tors. theta energy: -173.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2043.959721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.959721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.959721 (E_RNA) where: Base-Base interactions energy: -1439.977 where: short stacking energy: -612.937 Base-Backbone interact. energy: -2.860 local terms energy: -601.122622 where: bonds (distance) C4'-P energy: -99.754 bonds (distance) P-C4' energy: -114.853 flat angles C4'-P-C4' energy: -126.828 flat angles P-C4'-P energy: -82.500 tors. eta vs tors. theta energy: -177.188 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: 3 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1990.180437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.180437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.180437 (E_RNA) where: Base-Base interactions energy: -1375.018 where: short stacking energy: -572.412 Base-Backbone interact. energy: -2.966 local terms energy: -612.197232 where: bonds (distance) C4'-P energy: -126.069 bonds (distance) P-C4' energy: -117.861 flat angles C4'-P-C4' energy: -127.051 flat angles P-C4'-P energy: -76.564 tors. eta vs tors. theta energy: -164.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1788.203877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.203877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.203877 (E_RNA) where: Base-Base interactions energy: -1218.269 where: short stacking energy: -524.634 Base-Backbone interact. energy: 1.274 local terms energy: -571.208847 where: bonds (distance) C4'-P energy: -119.227 bonds (distance) P-C4' energy: -108.186 flat angles C4'-P-C4' energy: -129.676 flat angles P-C4'-P energy: -72.352 tors. eta vs tors. theta energy: -141.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1743.256247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.256247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.256247 (E_RNA) where: Base-Base interactions energy: -1188.347 where: short stacking energy: -513.085 Base-Backbone interact. energy: -2.534 local terms energy: -552.374735 where: bonds (distance) C4'-P energy: -111.074 bonds (distance) P-C4' energy: -103.673 flat angles C4'-P-C4' energy: -121.140 flat angles P-C4'-P energy: -76.938 tors. eta vs tors. theta energy: -139.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1615.170609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.170609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.170609 (E_RNA) where: Base-Base interactions energy: -1089.101 where: short stacking energy: -492.914 Base-Backbone interact. energy: -3.384 local terms energy: -522.685895 where: bonds (distance) C4'-P energy: -94.913 bonds (distance) P-C4' energy: -99.605 flat angles C4'-P-C4' energy: -112.960 flat angles P-C4'-P energy: -72.207 tors. eta vs tors. theta energy: -143.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1375.249731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.249731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.249731 (E_RNA) where: Base-Base interactions energy: -895.501 where: short stacking energy: -385.250 Base-Backbone interact. energy: 2.729 local terms energy: -482.477649 where: bonds (distance) C4'-P energy: -99.258 bonds (distance) P-C4' energy: -121.535 flat angles C4'-P-C4' energy: -87.468 flat angles P-C4'-P energy: -88.358 tors. eta vs tors. theta energy: -85.859 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: 318 Temperature: 1.300000 Total energy: -1154.641073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.641073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.641073 (E_RNA) where: Base-Base interactions energy: -719.087 where: short stacking energy: -338.903 Base-Backbone interact. energy: 2.673 local terms energy: -438.227181 where: bonds (distance) C4'-P energy: -104.342 bonds (distance) P-C4' energy: -97.013 flat angles C4'-P-C4' energy: -102.288 flat angles P-C4'-P energy: -63.970 tors. eta vs tors. theta energy: -70.614 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: 4 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -735.552918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.552918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.552918 (E_RNA) where: Base-Base interactions energy: -429.352 where: short stacking energy: -225.030 Base-Backbone interact. energy: -2.318 local terms energy: -303.882751 where: bonds (distance) C4'-P energy: -79.088 bonds (distance) P-C4' energy: -94.714 flat angles C4'-P-C4' energy: -90.236 flat angles P-C4'-P energy: -46.952 tors. eta vs tors. theta energy: 7.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2218.461145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.461145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.461145 (E_RNA) where: Base-Base interactions energy: -1548.112 where: short stacking energy: -649.169 Base-Backbone interact. energy: -1.433 local terms energy: -668.916403 where: bonds (distance) C4'-P energy: -123.550 bonds (distance) P-C4' energy: -128.150 flat angles C4'-P-C4' energy: -140.237 flat angles P-C4'-P energy: -97.919 tors. eta vs tors. theta energy: -179.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2136.794741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.794741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.794741 (E_RNA) where: Base-Base interactions energy: -1469.688 where: short stacking energy: -620.014 Base-Backbone interact. energy: -1.279 local terms energy: -665.827513 where: bonds (distance) C4'-P energy: -125.488 bonds (distance) P-C4' energy: -123.938 flat angles C4'-P-C4' energy: -123.831 flat angles P-C4'-P energy: -102.534 tors. eta vs tors. theta energy: -190.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2011.427528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.427528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.427528 (E_RNA) where: Base-Base interactions energy: -1401.794 where: short stacking energy: -585.034 Base-Backbone interact. energy: -3.394 local terms energy: -606.239263 where: bonds (distance) C4'-P energy: -112.951 bonds (distance) P-C4' energy: -112.050 flat angles C4'-P-C4' energy: -125.897 flat angles P-C4'-P energy: -90.518 tors. eta vs tors. theta energy: -164.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1990.862112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.862112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.862112 (E_RNA) where: Base-Base interactions energy: -1380.835 where: short stacking energy: -588.654 Base-Backbone interact. energy: -0.318 local terms energy: -609.709205 where: bonds (distance) C4'-P energy: -120.217 bonds (distance) P-C4' energy: -100.574 flat angles C4'-P-C4' energy: -141.442 flat angles P-C4'-P energy: -84.779 tors. eta vs tors. theta energy: -162.697 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: 7 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1778.524803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.524803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.524803 (E_RNA) where: Base-Base interactions energy: -1234.459 where: short stacking energy: -519.157 Base-Backbone interact. energy: 0.038 local terms energy: -544.102934 where: bonds (distance) C4'-P energy: -99.398 bonds (distance) P-C4' energy: -124.362 flat angles C4'-P-C4' energy: -118.458 flat angles P-C4'-P energy: -65.664 tors. eta vs tors. theta energy: -136.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1680.581373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.581373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.581373 (E_RNA) where: Base-Base interactions energy: -1161.990 where: short stacking energy: -482.719 Base-Backbone interact. energy: -1.620 local terms energy: -516.971890 where: bonds (distance) C4'-P energy: -100.979 bonds (distance) P-C4' energy: -108.645 flat angles C4'-P-C4' energy: -114.632 flat angles P-C4'-P energy: -67.950 tors. eta vs tors. theta energy: -124.766 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: 6 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1553.503933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.503933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.503933 (E_RNA) where: Base-Base interactions energy: -1039.268 where: short stacking energy: -460.976 Base-Backbone interact. energy: -0.691 local terms energy: -513.544630 where: bonds (distance) C4'-P energy: -90.967 bonds (distance) P-C4' energy: -102.480 flat angles C4'-P-C4' energy: -123.518 flat angles P-C4'-P energy: -81.343 tors. eta vs tors. theta energy: -115.236 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: 8, replica: 1 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1242.554581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.554581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.554581 (E_RNA) where: Base-Base interactions energy: -788.792 where: short stacking energy: -354.317 Base-Backbone interact. energy: -2.414 local terms energy: -451.349150 where: bonds (distance) C4'-P energy: -94.552 bonds (distance) P-C4' energy: -106.700 flat angles C4'-P-C4' energy: -111.074 flat angles P-C4'-P energy: -67.250 tors. eta vs tors. theta energy: -71.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1134.053005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.053005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.053005 (E_RNA) where: Base-Base interactions energy: -691.017 where: short stacking energy: -310.264 Base-Backbone interact. energy: 2.325 local terms energy: -445.361038 where: bonds (distance) C4'-P energy: -105.103 bonds (distance) P-C4' energy: -108.380 flat angles C4'-P-C4' energy: -108.462 flat angles P-C4'-P energy: -65.348 tors. eta vs tors. theta energy: -58.069 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: 4 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -711.959199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.959199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.959199 (E_RNA) where: Base-Base interactions energy: -367.245 where: short stacking energy: -192.898 Base-Backbone interact. energy: 5.448 local terms energy: -350.162284 where: bonds (distance) C4'-P energy: -91.221 bonds (distance) P-C4' energy: -104.713 flat angles C4'-P-C4' energy: -90.556 flat angles P-C4'-P energy: -63.893 tors. eta vs tors. theta energy: 0.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2175.082644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.082644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.082644 (E_RNA) where: Base-Base interactions energy: -1543.348 where: short stacking energy: -632.234 Base-Backbone interact. energy: -0.117 local terms energy: -631.616918 where: bonds (distance) C4'-P energy: -131.654 bonds (distance) P-C4' energy: -108.286 flat angles C4'-P-C4' energy: -139.173 flat angles P-C4'-P energy: -82.300 tors. eta vs tors. theta energy: -170.204 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: 10 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2178.631392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.631392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.631392 (E_RNA) where: Base-Base interactions energy: -1525.134 where: short stacking energy: -644.047 Base-Backbone interact. energy: 1.760 local terms energy: -655.258301 where: bonds (distance) C4'-P energy: -117.645 bonds (distance) P-C4' energy: -112.990 flat angles C4'-P-C4' energy: -133.828 flat angles P-C4'-P energy: -95.642 tors. eta vs tors. theta energy: -195.153 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: 5 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2010.266325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.266325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.266325 (E_RNA) where: Base-Base interactions energy: -1405.896 where: short stacking energy: -579.949 Base-Backbone interact. energy: -0.391 local terms energy: -603.979305 where: bonds (distance) C4'-P energy: -131.319 bonds (distance) P-C4' energy: -98.678 flat angles C4'-P-C4' energy: -120.677 flat angles P-C4'-P energy: -92.612 tors. eta vs tors. theta energy: -160.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1967.246930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.246930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.246930 (E_RNA) where: Base-Base interactions energy: -1388.122 where: short stacking energy: -595.032 Base-Backbone interact. energy: -2.421 local terms energy: -576.704033 where: bonds (distance) C4'-P energy: -102.198 bonds (distance) P-C4' energy: -101.122 flat angles C4'-P-C4' energy: -135.956 flat angles P-C4'-P energy: -79.436 tors. eta vs tors. theta energy: -157.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1817.978103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.978103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.978103 (E_RNA) where: Base-Base interactions energy: -1238.832 where: short stacking energy: -540.067 Base-Backbone interact. energy: -0.793 local terms energy: -578.352934 where: bonds (distance) C4'-P energy: -105.028 bonds (distance) P-C4' energy: -110.532 flat angles C4'-P-C4' energy: -122.715 flat angles P-C4'-P energy: -84.882 tors. eta vs tors. theta energy: -155.196 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: 6, replica: 8 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1673.157813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.157813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.157813 (E_RNA) where: Base-Base interactions energy: -1139.253 where: short stacking energy: -469.537 Base-Backbone interact. energy: -4.136 local terms energy: -529.768844 where: bonds (distance) C4'-P energy: -105.469 bonds (distance) P-C4' energy: -113.048 flat angles C4'-P-C4' energy: -109.471 flat angles P-C4'-P energy: -78.084 tors. eta vs tors. theta energy: -123.697 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: 6 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1581.247324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.247324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.247324 (E_RNA) where: Base-Base interactions energy: -1080.231 where: short stacking energy: -485.488 Base-Backbone interact. energy: -1.158 local terms energy: -499.859070 where: bonds (distance) C4'-P energy: -117.156 bonds (distance) P-C4' energy: -87.102 flat angles C4'-P-C4' energy: -120.692 flat angles P-C4'-P energy: -62.466 tors. eta vs tors. theta energy: -112.443 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: 1 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1272.519734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.519734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.519734 (E_RNA) where: Base-Base interactions energy: -792.654 where: short stacking energy: -356.942 Base-Backbone interact. energy: -2.124 local terms energy: -477.741777 where: bonds (distance) C4'-P energy: -121.675 bonds (distance) P-C4' energy: -102.652 flat angles C4'-P-C4' energy: -92.277 flat angles P-C4'-P energy: -79.817 tors. eta vs tors. theta energy: -81.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1175.874992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.874992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.874992 (E_RNA) where: Base-Base interactions energy: -780.417 where: short stacking energy: -387.153 Base-Backbone interact. energy: 0.639 local terms energy: -396.096520 where: bonds (distance) C4'-P energy: -87.440 bonds (distance) P-C4' energy: -90.925 flat angles C4'-P-C4' energy: -89.504 flat angles P-C4'-P energy: -59.966 tors. eta vs tors. theta energy: -68.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -719.630973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.630973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.630973 (E_RNA) where: Base-Base interactions energy: -364.769 where: short stacking energy: -189.569 Base-Backbone interact. energy: 4.110 local terms energy: -358.971703 where: bonds (distance) C4'-P energy: -80.519 bonds (distance) P-C4' energy: -118.232 flat angles C4'-P-C4' energy: -92.257 flat angles P-C4'-P energy: -61.037 tors. eta vs tors. theta energy: -6.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2186.341588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.341588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.341588 (E_RNA) where: Base-Base interactions energy: -1557.987 where: short stacking energy: -642.094 Base-Backbone interact. energy: -0.864 local terms energy: -627.490253 where: bonds (distance) C4'-P energy: -117.221 bonds (distance) P-C4' energy: -122.118 flat angles C4'-P-C4' energy: -136.110 flat angles P-C4'-P energy: -74.997 tors. eta vs tors. theta energy: -177.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2144.336512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.336512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.336512 (E_RNA) where: Base-Base interactions energy: -1472.229 where: short stacking energy: -613.414 Base-Backbone interact. energy: -0.580 local terms energy: -671.527567 where: bonds (distance) C4'-P energy: -124.463 bonds (distance) P-C4' energy: -113.422 flat angles C4'-P-C4' energy: -142.259 flat angles P-C4'-P energy: -99.572 tors. eta vs tors. theta energy: -191.811 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: 5 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2032.952437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.952437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.952437 (E_RNA) where: Base-Base interactions energy: -1455.518 where: short stacking energy: -604.711 Base-Backbone interact. energy: -0.103 local terms energy: -577.331495 where: bonds (distance) C4'-P energy: -107.284 bonds (distance) P-C4' energy: -105.877 flat angles C4'-P-C4' energy: -131.219 flat angles P-C4'-P energy: -74.863 tors. eta vs tors. theta energy: -158.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1977.359811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.359811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.359811 (E_RNA) where: Base-Base interactions energy: -1398.044 where: short stacking energy: -598.423 Base-Backbone interact. energy: -2.604 local terms energy: -576.711847 where: bonds (distance) C4'-P energy: -116.283 bonds (distance) P-C4' energy: -93.766 flat angles C4'-P-C4' energy: -120.917 flat angles P-C4'-P energy: -85.465 tors. eta vs tors. theta energy: -160.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1771.076798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.076798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.076798 (E_RNA) where: Base-Base interactions energy: -1226.103 where: short stacking energy: -521.226 Base-Backbone interact. energy: -0.736 local terms energy: -544.237914 where: bonds (distance) C4'-P energy: -108.960 bonds (distance) P-C4' energy: -98.315 flat angles C4'-P-C4' energy: -128.257 flat angles P-C4'-P energy: -67.855 tors. eta vs tors. theta energy: -140.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1686.442274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.442274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.442274 (E_RNA) where: Base-Base interactions energy: -1150.675 where: short stacking energy: -528.249 Base-Backbone interact. energy: 3.362 local terms energy: -539.129737 where: bonds (distance) C4'-P energy: -95.112 bonds (distance) P-C4' energy: -104.730 flat angles C4'-P-C4' energy: -120.583 flat angles P-C4'-P energy: -79.528 tors. eta vs tors. theta energy: -139.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1566.567374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.567374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.567374 (E_RNA) where: Base-Base interactions energy: -1057.932 where: short stacking energy: -457.944 Base-Backbone interact. energy: -3.075 local terms energy: -505.560879 where: bonds (distance) C4'-P energy: -105.982 bonds (distance) P-C4' energy: -98.459 flat angles C4'-P-C4' energy: -105.850 flat angles P-C4'-P energy: -83.018 tors. eta vs tors. theta energy: -112.253 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: 1 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1273.568822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.568822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.568822 (E_RNA) where: Base-Base interactions energy: -841.662 where: short stacking energy: -377.982 Base-Backbone interact. energy: 2.993 local terms energy: -434.900437 where: bonds (distance) C4'-P energy: -97.109 bonds (distance) P-C4' energy: -89.269 flat angles C4'-P-C4' energy: -94.030 flat angles P-C4'-P energy: -63.598 tors. eta vs tors. theta energy: -90.895 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: 9, replica: 9 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1134.345357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.345357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.345357 (E_RNA) where: Base-Base interactions energy: -720.080 where: short stacking energy: -347.285 Base-Backbone interact. energy: 2.014 local terms energy: -416.279938 where: bonds (distance) C4'-P energy: -86.136 bonds (distance) P-C4' energy: -83.349 flat angles C4'-P-C4' energy: -123.358 flat angles P-C4'-P energy: -61.190 tors. eta vs tors. theta energy: -62.247 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: 4 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -736.801051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.801051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.801051 (E_RNA) where: Base-Base interactions energy: -384.218 where: short stacking energy: -225.699 Base-Backbone interact. energy: 0.216 local terms energy: -352.799687 where: bonds (distance) C4'-P energy: -96.393 bonds (distance) P-C4' energy: -97.947 flat angles C4'-P-C4' energy: -87.701 flat angles P-C4'-P energy: -53.278 tors. eta vs tors. theta energy: -17.480 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: 322 Temperature: 0.900000 Total energy: -2180.977908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.977908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.977908 (E_RNA) where: Base-Base interactions energy: -1524.980 where: short stacking energy: -645.808 Base-Backbone interact. energy: -2.760 local terms energy: -653.238322 where: bonds (distance) C4'-P energy: -110.815 bonds (distance) P-C4' energy: -124.825 flat angles C4'-P-C4' energy: -140.689 flat angles P-C4'-P energy: -96.168 tors. eta vs tors. theta energy: -180.741 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: 10 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2174.657749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.657749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.657749 (E_RNA) where: Base-Base interactions energy: -1514.557 where: short stacking energy: -650.042 Base-Backbone interact. energy: 0.111 local terms energy: -660.212362 where: bonds (distance) C4'-P energy: -120.634 bonds (distance) P-C4' energy: -115.009 flat angles C4'-P-C4' energy: -139.642 flat angles P-C4'-P energy: -94.992 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: 3, replica: 5 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1989.863672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.863672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.863672 (E_RNA) where: Base-Base interactions energy: -1419.078 where: short stacking energy: -584.763 Base-Backbone interact. energy: -2.284 local terms energy: -568.501770 where: bonds (distance) C4'-P energy: -98.684 bonds (distance) P-C4' energy: -103.690 flat angles C4'-P-C4' energy: -142.718 flat angles P-C4'-P energy: -76.336 tors. eta vs tors. theta energy: -147.075 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: 4, replica: 3 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1983.030086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.030086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.030086 (E_RNA) where: Base-Base interactions energy: -1387.374 where: short stacking energy: -594.513 Base-Backbone interact. energy: -2.185 local terms energy: -593.471295 where: bonds (distance) C4'-P energy: -114.518 bonds (distance) P-C4' energy: -97.060 flat angles C4'-P-C4' energy: -142.131 flat angles P-C4'-P energy: -73.609 tors. eta vs tors. theta energy: -166.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1806.936616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.936616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.936616 (E_RNA) where: Base-Base interactions energy: -1250.029 where: short stacking energy: -562.715 Base-Backbone interact. energy: -0.972 local terms energy: -555.936397 where: bonds (distance) C4'-P energy: -110.560 bonds (distance) P-C4' energy: -110.703 flat angles C4'-P-C4' energy: -128.986 flat angles P-C4'-P energy: -75.032 tors. eta vs tors. theta energy: -130.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1711.827980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.827980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.827980 (E_RNA) where: Base-Base interactions energy: -1167.321 where: short stacking energy: -497.215 Base-Backbone interact. energy: -2.472 local terms energy: -542.035230 where: bonds (distance) C4'-P energy: -113.684 bonds (distance) P-C4' energy: -110.180 flat angles C4'-P-C4' energy: -123.741 flat angles P-C4'-P energy: -70.376 tors. eta vs tors. theta energy: -124.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1569.665460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.665460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.665460 (E_RNA) where: Base-Base interactions energy: -1070.110 where: short stacking energy: -467.279 Base-Backbone interact. energy: -3.735 local terms energy: -495.820450 where: bonds (distance) C4'-P energy: -85.951 bonds (distance) P-C4' energy: -103.504 flat angles C4'-P-C4' energy: -113.286 flat angles P-C4'-P energy: -73.650 tors. eta vs tors. theta energy: -119.429 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: 1 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1287.913002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.913002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.913002 (E_RNA) where: Base-Base interactions energy: -822.501 where: short stacking energy: -390.939 Base-Backbone interact. energy: 1.890 local terms energy: -467.302316 where: bonds (distance) C4'-P energy: -111.969 bonds (distance) P-C4' energy: -108.410 flat angles C4'-P-C4' energy: -104.868 flat angles P-C4'-P energy: -65.080 tors. eta vs tors. theta energy: -76.975 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: 322 Temperature: 1.300000 Total energy: -1194.949870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.949870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.949870 (E_RNA) where: Base-Base interactions energy: -744.296 where: short stacking energy: -368.418 Base-Backbone interact. energy: -1.824 local terms energy: -448.830288 where: bonds (distance) C4'-P energy: -92.031 bonds (distance) P-C4' energy: -87.804 flat angles C4'-P-C4' energy: -109.831 flat angles P-C4'-P energy: -69.080 tors. eta vs tors. theta energy: -90.084 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: 4 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -748.481344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.481344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.481344 (E_RNA) where: Base-Base interactions energy: -387.382 where: short stacking energy: -229.133 Base-Backbone interact. energy: 0.064 local terms energy: -361.163186 where: bonds (distance) C4'-P energy: -99.147 bonds (distance) P-C4' energy: -97.827 flat angles C4'-P-C4' energy: -99.856 flat angles P-C4'-P energy: -54.802 tors. eta vs tors. theta energy: -9.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2182.522214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.522214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.522214 (E_RNA) where: Base-Base interactions energy: -1538.081 where: short stacking energy: -627.123 Base-Backbone interact. energy: -4.881 local terms energy: -639.560545 where: bonds (distance) C4'-P energy: -115.699 bonds (distance) P-C4' energy: -127.695 flat angles C4'-P-C4' energy: -138.287 flat angles P-C4'-P energy: -86.318 tors. eta vs tors. theta energy: -171.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2219.184063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.184063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.184063 (E_RNA) where: Base-Base interactions energy: -1541.998 where: short stacking energy: -649.528 Base-Backbone interact. energy: -2.016 local terms energy: -675.169773 where: bonds (distance) C4'-P energy: -120.390 bonds (distance) P-C4' energy: -121.743 flat angles C4'-P-C4' energy: -148.660 flat angles P-C4'-P energy: -94.537 tors. eta vs tors. theta energy: -189.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2029.658738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.658738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.658738 (E_RNA) where: Base-Base interactions energy: -1419.998 where: short stacking energy: -593.103 Base-Backbone interact. energy: 1.201 local terms energy: -610.861479 where: bonds (distance) C4'-P energy: -107.199 bonds (distance) P-C4' energy: -121.584 flat angles C4'-P-C4' energy: -130.726 flat angles P-C4'-P energy: -89.381 tors. eta vs tors. theta energy: -161.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1978.835234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.835234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.835234 (E_RNA) where: Base-Base interactions energy: -1369.754 where: short stacking energy: -596.661 Base-Backbone interact. energy: -0.372 local terms energy: -608.709892 where: bonds (distance) C4'-P energy: -117.747 bonds (distance) P-C4' energy: -115.235 flat angles C4'-P-C4' energy: -127.590 flat angles P-C4'-P energy: -84.985 tors. eta vs tors. theta energy: -163.153 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: 7 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1755.416688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.416688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.416688 (E_RNA) where: Base-Base interactions energy: -1188.804 where: short stacking energy: -510.771 Base-Backbone interact. energy: -2.200 local terms energy: -564.412679 where: bonds (distance) C4'-P energy: -122.777 bonds (distance) P-C4' energy: -100.714 flat angles C4'-P-C4' energy: -124.142 flat angles P-C4'-P energy: -83.627 tors. eta vs tors. theta energy: -133.152 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: 6, replica: 8 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1725.552121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.552121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.552121 (E_RNA) where: Base-Base interactions energy: -1188.928 where: short stacking energy: -511.568 Base-Backbone interact. energy: -0.644 local terms energy: -535.979733 where: bonds (distance) C4'-P energy: -109.734 bonds (distance) P-C4' energy: -107.928 flat angles C4'-P-C4' energy: -120.561 flat angles P-C4'-P energy: -80.024 tors. eta vs tors. theta energy: -117.733 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: 7, replica: 6 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1606.677486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.677486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.677486 (E_RNA) where: Base-Base interactions energy: -1104.351 where: short stacking energy: -508.106 Base-Backbone interact. energy: -0.827 local terms energy: -501.498964 where: bonds (distance) C4'-P energy: -92.853 bonds (distance) P-C4' energy: -94.674 flat angles C4'-P-C4' energy: -111.095 flat angles P-C4'-P energy: -71.111 tors. eta vs tors. theta energy: -131.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1322.291432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.291432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.291432 (E_RNA) where: Base-Base interactions energy: -882.250 where: short stacking energy: -407.985 Base-Backbone interact. energy: -2.753 local terms energy: -437.287768 where: bonds (distance) C4'-P energy: -87.722 bonds (distance) P-C4' energy: -96.015 flat angles C4'-P-C4' energy: -115.244 flat angles P-C4'-P energy: -58.369 tors. eta vs tors. theta energy: -79.938 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: 323 Temperature: 1.300000 Total energy: -1082.179550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.179550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.179550 (E_RNA) where: Base-Base interactions energy: -642.353 where: short stacking energy: -326.380 Base-Backbone interact. energy: -3.736 local terms energy: -436.091111 where: bonds (distance) C4'-P energy: -93.485 bonds (distance) P-C4' energy: -110.642 flat angles C4'-P-C4' energy: -99.143 flat angles P-C4'-P energy: -70.161 tors. eta vs tors. theta energy: -62.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -740.840046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.840046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.840046 (E_RNA) where: Base-Base interactions energy: -357.946 where: short stacking energy: -224.773 Base-Backbone interact. energy: 2.450 local terms energy: -385.344495 where: bonds (distance) C4'-P energy: -111.850 bonds (distance) P-C4' energy: -100.605 flat angles C4'-P-C4' energy: -85.846 flat angles P-C4'-P energy: -67.885 tors. eta vs tors. theta energy: -19.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2182.214625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.214625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.214625 (E_RNA) where: Base-Base interactions energy: -1537.307 where: short stacking energy: -642.211 Base-Backbone interact. energy: -5.174 local terms energy: -639.733396 where: bonds (distance) C4'-P energy: -131.588 bonds (distance) P-C4' energy: -119.198 flat angles C4'-P-C4' energy: -145.413 flat angles P-C4'-P energy: -75.023 tors. eta vs tors. theta energy: -168.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2187.071406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.071406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.071406 (E_RNA) where: Base-Base interactions energy: -1512.064 where: short stacking energy: -642.111 Base-Backbone interact. energy: -3.551 local terms energy: -671.456917 where: bonds (distance) C4'-P energy: -126.456 bonds (distance) P-C4' energy: -136.131 flat angles C4'-P-C4' energy: -129.539 flat angles P-C4'-P energy: -84.517 tors. eta vs tors. theta energy: -194.814 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: 5 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2035.539419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.539419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.539419 (E_RNA) where: Base-Base interactions energy: -1411.423 where: short stacking energy: -622.523 Base-Backbone interact. energy: -3.382 local terms energy: -620.735360 where: bonds (distance) C4'-P energy: -118.221 bonds (distance) P-C4' energy: -117.437 flat angles C4'-P-C4' energy: -129.989 flat angles P-C4'-P energy: -81.863 tors. eta vs tors. theta energy: -173.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1975.948231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.948231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.948231 (E_RNA) where: Base-Base interactions energy: -1388.417 where: short stacking energy: -559.433 Base-Backbone interact. energy: -0.773 local terms energy: -586.757950 where: bonds (distance) C4'-P energy: -98.570 bonds (distance) P-C4' energy: -117.877 flat angles C4'-P-C4' energy: -128.824 flat angles P-C4'-P energy: -80.716 tors. eta vs tors. theta energy: -160.771 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: 7 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1746.751323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.751323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.751323 (E_RNA) where: Base-Base interactions energy: -1207.277 where: short stacking energy: -510.457 Base-Backbone interact. energy: -1.559 local terms energy: -537.915653 where: bonds (distance) C4'-P energy: -105.876 bonds (distance) P-C4' energy: -124.495 flat angles C4'-P-C4' energy: -119.162 flat angles P-C4'-P energy: -73.213 tors. eta vs tors. theta energy: -115.170 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: 8 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1723.935089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.935089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.935089 (E_RNA) where: Base-Base interactions energy: -1181.840 where: short stacking energy: -540.317 Base-Backbone interact. energy: -1.654 local terms energy: -540.441418 where: bonds (distance) C4'-P energy: -110.265 bonds (distance) P-C4' energy: -110.721 flat angles C4'-P-C4' energy: -115.607 flat angles P-C4'-P energy: -72.835 tors. eta vs tors. theta energy: -131.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1586.400794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.400794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.400794 (E_RNA) where: Base-Base interactions energy: -1090.329 where: short stacking energy: -480.182 Base-Backbone interact. energy: 3.905 local terms energy: -499.976798 where: bonds (distance) C4'-P energy: -98.916 bonds (distance) P-C4' energy: -92.918 flat angles C4'-P-C4' energy: -103.852 flat angles P-C4'-P energy: -79.424 tors. eta vs tors. theta energy: -124.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1502.243125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.243125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.243125 (E_RNA) where: Base-Base interactions energy: -988.014 where: short stacking energy: -461.753 Base-Backbone interact. energy: 2.306 local terms energy: -516.535314 where: bonds (distance) C4'-P energy: -99.051 bonds (distance) P-C4' energy: -113.186 flat angles C4'-P-C4' energy: -116.506 flat angles P-C4'-P energy: -80.570 tors. eta vs tors. theta energy: -107.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1105.770016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.770016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.770016 (E_RNA) where: Base-Base interactions energy: -681.954 where: short stacking energy: -329.001 Base-Backbone interact. energy: 1.705 local terms energy: -425.521125 where: bonds (distance) C4'-P energy: -96.153 bonds (distance) P-C4' energy: -109.444 flat angles C4'-P-C4' energy: -105.279 flat angles P-C4'-P energy: -61.515 tors. eta vs tors. theta energy: -53.131 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: 4 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -695.905799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.905799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.905799 (E_RNA) where: Base-Base interactions energy: -346.327 where: short stacking energy: -220.075 Base-Backbone interact. energy: -1.004 local terms energy: -348.574962 where: bonds (distance) C4'-P energy: -95.618 bonds (distance) P-C4' energy: -100.127 flat angles C4'-P-C4' energy: -90.826 flat angles P-C4'-P energy: -55.527 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: 2 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2167.662716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.662716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.662716 (E_RNA) where: Base-Base interactions energy: -1540.656 where: short stacking energy: -648.995 Base-Backbone interact. energy: 1.284 local terms energy: -628.290689 where: bonds (distance) C4'-P energy: -116.100 bonds (distance) P-C4' energy: -110.346 flat angles C4'-P-C4' energy: -136.763 flat angles P-C4'-P energy: -82.730 tors. eta vs tors. theta energy: -182.352 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: 10 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2177.611376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.611376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.611376 (E_RNA) where: Base-Base interactions energy: -1509.269 where: short stacking energy: -640.435 Base-Backbone interact. energy: -3.066 local terms energy: -665.275618 where: bonds (distance) C4'-P energy: -108.274 bonds (distance) P-C4' energy: -134.827 flat angles C4'-P-C4' energy: -139.472 flat angles P-C4'-P energy: -87.662 tors. eta vs tors. theta energy: -195.041 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: 5 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2026.984173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.984173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.984173 (E_RNA) where: Base-Base interactions energy: -1429.547 where: short stacking energy: -606.927 Base-Backbone interact. energy: -3.196 local terms energy: -594.241601 where: bonds (distance) C4'-P energy: -100.042 bonds (distance) P-C4' energy: -106.132 flat angles C4'-P-C4' energy: -128.911 flat angles P-C4'-P energy: -92.248 tors. eta vs tors. theta energy: -166.910 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: 3 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1950.037594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.037594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.037594 (E_RNA) where: Base-Base interactions energy: -1377.259 where: short stacking energy: -589.915 Base-Backbone interact. energy: 1.479 local terms energy: -574.257808 where: bonds (distance) C4'-P energy: -108.384 bonds (distance) P-C4' energy: -100.136 flat angles C4'-P-C4' energy: -131.742 flat angles P-C4'-P energy: -76.999 tors. eta vs tors. theta energy: -156.997 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: 5, replica: 7 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1798.945638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.945638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.945638 (E_RNA) where: Base-Base interactions energy: -1236.573 where: short stacking energy: -523.468 Base-Backbone interact. energy: -2.585 local terms energy: -559.788621 where: bonds (distance) C4'-P energy: -95.720 bonds (distance) P-C4' energy: -112.065 flat angles C4'-P-C4' energy: -127.375 flat angles P-C4'-P energy: -84.478 tors. eta vs tors. theta energy: -140.150 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: 8 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1684.603797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.603797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.603797 (E_RNA) where: Base-Base interactions energy: -1175.982 where: short stacking energy: -495.041 Base-Backbone interact. energy: -1.166 local terms energy: -507.455719 where: bonds (distance) C4'-P energy: -99.705 bonds (distance) P-C4' energy: -111.734 flat angles C4'-P-C4' energy: -109.776 flat angles P-C4'-P energy: -71.474 tors. eta vs tors. theta energy: -114.766 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: 6 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1559.829347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.829347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.829347 (E_RNA) where: Base-Base interactions energy: -1066.412 where: short stacking energy: -467.289 Base-Backbone interact. energy: -2.460 local terms energy: -490.957516 where: bonds (distance) C4'-P energy: -96.055 bonds (distance) P-C4' energy: -99.240 flat angles C4'-P-C4' energy: -109.043 flat angles P-C4'-P energy: -70.888 tors. eta vs tors. theta energy: -115.731 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: 8, replica: 1 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1492.433308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.433308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.433308 (E_RNA) where: Base-Base interactions energy: -1012.045 where: short stacking energy: -449.691 Base-Backbone interact. energy: -0.066 local terms energy: -480.322201 where: bonds (distance) C4'-P energy: -95.920 bonds (distance) P-C4' energy: -95.680 flat angles C4'-P-C4' energy: -116.284 flat angles P-C4'-P energy: -66.977 tors. eta vs tors. theta energy: -105.461 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: 9, replica: 9 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1146.175773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.175773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.175773 (E_RNA) where: Base-Base interactions energy: -732.572 where: short stacking energy: -330.120 Base-Backbone interact. energy: -1.695 local terms energy: -411.908500 where: bonds (distance) C4'-P energy: -89.823 bonds (distance) P-C4' energy: -83.693 flat angles C4'-P-C4' energy: -100.738 flat angles P-C4'-P energy: -68.641 tors. eta vs tors. theta energy: -69.014 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: 4 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -674.077542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.077542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.077542 (E_RNA) where: Base-Base interactions energy: -341.620 where: short stacking energy: -212.992 Base-Backbone interact. energy: 9.755 local terms energy: -342.211982 where: bonds (distance) C4'-P energy: -88.248 bonds (distance) P-C4' energy: -89.362 flat angles C4'-P-C4' energy: -88.375 flat angles P-C4'-P energy: -65.578 tors. eta vs tors. theta energy: -10.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2164.762844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.762844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.762844 (E_RNA) where: Base-Base interactions energy: -1534.272 where: short stacking energy: -649.755 Base-Backbone interact. energy: -1.430 local terms energy: -629.060925 where: bonds (distance) C4'-P energy: -120.498 bonds (distance) P-C4' energy: -110.384 flat angles C4'-P-C4' energy: -136.898 flat angles P-C4'-P energy: -88.965 tors. eta vs tors. theta energy: -172.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2171.782906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.782906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.782906 (E_RNA) where: Base-Base interactions energy: -1502.319 where: short stacking energy: -646.811 Base-Backbone interact. energy: -2.671 local terms energy: -666.793268 where: bonds (distance) C4'-P energy: -121.676 bonds (distance) P-C4' energy: -122.794 flat angles C4'-P-C4' energy: -141.666 flat angles P-C4'-P energy: -96.019 tors. eta vs tors. theta energy: -184.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2013.740063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.740063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.740063 (E_RNA) where: Base-Base interactions energy: -1412.137 where: short stacking energy: -615.187 Base-Backbone interact. energy: -4.920 local terms energy: -596.683131 where: bonds (distance) C4'-P energy: -106.333 bonds (distance) P-C4' energy: -112.523 flat angles C4'-P-C4' energy: -134.741 flat angles P-C4'-P energy: -81.546 tors. eta vs tors. theta energy: -161.540 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: 3 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2000.333066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.333066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.333066 (E_RNA) where: Base-Base interactions energy: -1389.058 where: short stacking energy: -586.087 Base-Backbone interact. energy: -1.061 local terms energy: -610.213831 where: bonds (distance) C4'-P energy: -110.408 bonds (distance) P-C4' energy: -112.175 flat angles C4'-P-C4' energy: -137.149 flat angles P-C4'-P energy: -82.044 tors. eta vs tors. theta energy: -168.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1787.446191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.446191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.446191 (E_RNA) where: Base-Base interactions energy: -1210.190 where: short stacking energy: -531.377 Base-Backbone interact. energy: -2.394 local terms energy: -574.862014 where: bonds (distance) C4'-P energy: -124.827 bonds (distance) P-C4' energy: -111.148 flat angles C4'-P-C4' energy: -126.194 flat angles P-C4'-P energy: -83.506 tors. eta vs tors. theta energy: -129.186 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: 8 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1745.888863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.888863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.888863 (E_RNA) where: Base-Base interactions energy: -1231.108 where: short stacking energy: -505.132 Base-Backbone interact. energy: -2.743 local terms energy: -512.037797 where: bonds (distance) C4'-P energy: -86.676 bonds (distance) P-C4' energy: -105.218 flat angles C4'-P-C4' energy: -112.999 flat angles P-C4'-P energy: -81.004 tors. eta vs tors. theta energy: -126.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1637.562951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.562951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.562951 (E_RNA) where: Base-Base interactions energy: -1101.927 where: short stacking energy: -510.449 Base-Backbone interact. energy: -1.411 local terms energy: -534.224810 where: bonds (distance) C4'-P energy: -94.112 bonds (distance) P-C4' energy: -99.727 flat angles C4'-P-C4' energy: -119.390 flat angles P-C4'-P energy: -78.348 tors. eta vs tors. theta energy: -142.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1403.718598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.718598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.718598 (E_RNA) where: Base-Base interactions energy: -927.737 where: short stacking energy: -417.172 Base-Backbone interact. energy: 0.374 local terms energy: -476.355724 where: bonds (distance) C4'-P energy: -102.514 bonds (distance) P-C4' energy: -114.718 flat angles C4'-P-C4' energy: -107.148 flat angles P-C4'-P energy: -61.976 tors. eta vs tors. theta energy: -89.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1125.142913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.142913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.142913 (E_RNA) where: Base-Base interactions energy: -748.196 where: short stacking energy: -348.234 Base-Backbone interact. energy: 1.542 local terms energy: -378.489067 where: bonds (distance) C4'-P energy: -83.570 bonds (distance) P-C4' energy: -100.194 flat angles C4'-P-C4' energy: -80.176 flat angles P-C4'-P energy: -60.865 tors. eta vs tors. theta energy: -53.685 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: 4 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -668.240563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.240563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.240563 (E_RNA) where: Base-Base interactions energy: -342.875 where: short stacking energy: -205.027 Base-Backbone interact. energy: 1.322 local terms energy: -326.687371 where: bonds (distance) C4'-P energy: -87.295 bonds (distance) P-C4' energy: -96.465 flat angles C4'-P-C4' energy: -73.327 flat angles P-C4'-P energy: -61.920 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: 1, replica: 2 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2184.858963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.858963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.858963 (E_RNA) where: Base-Base interactions energy: -1509.533 where: short stacking energy: -639.145 Base-Backbone interact. energy: -4.414 local terms energy: -670.912173 where: bonds (distance) C4'-P energy: -121.640 bonds (distance) P-C4' energy: -129.265 flat angles C4'-P-C4' energy: -142.772 flat angles P-C4'-P energy: -99.601 tors. eta vs tors. theta energy: -177.635 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: 10 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2153.238141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.238141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.238141 (E_RNA) where: Base-Base interactions energy: -1477.482 where: short stacking energy: -660.459 Base-Backbone interact. energy: -2.614 local terms energy: -673.142138 where: bonds (distance) C4'-P energy: -113.302 bonds (distance) P-C4' energy: -134.720 flat angles C4'-P-C4' energy: -141.546 flat angles P-C4'-P energy: -86.433 tors. eta vs tors. theta energy: -197.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2007.341326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.341326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.341326 (E_RNA) where: Base-Base interactions energy: -1406.771 where: short stacking energy: -592.420 Base-Backbone interact. energy: 2.952 local terms energy: -603.522220 where: bonds (distance) C4'-P energy: -127.937 bonds (distance) P-C4' energy: -110.392 flat angles C4'-P-C4' energy: -129.057 flat angles P-C4'-P energy: -81.595 tors. eta vs tors. theta energy: -154.540 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: 3 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2004.568175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.568175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.568175 (E_RNA) where: Base-Base interactions energy: -1371.890 where: short stacking energy: -603.960 Base-Backbone interact. energy: -1.363 local terms energy: -631.314409 where: bonds (distance) C4'-P energy: -109.941 bonds (distance) P-C4' energy: -118.709 flat angles C4'-P-C4' energy: -137.745 flat angles P-C4'-P energy: -89.893 tors. eta vs tors. theta energy: -175.026 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: 5, replica: 7 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1796.099229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.099229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.099229 (E_RNA) where: Base-Base interactions energy: -1259.190 where: short stacking energy: -540.051 Base-Backbone interact. energy: -3.328 local terms energy: -533.581312 where: bonds (distance) C4'-P energy: -90.810 bonds (distance) P-C4' energy: -108.801 flat angles C4'-P-C4' energy: -121.089 flat angles P-C4'-P energy: -71.865 tors. eta vs tors. theta energy: -141.016 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: 6 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1733.302260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.302260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.302260 (E_RNA) where: Base-Base interactions energy: -1175.956 where: short stacking energy: -507.445 Base-Backbone interact. energy: 2.499 local terms energy: -559.845068 where: bonds (distance) C4'-P energy: -107.489 bonds (distance) P-C4' energy: -104.067 flat angles C4'-P-C4' energy: -128.216 flat angles P-C4'-P energy: -81.731 tors. eta vs tors. theta energy: -138.342 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: 8 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1670.701406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.701406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.701406 (E_RNA) where: Base-Base interactions energy: -1133.482 where: short stacking energy: -486.686 Base-Backbone interact. energy: -1.353 local terms energy: -535.866177 where: bonds (distance) C4'-P energy: -103.878 bonds (distance) P-C4' energy: -113.893 flat angles C4'-P-C4' energy: -113.549 flat angles P-C4'-P energy: -69.078 tors. eta vs tors. theta energy: -135.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1452.740686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.740686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.740686 (E_RNA) where: Base-Base interactions energy: -959.823 where: short stacking energy: -418.505 Base-Backbone interact. energy: -0.625 local terms energy: -492.292618 where: bonds (distance) C4'-P energy: -131.319 bonds (distance) P-C4' energy: -86.972 flat angles C4'-P-C4' energy: -108.527 flat angles P-C4'-P energy: -60.810 tors. eta vs tors. theta energy: -104.664 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: 9 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1133.959185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.959185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.959185 (E_RNA) where: Base-Base interactions energy: -718.341 where: short stacking energy: -350.684 Base-Backbone interact. energy: 4.130 local terms energy: -419.748756 where: bonds (distance) C4'-P energy: -100.912 bonds (distance) P-C4' energy: -101.673 flat angles C4'-P-C4' energy: -85.023 flat angles P-C4'-P energy: -72.455 tors. eta vs tors. theta energy: -59.686 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: 4 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -691.913383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.913383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.913383 (E_RNA) where: Base-Base interactions energy: -368.443 where: short stacking energy: -213.889 Base-Backbone interact. energy: -1.285 local terms energy: -322.185687 where: bonds (distance) C4'-P energy: -55.953 bonds (distance) P-C4' energy: -113.944 flat angles C4'-P-C4' energy: -90.545 flat angles P-C4'-P energy: -51.072 tors. eta vs tors. theta energy: -10.671 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: 2 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2226.412851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.412851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.412851 (E_RNA) where: Base-Base interactions energy: -1564.983 where: short stacking energy: -640.878 Base-Backbone interact. energy: -0.433 local terms energy: -660.997016 where: bonds (distance) C4'-P energy: -114.663 bonds (distance) P-C4' energy: -125.696 flat angles C4'-P-C4' energy: -139.515 flat angles P-C4'-P energy: -90.467 tors. eta vs tors. theta energy: -190.655 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: 10 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2169.076158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.076158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.076158 (E_RNA) where: Base-Base interactions energy: -1511.253 where: short stacking energy: -643.651 Base-Backbone interact. energy: -2.390 local terms energy: -655.433437 where: bonds (distance) C4'-P energy: -107.463 bonds (distance) P-C4' energy: -120.803 flat angles C4'-P-C4' energy: -143.752 flat angles P-C4'-P energy: -90.425 tors. eta vs tors. theta energy: -192.991 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: 5 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2040.011503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.011503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.011503 (E_RNA) where: Base-Base interactions energy: -1437.177 where: short stacking energy: -598.889 Base-Backbone interact. energy: -4.581 local terms energy: -598.252879 where: bonds (distance) C4'-P energy: -102.916 bonds (distance) P-C4' energy: -117.847 flat angles C4'-P-C4' energy: -127.961 flat angles P-C4'-P energy: -86.114 tors. eta vs tors. theta energy: -163.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1920.950472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.950472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.950472 (E_RNA) where: Base-Base interactions energy: -1344.187 where: short stacking energy: -577.472 Base-Backbone interact. energy: -1.672 local terms energy: -575.090896 where: bonds (distance) C4'-P energy: -107.362 bonds (distance) P-C4' energy: -116.821 flat angles C4'-P-C4' energy: -124.959 flat angles P-C4'-P energy: -65.019 tors. eta vs tors. theta energy: -160.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1782.617383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.617383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.617383 (E_RNA) where: Base-Base interactions energy: -1222.038 where: short stacking energy: -539.329 Base-Backbone interact. energy: -2.588 local terms energy: -557.991556 where: bonds (distance) C4'-P energy: -100.288 bonds (distance) P-C4' energy: -102.103 flat angles C4'-P-C4' energy: -127.640 flat angles P-C4'-P energy: -84.552 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: 6, replica: 6 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1741.475480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.475480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.475480 (E_RNA) where: Base-Base interactions energy: -1163.596 where: short stacking energy: -516.282 Base-Backbone interact. energy: -2.080 local terms energy: -575.799640 where: bonds (distance) C4'-P energy: -114.314 bonds (distance) P-C4' energy: -119.728 flat angles C4'-P-C4' energy: -118.786 flat angles P-C4'-P energy: -74.045 tors. eta vs tors. theta energy: -148.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1625.362875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.362875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.362875 (E_RNA) where: Base-Base interactions energy: -1098.518 where: short stacking energy: -463.881 Base-Backbone interact. energy: 4.297 local terms energy: -531.142084 where: bonds (distance) C4'-P energy: -104.710 bonds (distance) P-C4' energy: -119.673 flat angles C4'-P-C4' energy: -120.433 flat angles P-C4'-P energy: -62.830 tors. eta vs tors. theta energy: -123.496 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: 1 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1374.562601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.562601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.562601 (E_RNA) where: Base-Base interactions energy: -920.360 where: short stacking energy: -418.301 Base-Backbone interact. energy: -0.838 local terms energy: -453.364404 where: bonds (distance) C4'-P energy: -99.234 bonds (distance) P-C4' energy: -101.123 flat angles C4'-P-C4' energy: -104.098 flat angles P-C4'-P energy: -57.369 tors. eta vs tors. theta energy: -91.540 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: 9 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1104.446229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.446229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.446229 (E_RNA) where: Base-Base interactions energy: -697.975 where: short stacking energy: -321.148 Base-Backbone interact. energy: 2.570 local terms energy: -409.040923 where: bonds (distance) C4'-P energy: -97.498 bonds (distance) P-C4' energy: -117.763 flat angles C4'-P-C4' energy: -101.411 flat angles P-C4'-P energy: -46.415 tors. eta vs tors. theta energy: -45.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -690.261113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.261113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.261113 (E_RNA) where: Base-Base interactions energy: -352.550 where: short stacking energy: -196.654 Base-Backbone interact. energy: 9.047 local terms energy: -346.758430 where: bonds (distance) C4'-P energy: -78.249 bonds (distance) P-C4' energy: -116.641 flat angles C4'-P-C4' energy: -87.741 flat angles P-C4'-P energy: -49.707 tors. eta vs tors. theta energy: -14.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2201.692377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.692377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.692377 (E_RNA) where: Base-Base interactions energy: -1553.879 where: short stacking energy: -660.417 Base-Backbone interact. energy: 0.543 local terms energy: -648.356313 where: bonds (distance) C4'-P energy: -123.270 bonds (distance) P-C4' energy: -109.545 flat angles C4'-P-C4' energy: -140.677 flat angles P-C4'-P energy: -96.866 tors. eta vs tors. theta energy: -177.999 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: 10 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2177.935042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.935042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.935042 (E_RNA) where: Base-Base interactions energy: -1498.577 where: short stacking energy: -648.872 Base-Backbone interact. energy: -1.994 local terms energy: -677.364846 where: bonds (distance) C4'-P energy: -102.799 bonds (distance) P-C4' energy: -131.071 flat angles C4'-P-C4' energy: -147.170 flat angles P-C4'-P energy: -98.094 tors. eta vs tors. theta energy: -198.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2020.816350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.816350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.816350 (E_RNA) where: Base-Base interactions energy: -1419.278 where: short stacking energy: -606.698 Base-Backbone interact. energy: -7.444 local terms energy: -594.094177 where: bonds (distance) C4'-P energy: -123.814 bonds (distance) P-C4' energy: -109.660 flat angles C4'-P-C4' energy: -118.358 flat angles P-C4'-P energy: -68.794 tors. eta vs tors. theta energy: -173.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1995.993086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.993086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.993086 (E_RNA) where: Base-Base interactions energy: -1417.497 where: short stacking energy: -593.351 Base-Backbone interact. energy: -2.583 local terms energy: -575.912877 where: bonds (distance) C4'-P energy: -104.627 bonds (distance) P-C4' energy: -123.998 flat angles C4'-P-C4' energy: -123.592 flat angles P-C4'-P energy: -57.865 tors. eta vs tors. theta energy: -165.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1819.412188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.412188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.412188 (E_RNA) where: Base-Base interactions energy: -1283.004 where: short stacking energy: -541.484 Base-Backbone interact. energy: -3.070 local terms energy: -533.337497 where: bonds (distance) C4'-P energy: -103.293 bonds (distance) P-C4' energy: -99.841 flat angles C4'-P-C4' energy: -122.998 flat angles P-C4'-P energy: -63.221 tors. eta vs tors. theta energy: -143.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1762.413170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.413170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.413170 (E_RNA) where: Base-Base interactions energy: -1183.359 where: short stacking energy: -513.733 Base-Backbone interact. energy: 0.683 local terms energy: -579.736708 where: bonds (distance) C4'-P energy: -115.549 bonds (distance) P-C4' energy: -113.478 flat angles C4'-P-C4' energy: -120.577 flat angles P-C4'-P energy: -86.983 tors. eta vs tors. theta energy: -143.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1667.276098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.276098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.276098 (E_RNA) where: Base-Base interactions energy: -1134.562 where: short stacking energy: -475.308 Base-Backbone interact. energy: 0.369 local terms energy: -533.082456 where: bonds (distance) C4'-P energy: -98.470 bonds (distance) P-C4' energy: -115.198 flat angles C4'-P-C4' energy: -111.093 flat angles P-C4'-P energy: -79.035 tors. eta vs tors. theta energy: -129.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1431.713558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.713558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.713558 (E_RNA) where: Base-Base interactions energy: -944.924 where: short stacking energy: -429.839 Base-Backbone interact. energy: -2.462 local terms energy: -484.328277 where: bonds (distance) C4'-P energy: -110.738 bonds (distance) P-C4' energy: -98.297 flat angles C4'-P-C4' energy: -106.106 flat angles P-C4'-P energy: -62.684 tors. eta vs tors. theta energy: -106.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1156.349649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.349649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.349649 (E_RNA) where: Base-Base interactions energy: -732.079 where: short stacking energy: -352.377 Base-Backbone interact. energy: -0.066 local terms energy: -424.204513 where: bonds (distance) C4'-P energy: -97.924 bonds (distance) P-C4' energy: -91.837 flat angles C4'-P-C4' energy: -101.897 flat angles P-C4'-P energy: -65.641 tors. eta vs tors. theta energy: -66.905 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: 10, replica: 4 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -684.797434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.797434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.797434 (E_RNA) where: Base-Base interactions energy: -346.248 where: short stacking energy: -199.170 Base-Backbone interact. energy: 6.449 local terms energy: -344.998194 where: bonds (distance) C4'-P energy: -105.781 bonds (distance) P-C4' energy: -113.363 flat angles C4'-P-C4' energy: -71.767 flat angles P-C4'-P energy: -57.838 tors. eta vs tors. theta energy: 3.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2233.907626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.907626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.907626 (E_RNA) where: Base-Base interactions energy: -1546.738 where: short stacking energy: -657.526 Base-Backbone interact. energy: -2.266 local terms energy: -684.903361 where: bonds (distance) C4'-P energy: -121.504 bonds (distance) P-C4' energy: -130.647 flat angles C4'-P-C4' energy: -155.040 flat angles P-C4'-P energy: -85.346 tors. eta vs tors. theta energy: -192.367 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: 2 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2166.971779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.971779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.971779 (E_RNA) where: Base-Base interactions energy: -1521.188 where: short stacking energy: -636.939 Base-Backbone interact. energy: -1.290 local terms energy: -644.493819 where: bonds (distance) C4'-P energy: -113.611 bonds (distance) P-C4' energy: -122.729 flat angles C4'-P-C4' energy: -140.248 flat angles P-C4'-P energy: -81.972 tors. eta vs tors. theta energy: -185.934 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: 5 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2027.013896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.013896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.013896 (E_RNA) where: Base-Base interactions energy: -1428.102 where: short stacking energy: -585.861 Base-Backbone interact. energy: -6.106 local terms energy: -592.805304 where: bonds (distance) C4'-P energy: -117.163 bonds (distance) P-C4' energy: -112.671 flat angles C4'-P-C4' energy: -133.742 flat angles P-C4'-P energy: -79.421 tors. eta vs tors. theta energy: -149.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2000.540173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.540173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.540173 (E_RNA) where: Base-Base interactions energy: -1403.393 where: short stacking energy: -576.394 Base-Backbone interact. energy: -1.594 local terms energy: -595.552908 where: bonds (distance) C4'-P energy: -99.880 bonds (distance) P-C4' energy: -109.811 flat angles C4'-P-C4' energy: -134.208 flat angles P-C4'-P energy: -90.697 tors. eta vs tors. theta energy: -160.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1799.249250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.249250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.249250 (E_RNA) where: Base-Base interactions energy: -1248.583 where: short stacking energy: -559.019 Base-Backbone interact. energy: 2.314 local terms energy: -552.979719 where: bonds (distance) C4'-P energy: -99.872 bonds (distance) P-C4' energy: -92.244 flat angles C4'-P-C4' energy: -132.562 flat angles P-C4'-P energy: -82.276 tors. eta vs tors. theta energy: -146.026 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: 330 Temperature: 1.150000 Total energy: -1722.472260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.472260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.472260 (E_RNA) where: Base-Base interactions energy: -1168.245 where: short stacking energy: -517.249 Base-Backbone interact. energy: -3.206 local terms energy: -551.020823 where: bonds (distance) C4'-P energy: -115.506 bonds (distance) P-C4' energy: -120.454 flat angles C4'-P-C4' energy: -106.351 flat angles P-C4'-P energy: -61.837 tors. eta vs tors. theta energy: -146.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1642.333589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.333589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.333589 (E_RNA) where: Base-Base interactions energy: -1135.002 where: short stacking energy: -477.398 Base-Backbone interact. energy: 0.884 local terms energy: -508.215578 where: bonds (distance) C4'-P energy: -109.297 bonds (distance) P-C4' energy: -97.953 flat angles C4'-P-C4' energy: -113.178 flat angles P-C4'-P energy: -67.556 tors. eta vs tors. theta energy: -120.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1455.918411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.918411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.918411 (E_RNA) where: Base-Base interactions energy: -992.695 where: short stacking energy: -451.372 Base-Backbone interact. energy: -0.346 local terms energy: -462.877420 where: bonds (distance) C4'-P energy: -87.179 bonds (distance) P-C4' energy: -80.532 flat angles C4'-P-C4' energy: -111.007 flat angles P-C4'-P energy: -78.279 tors. eta vs tors. theta energy: -105.880 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: 9 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1237.011716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.011716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.011716 (E_RNA) where: Base-Base interactions energy: -779.765 where: short stacking energy: -357.247 Base-Backbone interact. energy: -0.825 local terms energy: -456.421636 where: bonds (distance) C4'-P energy: -97.018 bonds (distance) P-C4' energy: -96.211 flat angles C4'-P-C4' energy: -104.386 flat angles P-C4'-P energy: -78.544 tors. eta vs tors. theta energy: -80.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -713.124086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.124086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.124086 (E_RNA) where: Base-Base interactions energy: -371.426 where: short stacking energy: -202.198 Base-Backbone interact. energy: 3.828 local terms energy: -345.525592 where: bonds (distance) C4'-P energy: -99.900 bonds (distance) P-C4' energy: -98.853 flat angles C4'-P-C4' energy: -90.285 flat angles P-C4'-P energy: -55.522 tors. eta vs tors. theta energy: -0.965 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: 1, replica: 10 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2240.813869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.813869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.813869 (E_RNA) where: Base-Base interactions energy: -1558.403 where: short stacking energy: -675.291 Base-Backbone interact. energy: -0.737 local terms energy: -681.673777 where: bonds (distance) C4'-P energy: -119.912 bonds (distance) P-C4' energy: -121.363 flat angles C4'-P-C4' energy: -142.656 flat angles P-C4'-P energy: -93.634 tors. eta vs tors. theta energy: -204.109 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: 2 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2170.422985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.422985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.422985 (E_RNA) where: Base-Base interactions energy: -1539.665 where: short stacking energy: -629.260 Base-Backbone interact. energy: -4.421 local terms energy: -626.337260 where: bonds (distance) C4'-P energy: -122.307 bonds (distance) P-C4' energy: -103.275 flat angles C4'-P-C4' energy: -145.530 flat angles P-C4'-P energy: -76.253 tors. eta vs tors. theta energy: -178.973 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: 5 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2026.543952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.543952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.543952 (E_RNA) where: Base-Base interactions energy: -1418.408 where: short stacking energy: -586.093 Base-Backbone interact. energy: 0.548 local terms energy: -608.684594 where: bonds (distance) C4'-P energy: -113.690 bonds (distance) P-C4' energy: -113.072 flat angles C4'-P-C4' energy: -137.614 flat angles P-C4'-P energy: -87.840 tors. eta vs tors. theta energy: -156.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2008.910523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.910523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.910523 (E_RNA) where: Base-Base interactions energy: -1440.068 where: short stacking energy: -603.714 Base-Backbone interact. energy: -1.864 local terms energy: -566.978473 where: bonds (distance) C4'-P energy: -96.301 bonds (distance) P-C4' energy: -93.228 flat angles C4'-P-C4' energy: -127.957 flat angles P-C4'-P energy: -88.209 tors. eta vs tors. theta energy: -161.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1775.019669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.019669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.019669 (E_RNA) where: Base-Base interactions energy: -1205.992 where: short stacking energy: -518.738 Base-Backbone interact. energy: -2.723 local terms energy: -566.305319 where: bonds (distance) C4'-P energy: -117.993 bonds (distance) P-C4' energy: -117.232 flat angles C4'-P-C4' energy: -127.744 flat angles P-C4'-P energy: -73.510 tors. eta vs tors. theta energy: -129.826 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: 8 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1685.635989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.635989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.635989 (E_RNA) where: Base-Base interactions energy: -1152.211 where: short stacking energy: -493.302 Base-Backbone interact. energy: 0.721 local terms energy: -534.146090 where: bonds (distance) C4'-P energy: -114.090 bonds (distance) P-C4' energy: -102.742 flat angles C4'-P-C4' energy: -117.597 flat angles P-C4'-P energy: -76.608 tors. eta vs tors. theta energy: -123.108 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: 6 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1616.623332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.623332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.623332 (E_RNA) where: Base-Base interactions energy: -1082.540 where: short stacking energy: -471.771 Base-Backbone interact. energy: -2.067 local terms energy: -532.016493 where: bonds (distance) C4'-P energy: -119.408 bonds (distance) P-C4' energy: -110.591 flat angles C4'-P-C4' energy: -108.032 flat angles P-C4'-P energy: -66.427 tors. eta vs tors. theta energy: -127.559 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: 1 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1414.809616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.809616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.809616 (E_RNA) where: Base-Base interactions energy: -962.229 where: short stacking energy: -415.187 Base-Backbone interact. energy: -2.340 local terms energy: -450.241167 where: bonds (distance) C4'-P energy: -107.749 bonds (distance) P-C4' energy: -81.665 flat angles C4'-P-C4' energy: -111.730 flat angles P-C4'-P energy: -59.650 tors. eta vs tors. theta energy: -89.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1209.098127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.098127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.098127 (E_RNA) where: Base-Base interactions energy: -782.128 where: short stacking energy: -344.385 Base-Backbone interact. energy: -2.651 local terms energy: -424.319294 where: bonds (distance) C4'-P energy: -101.517 bonds (distance) P-C4' energy: -99.264 flat angles C4'-P-C4' energy: -96.634 flat angles P-C4'-P energy: -60.486 tors. eta vs tors. theta energy: -66.419 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: 4 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -724.300596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.300596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.300596 (E_RNA) where: Base-Base interactions energy: -372.406 where: short stacking energy: -200.399 Base-Backbone interact. energy: -0.523 local terms energy: -351.371523 where: bonds (distance) C4'-P energy: -93.691 bonds (distance) P-C4' energy: -105.331 flat angles C4'-P-C4' energy: -96.399 flat angles P-C4'-P energy: -51.087 tors. eta vs tors. theta energy: -4.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2213.072896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.072896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.072896 (E_RNA) where: Base-Base interactions energy: -1526.267 where: short stacking energy: -656.875 Base-Backbone interact. energy: -2.287 local terms energy: -684.518958 where: bonds (distance) C4'-P energy: -123.203 bonds (distance) P-C4' energy: -125.700 flat angles C4'-P-C4' energy: -130.318 flat angles P-C4'-P energy: -98.183 tors. eta vs tors. theta energy: -207.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2163.018801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.018801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.018801 (E_RNA) where: Base-Base interactions energy: -1521.271 where: short stacking energy: -627.542 Base-Backbone interact. energy: -2.147 local terms energy: -639.600824 where: bonds (distance) C4'-P energy: -97.908 bonds (distance) P-C4' energy: -125.337 flat angles C4'-P-C4' energy: -141.231 flat angles P-C4'-P energy: -89.946 tors. eta vs tors. theta energy: -185.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2036.400070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.400070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.400070 (E_RNA) where: Base-Base interactions energy: -1427.632 where: short stacking energy: -594.580 Base-Backbone interact. energy: -6.176 local terms energy: -602.592185 where: bonds (distance) C4'-P energy: -114.271 bonds (distance) P-C4' energy: -120.817 flat angles C4'-P-C4' energy: -132.000 flat angles P-C4'-P energy: -91.037 tors. eta vs tors. theta energy: -144.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1972.343039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.343039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.343039 (E_RNA) where: Base-Base interactions energy: -1380.485 where: short stacking energy: -586.463 Base-Backbone interact. energy: -3.157 local terms energy: -588.701335 where: bonds (distance) C4'-P energy: -111.658 bonds (distance) P-C4' energy: -105.694 flat angles C4'-P-C4' energy: -126.512 flat angles P-C4'-P energy: -85.685 tors. eta vs tors. theta energy: -159.153 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: 7 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1791.193596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.193596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.193596 (E_RNA) where: Base-Base interactions energy: -1223.522 where: short stacking energy: -531.590 Base-Backbone interact. energy: -1.909 local terms energy: -565.761905 where: bonds (distance) C4'-P energy: -89.678 bonds (distance) P-C4' energy: -131.090 flat angles C4'-P-C4' energy: -124.419 flat angles P-C4'-P energy: -82.499 tors. eta vs tors. theta energy: -138.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1697.371527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.371527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.371527 (E_RNA) where: Base-Base interactions energy: -1187.193 where: short stacking energy: -497.732 Base-Backbone interact. energy: -0.644 local terms energy: -509.534578 where: bonds (distance) C4'-P energy: -87.205 bonds (distance) P-C4' energy: -101.417 flat angles C4'-P-C4' energy: -111.221 flat angles P-C4'-P energy: -80.259 tors. eta vs tors. theta energy: -129.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1626.608057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.608057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.608057 (E_RNA) where: Base-Base interactions energy: -1094.917 where: short stacking energy: -468.185 Base-Backbone interact. energy: -0.837 local terms energy: -530.854358 where: bonds (distance) C4'-P energy: -110.748 bonds (distance) P-C4' energy: -103.780 flat angles C4'-P-C4' energy: -108.328 flat angles P-C4'-P energy: -77.960 tors. eta vs tors. theta energy: -130.039 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: 1 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1394.332276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.332276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.332276 (E_RNA) where: Base-Base interactions energy: -919.781 where: short stacking energy: -394.854 Base-Backbone interact. energy: 0.716 local terms energy: -475.266895 where: bonds (distance) C4'-P energy: -93.557 bonds (distance) P-C4' energy: -110.261 flat angles C4'-P-C4' energy: -116.462 flat angles P-C4'-P energy: -67.826 tors. eta vs tors. theta energy: -87.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1217.748696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.748696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.748696 (E_RNA) where: Base-Base interactions energy: -752.570 where: short stacking energy: -382.003 Base-Backbone interact. energy: 0.126 local terms energy: -465.304709 where: bonds (distance) C4'-P energy: -91.836 bonds (distance) P-C4' energy: -107.089 flat angles C4'-P-C4' energy: -100.413 flat angles P-C4'-P energy: -77.162 tors. eta vs tors. theta energy: -88.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -772.255765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.255765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.255765 (E_RNA) where: Base-Base interactions energy: -428.738 where: short stacking energy: -208.430 Base-Backbone interact. energy: 0.718 local terms energy: -344.235650 where: bonds (distance) C4'-P energy: -85.462 bonds (distance) P-C4' energy: -103.309 flat angles C4'-P-C4' energy: -89.244 flat angles P-C4'-P energy: -62.295 tors. eta vs tors. theta energy: -3.925 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: 10 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2215.638709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.638709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.638709 (E_RNA) where: Base-Base interactions energy: -1533.595 where: short stacking energy: -679.410 Base-Backbone interact. energy: -0.168 local terms energy: -681.876061 where: bonds (distance) C4'-P energy: -117.671 bonds (distance) P-C4' energy: -129.946 flat angles C4'-P-C4' energy: -133.281 flat angles P-C4'-P energy: -105.263 tors. eta vs tors. theta energy: -195.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2146.794134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.794134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.794134 (E_RNA) where: Base-Base interactions energy: -1497.518 where: short stacking energy: -613.311 Base-Backbone interact. energy: -1.293 local terms energy: -647.982936 where: bonds (distance) C4'-P energy: -128.193 bonds (distance) P-C4' energy: -118.723 flat angles C4'-P-C4' energy: -138.668 flat angles P-C4'-P energy: -88.083 tors. eta vs tors. theta energy: -174.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1998.418236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.418236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.418236 (E_RNA) where: Base-Base interactions energy: -1404.426 where: short stacking energy: -573.361 Base-Backbone interact. energy: -4.959 local terms energy: -589.033246 where: bonds (distance) C4'-P energy: -111.831 bonds (distance) P-C4' energy: -102.720 flat angles C4'-P-C4' energy: -130.931 flat angles P-C4'-P energy: -91.055 tors. eta vs tors. theta energy: -152.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1940.566513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.566513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.566513 (E_RNA) where: Base-Base interactions energy: -1351.684 where: short stacking energy: -560.087 Base-Backbone interact. energy: -3.940 local terms energy: -584.942770 where: bonds (distance) C4'-P energy: -112.422 bonds (distance) P-C4' energy: -111.211 flat angles C4'-P-C4' energy: -123.852 flat angles P-C4'-P energy: -92.155 tors. eta vs tors. theta energy: -145.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1816.765210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.765210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.765210 (E_RNA) where: Base-Base interactions energy: -1266.786 where: short stacking energy: -545.886 Base-Backbone interact. energy: -0.723 local terms energy: -549.256718 where: bonds (distance) C4'-P energy: -109.025 bonds (distance) P-C4' energy: -97.241 flat angles C4'-P-C4' energy: -109.610 flat angles P-C4'-P energy: -94.813 tors. eta vs tors. theta energy: -138.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1716.470212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.470212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.470212 (E_RNA) where: Base-Base interactions energy: -1182.989 where: short stacking energy: -517.826 Base-Backbone interact. energy: -0.322 local terms energy: -533.159830 where: bonds (distance) C4'-P energy: -100.555 bonds (distance) P-C4' energy: -103.889 flat angles C4'-P-C4' energy: -118.498 flat angles P-C4'-P energy: -72.250 tors. eta vs tors. theta energy: -137.968 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: 6 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1629.031919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.031919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.031919 (E_RNA) where: Base-Base interactions energy: -1082.271 where: short stacking energy: -481.274 Base-Backbone interact. energy: -3.399 local terms energy: -543.362303 where: bonds (distance) C4'-P energy: -119.095 bonds (distance) P-C4' energy: -111.167 flat angles C4'-P-C4' energy: -115.927 flat angles P-C4'-P energy: -72.201 tors. eta vs tors. theta energy: -124.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1390.726616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.726616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.726616 (E_RNA) where: Base-Base interactions energy: -913.813 where: short stacking energy: -410.555 Base-Backbone interact. energy: -0.763 local terms energy: -476.151214 where: bonds (distance) C4'-P energy: -107.619 bonds (distance) P-C4' energy: -99.481 flat angles C4'-P-C4' energy: -105.342 flat angles P-C4'-P energy: -71.918 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: 9, replica: 9 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1200.003458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.003458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.003458 (E_RNA) where: Base-Base interactions energy: -729.488 where: short stacking energy: -345.417 Base-Backbone interact. energy: -1.762 local terms energy: -468.753437 where: bonds (distance) C4'-P energy: -98.772 bonds (distance) P-C4' energy: -114.109 flat angles C4'-P-C4' energy: -101.110 flat angles P-C4'-P energy: -78.052 tors. eta vs tors. theta energy: -76.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -818.248745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.248745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.248745 (E_RNA) where: Base-Base interactions energy: -448.251 where: short stacking energy: -249.295 Base-Backbone interact. energy: 0.486 local terms energy: -370.483968 where: bonds (distance) C4'-P energy: -108.407 bonds (distance) P-C4' energy: -84.896 flat angles C4'-P-C4' energy: -88.864 flat angles P-C4'-P energy: -56.116 tors. eta vs tors. theta energy: -32.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2194.439024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.439024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.439024 (E_RNA) where: Base-Base interactions energy: -1508.839 where: short stacking energy: -653.771 Base-Backbone interact. energy: -1.261 local terms energy: -684.338929 where: bonds (distance) C4'-P energy: -130.459 bonds (distance) P-C4' energy: -119.978 flat angles C4'-P-C4' energy: -141.942 flat angles P-C4'-P energy: -104.341 tors. eta vs tors. theta energy: -187.619 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: 334 Temperature: 0.950000 Total energy: -2157.649918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.649918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.649918 (E_RNA) where: Base-Base interactions energy: -1498.520 where: short stacking energy: -634.626 Base-Backbone interact. energy: -2.838 local terms energy: -656.291413 where: bonds (distance) C4'-P energy: -123.503 bonds (distance) P-C4' energy: -115.141 flat angles C4'-P-C4' energy: -151.296 flat angles P-C4'-P energy: -87.459 tors. eta vs tors. theta energy: -178.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2053.298212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.298212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.298212 (E_RNA) where: Base-Base interactions energy: -1440.660 where: short stacking energy: -595.895 Base-Backbone interact. energy: -2.279 local terms energy: -610.359868 where: bonds (distance) C4'-P energy: -110.041 bonds (distance) P-C4' energy: -113.336 flat angles C4'-P-C4' energy: -128.328 flat angles P-C4'-P energy: -98.365 tors. eta vs tors. theta energy: -160.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1973.134358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.134358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.134358 (E_RNA) where: Base-Base interactions energy: -1391.791 where: short stacking energy: -566.277 Base-Backbone interact. energy: -1.320 local terms energy: -580.024054 where: bonds (distance) C4'-P energy: -100.475 bonds (distance) P-C4' energy: -119.542 flat angles C4'-P-C4' energy: -129.178 flat angles P-C4'-P energy: -76.037 tors. eta vs tors. theta energy: -154.791 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: 7 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1836.709135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.709135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.709135 (E_RNA) where: Base-Base interactions energy: -1277.303 where: short stacking energy: -559.104 Base-Backbone interact. energy: -3.408 local terms energy: -555.998405 where: bonds (distance) C4'-P energy: -97.646 bonds (distance) P-C4' energy: -107.498 flat angles C4'-P-C4' energy: -129.358 flat angles P-C4'-P energy: -86.210 tors. eta vs tors. theta energy: -135.286 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: 6, replica: 8 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1710.618964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.618964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.618964 (E_RNA) where: Base-Base interactions energy: -1175.492 where: short stacking energy: -488.585 Base-Backbone interact. energy: 3.295 local terms energy: -538.421740 where: bonds (distance) C4'-P energy: -104.906 bonds (distance) P-C4' energy: -110.281 flat angles C4'-P-C4' energy: -117.820 flat angles P-C4'-P energy: -68.005 tors. eta vs tors. theta energy: -137.410 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: 6 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1615.667924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.667924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.667924 (E_RNA) where: Base-Base interactions energy: -1096.532 where: short stacking energy: -467.200 Base-Backbone interact. energy: -1.587 local terms energy: -517.549411 where: bonds (distance) C4'-P energy: -88.199 bonds (distance) P-C4' energy: -108.318 flat angles C4'-P-C4' energy: -121.901 flat angles P-C4'-P energy: -69.164 tors. eta vs tors. theta energy: -129.967 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: 8, replica: 1 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1370.999590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.999590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.999590 (E_RNA) where: Base-Base interactions energy: -933.473 where: short stacking energy: -391.324 Base-Backbone interact. energy: -1.189 local terms energy: -436.338059 where: bonds (distance) C4'-P energy: -91.081 bonds (distance) P-C4' energy: -100.944 flat angles C4'-P-C4' energy: -92.018 flat angles P-C4'-P energy: -65.072 tors. eta vs tors. theta energy: -87.223 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: 9, replica: 9 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1180.235719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.235719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.235719 (E_RNA) where: Base-Base interactions energy: -764.861 where: short stacking energy: -334.423 Base-Backbone interact. energy: 1.027 local terms energy: -416.401285 where: bonds (distance) C4'-P energy: -99.065 bonds (distance) P-C4' energy: -96.907 flat angles C4'-P-C4' energy: -92.249 flat angles P-C4'-P energy: -57.656 tors. eta vs tors. theta energy: -70.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -790.483989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.483989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.483989 (E_RNA) where: Base-Base interactions energy: -422.730 where: short stacking energy: -220.812 Base-Backbone interact. energy: 2.662 local terms energy: -370.416295 where: bonds (distance) C4'-P energy: -80.250 bonds (distance) P-C4' energy: -97.824 flat angles C4'-P-C4' energy: -101.079 flat angles P-C4'-P energy: -73.924 tors. eta vs tors. theta energy: -17.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2212.678253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.678253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.678253 (E_RNA) where: Base-Base interactions energy: -1532.612 where: short stacking energy: -664.888 Base-Backbone interact. energy: -2.137 local terms energy: -677.929182 where: bonds (distance) C4'-P energy: -116.384 bonds (distance) P-C4' energy: -129.001 flat angles C4'-P-C4' energy: -134.670 flat angles P-C4'-P energy: -102.844 tors. eta vs tors. theta energy: -195.030 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: 5 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2101.566240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.566240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.566240 (E_RNA) where: Base-Base interactions energy: -1472.026 where: short stacking energy: -615.405 Base-Backbone interact. energy: 0.476 local terms energy: -630.015344 where: bonds (distance) C4'-P energy: -123.344 bonds (distance) P-C4' energy: -118.785 flat angles C4'-P-C4' energy: -132.365 flat angles P-C4'-P energy: -97.212 tors. eta vs tors. theta energy: -158.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2097.667451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.667451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.667451 (E_RNA) where: Base-Base interactions energy: -1481.528 where: short stacking energy: -596.866 Base-Backbone interact. energy: -2.706 local terms energy: -613.434189 where: bonds (distance) C4'-P energy: -113.726 bonds (distance) P-C4' energy: -110.054 flat angles C4'-P-C4' energy: -125.250 flat angles P-C4'-P energy: -88.671 tors. eta vs tors. theta energy: -175.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2008.114978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.114978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.114978 (E_RNA) where: Base-Base interactions energy: -1402.910 where: short stacking energy: -585.010 Base-Backbone interact. energy: 0.308 local terms energy: -605.513342 where: bonds (distance) C4'-P energy: -102.661 bonds (distance) P-C4' energy: -129.667 flat angles C4'-P-C4' energy: -127.028 flat angles P-C4'-P energy: -81.491 tors. eta vs tors. theta energy: -164.666 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: 7 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1843.274636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.274636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.274636 (E_RNA) where: Base-Base interactions energy: -1269.462 where: short stacking energy: -519.443 Base-Backbone interact. energy: -2.189 local terms energy: -571.623090 where: bonds (distance) C4'-P energy: -125.094 bonds (distance) P-C4' energy: -117.853 flat angles C4'-P-C4' energy: -117.142 flat angles P-C4'-P energy: -77.641 tors. eta vs tors. theta energy: -133.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1670.955983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.955983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.955983 (E_RNA) where: Base-Base interactions energy: -1141.436 where: short stacking energy: -506.479 Base-Backbone interact. energy: 4.415 local terms energy: -533.935259 where: bonds (distance) C4'-P energy: -87.291 bonds (distance) P-C4' energy: -126.092 flat angles C4'-P-C4' energy: -122.471 flat angles P-C4'-P energy: -70.560 tors. eta vs tors. theta energy: -127.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1615.878338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.878338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.878338 (E_RNA) where: Base-Base interactions energy: -1084.402 where: short stacking energy: -468.404 Base-Backbone interact. energy: 0.102 local terms energy: -531.577797 where: bonds (distance) C4'-P energy: -100.223 bonds (distance) P-C4' energy: -95.776 flat angles C4'-P-C4' energy: -121.060 flat angles P-C4'-P energy: -76.808 tors. eta vs tors. theta energy: -137.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1412.883109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.883109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.883109 (E_RNA) where: Base-Base interactions energy: -962.190 where: short stacking energy: -410.862 Base-Backbone interact. energy: -5.636 local terms energy: -445.057021 where: bonds (distance) C4'-P energy: -79.377 bonds (distance) P-C4' energy: -107.617 flat angles C4'-P-C4' energy: -107.812 flat angles P-C4'-P energy: -66.677 tors. eta vs tors. theta energy: -83.574 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: 9 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1116.983203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.983203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.983203 (E_RNA) where: Base-Base interactions energy: -709.882 where: short stacking energy: -312.671 Base-Backbone interact. energy: 6.230 local terms energy: -413.331537 where: bonds (distance) C4'-P energy: -109.399 bonds (distance) P-C4' energy: -94.950 flat angles C4'-P-C4' energy: -98.753 flat angles P-C4'-P energy: -58.557 tors. eta vs tors. theta energy: -51.673 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: 10, replica: 4 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -794.607236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.607236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.607236 (E_RNA) where: Base-Base interactions energy: -415.467 where: short stacking energy: -223.833 Base-Backbone interact. energy: 1.195 local terms energy: -380.335771 where: bonds (distance) C4'-P energy: -97.796 bonds (distance) P-C4' energy: -102.122 flat angles C4'-P-C4' energy: -92.465 flat angles P-C4'-P energy: -59.116 tors. eta vs tors. theta energy: -28.838 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: 1, replica: 10 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2209.402097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.402097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.402097 (E_RNA) where: Base-Base interactions energy: -1534.326 where: short stacking energy: -648.822 Base-Backbone interact. energy: -0.446 local terms energy: -674.630838 where: bonds (distance) C4'-P energy: -125.747 bonds (distance) P-C4' energy: -119.464 flat angles C4'-P-C4' energy: -144.117 flat angles P-C4'-P energy: -85.651 tors. eta vs tors. theta energy: -199.652 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: 5 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2076.850753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.850753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.850753 (E_RNA) where: Base-Base interactions energy: -1469.340 where: short stacking energy: -587.348 Base-Backbone interact. energy: -3.719 local terms energy: -603.791422 where: bonds (distance) C4'-P energy: -103.445 bonds (distance) P-C4' energy: -126.549 flat angles C4'-P-C4' energy: -128.460 flat angles P-C4'-P energy: -89.467 tors. eta vs tors. theta energy: -155.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2100.790001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.790001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.790001 (E_RNA) where: Base-Base interactions energy: -1475.801 where: short stacking energy: -630.676 Base-Backbone interact. energy: 0.797 local terms energy: -625.786261 where: bonds (distance) C4'-P energy: -112.326 bonds (distance) P-C4' energy: -117.963 flat angles C4'-P-C4' energy: -131.957 flat angles P-C4'-P energy: -85.960 tors. eta vs tors. theta energy: -177.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1956.886520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.886520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.886520 (E_RNA) where: Base-Base interactions energy: -1371.249 where: short stacking energy: -555.421 Base-Backbone interact. energy: -0.698 local terms energy: -584.939293 where: bonds (distance) C4'-P energy: -115.605 bonds (distance) P-C4' energy: -113.857 flat angles C4'-P-C4' energy: -120.493 flat angles P-C4'-P energy: -83.720 tors. eta vs tors. theta energy: -151.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1803.229083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.229083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.229083 (E_RNA) where: Base-Base interactions energy: -1236.411 where: short stacking energy: -508.246 Base-Backbone interact. energy: -4.779 local terms energy: -562.038468 where: bonds (distance) C4'-P energy: -105.997 bonds (distance) P-C4' energy: -115.167 flat angles C4'-P-C4' energy: -122.597 flat angles P-C4'-P energy: -89.938 tors. eta vs tors. theta energy: -128.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1725.221515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.221515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.221515 (E_RNA) where: Base-Base interactions energy: -1180.226 where: short stacking energy: -545.924 Base-Backbone interact. energy: -1.565 local terms energy: -543.430974 where: bonds (distance) C4'-P energy: -110.364 bonds (distance) P-C4' energy: -113.455 flat angles C4'-P-C4' energy: -109.881 flat angles P-C4'-P energy: -69.212 tors. eta vs tors. theta energy: -140.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1572.206136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.206136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.206136 (E_RNA) where: Base-Base interactions energy: -1054.733 where: short stacking energy: -478.198 Base-Backbone interact. energy: 2.671 local terms energy: -520.143690 where: bonds (distance) C4'-P energy: -97.317 bonds (distance) P-C4' energy: -82.563 flat angles C4'-P-C4' energy: -134.341 flat angles P-C4'-P energy: -74.849 tors. eta vs tors. theta energy: -131.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1404.261687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.261687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.261687 (E_RNA) where: Base-Base interactions energy: -907.151 where: short stacking energy: -403.425 Base-Backbone interact. energy: -3.122 local terms energy: -493.989034 where: bonds (distance) C4'-P energy: -120.922 bonds (distance) P-C4' energy: -99.290 flat angles C4'-P-C4' energy: -108.396 flat angles P-C4'-P energy: -77.481 tors. eta vs tors. theta energy: -87.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1120.870558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.870558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.870558 (E_RNA) where: Base-Base interactions energy: -697.606 where: short stacking energy: -306.272 Base-Backbone interact. energy: -1.991 local terms energy: -421.273334 where: bonds (distance) C4'-P energy: -98.712 bonds (distance) P-C4' energy: -100.708 flat angles C4'-P-C4' energy: -106.218 flat angles P-C4'-P energy: -50.708 tors. eta vs tors. theta energy: -64.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -726.822576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.822576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.822576 (E_RNA) where: Base-Base interactions energy: -379.926 where: short stacking energy: -228.422 Base-Backbone interact. energy: 1.179 local terms energy: -348.075225 where: bonds (distance) C4'-P energy: -76.354 bonds (distance) P-C4' energy: -105.112 flat angles C4'-P-C4' energy: -103.677 flat angles P-C4'-P energy: -43.995 tors. eta vs tors. theta energy: -18.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2186.720151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.720151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.720151 (E_RNA) where: Base-Base interactions energy: -1526.845 where: short stacking energy: -648.854 Base-Backbone interact. energy: -1.227 local terms energy: -658.647963 where: bonds (distance) C4'-P energy: -119.995 bonds (distance) P-C4' energy: -109.777 flat angles C4'-P-C4' energy: -139.528 flat angles P-C4'-P energy: -99.098 tors. eta vs tors. theta energy: -190.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2112.911052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.911052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.911052 (E_RNA) where: Base-Base interactions energy: -1491.864 where: short stacking energy: -638.714 Base-Backbone interact. energy: -2.424 local terms energy: -618.623350 where: bonds (distance) C4'-P energy: -106.800 bonds (distance) P-C4' energy: -125.945 flat angles C4'-P-C4' energy: -129.174 flat angles P-C4'-P energy: -90.128 tors. eta vs tors. theta energy: -166.577 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: 5 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2040.660525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.660525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.660525 (E_RNA) where: Base-Base interactions energy: -1428.237 where: short stacking energy: -595.119 Base-Backbone interact. energy: -5.504 local terms energy: -606.919598 where: bonds (distance) C4'-P energy: -112.311 bonds (distance) P-C4' energy: -117.809 flat angles C4'-P-C4' energy: -124.119 flat angles P-C4'-P energy: -89.303 tors. eta vs tors. theta energy: -163.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1980.971200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.971200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.971200 (E_RNA) where: Base-Base interactions energy: -1380.385 where: short stacking energy: -583.330 Base-Backbone interact. energy: -0.189 local terms energy: -600.397244 where: bonds (distance) C4'-P energy: -108.566 bonds (distance) P-C4' energy: -101.108 flat angles C4'-P-C4' energy: -136.419 flat angles P-C4'-P energy: -85.605 tors. eta vs tors. theta energy: -168.700 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: 7 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1873.180696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.180696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.180696 (E_RNA) where: Base-Base interactions energy: -1303.586 where: short stacking energy: -553.666 Base-Backbone interact. energy: -1.364 local terms energy: -568.231079 where: bonds (distance) C4'-P energy: -95.262 bonds (distance) P-C4' energy: -114.670 flat angles C4'-P-C4' energy: -132.223 flat angles P-C4'-P energy: -82.475 tors. eta vs tors. theta energy: -143.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1725.031777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.031777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.031777 (E_RNA) where: Base-Base interactions energy: -1167.212 where: short stacking energy: -503.845 Base-Backbone interact. energy: -1.968 local terms energy: -555.851479 where: bonds (distance) C4'-P energy: -116.349 bonds (distance) P-C4' energy: -111.057 flat angles C4'-P-C4' energy: -104.364 flat angles P-C4'-P energy: -86.976 tors. eta vs tors. theta energy: -137.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1588.691111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.691111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.691111 (E_RNA) where: Base-Base interactions energy: -1061.561 where: short stacking energy: -467.366 Base-Backbone interact. energy: -0.911 local terms energy: -526.218799 where: bonds (distance) C4'-P energy: -93.932 bonds (distance) P-C4' energy: -93.843 flat angles C4'-P-C4' energy: -120.812 flat angles P-C4'-P energy: -85.384 tors. eta vs tors. theta energy: -132.248 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: 1 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1353.700201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.700201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.700201 (E_RNA) where: Base-Base interactions energy: -912.245 where: short stacking energy: -399.471 Base-Backbone interact. energy: 2.636 local terms energy: -444.091685 where: bonds (distance) C4'-P energy: -103.915 bonds (distance) P-C4' energy: -94.712 flat angles C4'-P-C4' energy: -106.569 flat angles P-C4'-P energy: -54.469 tors. eta vs tors. theta energy: -84.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1096.036251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.036251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.036251 (E_RNA) where: Base-Base interactions energy: -715.577 where: short stacking energy: -336.665 Base-Backbone interact. energy: 1.839 local terms energy: -382.298792 where: bonds (distance) C4'-P energy: -88.402 bonds (distance) P-C4' energy: -100.841 flat angles C4'-P-C4' energy: -90.853 flat angles P-C4'-P energy: -52.291 tors. eta vs tors. theta energy: -49.911 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: 4 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -722.957087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.957087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.957087 (E_RNA) where: Base-Base interactions energy: -380.438 where: short stacking energy: -201.942 Base-Backbone interact. energy: 1.620 local terms energy: -344.138749 where: bonds (distance) C4'-P energy: -90.914 bonds (distance) P-C4' energy: -97.166 flat angles C4'-P-C4' energy: -85.091 flat angles P-C4'-P energy: -69.886 tors. eta vs tors. theta energy: -1.083 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: 10 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2197.926432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.926432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.926432 (E_RNA) where: Base-Base interactions energy: -1514.804 where: short stacking energy: -634.198 Base-Backbone interact. energy: -0.639 local terms energy: -682.483076 where: bonds (distance) C4'-P energy: -120.284 bonds (distance) P-C4' energy: -134.389 flat angles C4'-P-C4' energy: -131.845 flat angles P-C4'-P energy: -103.645 tors. eta vs tors. theta energy: -192.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2134.448835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.448835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.448835 (E_RNA) where: Base-Base interactions energy: -1493.995 where: short stacking energy: -613.646 Base-Backbone interact. energy: -2.341 local terms energy: -638.112576 where: bonds (distance) C4'-P energy: -120.641 bonds (distance) P-C4' energy: -117.704 flat angles C4'-P-C4' energy: -130.405 flat angles P-C4'-P energy: -95.590 tors. eta vs tors. theta energy: -173.772 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: 3, replica: 5 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2051.529289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.529289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.529289 (E_RNA) where: Base-Base interactions energy: -1441.447 where: short stacking energy: -587.271 Base-Backbone interact. energy: -0.046 local terms energy: -610.036666 where: bonds (distance) C4'-P energy: -113.071 bonds (distance) P-C4' energy: -119.752 flat angles C4'-P-C4' energy: -131.143 flat angles P-C4'-P energy: -80.394 tors. eta vs tors. theta energy: -165.677 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: 3 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2003.324241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.324241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.324241 (E_RNA) where: Base-Base interactions energy: -1409.158 where: short stacking energy: -570.954 Base-Backbone interact. energy: -0.495 local terms energy: -593.671370 where: bonds (distance) C4'-P energy: -112.736 bonds (distance) P-C4' energy: -119.173 flat angles C4'-P-C4' energy: -120.405 flat angles P-C4'-P energy: -80.067 tors. eta vs tors. theta energy: -161.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1838.852325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.852325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.852325 (E_RNA) where: Base-Base interactions energy: -1268.364 where: short stacking energy: -539.209 Base-Backbone interact. energy: -2.038 local terms energy: -568.449970 where: bonds (distance) C4'-P energy: -106.044 bonds (distance) P-C4' energy: -108.247 flat angles C4'-P-C4' energy: -130.643 flat angles P-C4'-P energy: -86.372 tors. eta vs tors. theta energy: -137.144 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: 8 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1705.681833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.681833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.681833 (E_RNA) where: Base-Base interactions energy: -1165.212 where: short stacking energy: -500.575 Base-Backbone interact. energy: -0.488 local terms energy: -539.980939 where: bonds (distance) C4'-P energy: -101.883 bonds (distance) P-C4' energy: -105.587 flat angles C4'-P-C4' energy: -128.251 flat angles P-C4'-P energy: -69.705 tors. eta vs tors. theta energy: -134.555 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: 7, replica: 6 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1626.563079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.563079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.563079 (E_RNA) where: Base-Base interactions energy: -1095.034 where: short stacking energy: -528.843 Base-Backbone interact. energy: -1.063 local terms energy: -530.465638 where: bonds (distance) C4'-P energy: -101.835 bonds (distance) P-C4' energy: -99.086 flat angles C4'-P-C4' energy: -120.182 flat angles P-C4'-P energy: -60.362 tors. eta vs tors. theta energy: -149.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1385.736551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.736551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.736551 (E_RNA) where: Base-Base interactions energy: -918.611 where: short stacking energy: -410.453 Base-Backbone interact. energy: -1.987 local terms energy: -465.138245 where: bonds (distance) C4'-P energy: -104.438 bonds (distance) P-C4' energy: -110.201 flat angles C4'-P-C4' energy: -104.508 flat angles P-C4'-P energy: -59.679 tors. eta vs tors. theta energy: -86.312 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: 9, replica: 9 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1176.299336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.299336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.299336 (E_RNA) where: Base-Base interactions energy: -745.259 where: short stacking energy: -337.501 Base-Backbone interact. energy: -0.438 local terms energy: -430.602501 where: bonds (distance) C4'-P energy: -73.681 bonds (distance) P-C4' energy: -117.885 flat angles C4'-P-C4' energy: -100.302 flat angles P-C4'-P energy: -61.158 tors. eta vs tors. theta energy: -77.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -754.954807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.954807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.954807 (E_RNA) where: Base-Base interactions energy: -429.738 where: short stacking energy: -234.587 Base-Backbone interact. energy: 2.655 local terms energy: -327.872463 where: bonds (distance) C4'-P energy: -86.209 bonds (distance) P-C4' energy: -101.106 flat angles C4'-P-C4' energy: -71.421 flat angles P-C4'-P energy: -54.097 tors. eta vs tors. theta energy: -15.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2207.339099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.339099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.339099 (E_RNA) where: Base-Base interactions energy: -1546.213 where: short stacking energy: -656.097 Base-Backbone interact. energy: -0.108 local terms energy: -661.018293 where: bonds (distance) C4'-P energy: -113.968 bonds (distance) P-C4' energy: -116.610 flat angles C4'-P-C4' energy: -134.900 flat angles P-C4'-P energy: -104.006 tors. eta vs tors. theta energy: -191.534 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: 2 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2116.513799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.513799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.513799 (E_RNA) where: Base-Base interactions energy: -1458.692 where: short stacking energy: -597.205 Base-Backbone interact. energy: -5.424 local terms energy: -652.398132 where: bonds (distance) C4'-P energy: -119.791 bonds (distance) P-C4' energy: -126.174 flat angles C4'-P-C4' energy: -145.852 flat angles P-C4'-P energy: -83.990 tors. eta vs tors. theta energy: -176.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2055.456383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.456383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.456383 (E_RNA) where: Base-Base interactions energy: -1465.012 where: short stacking energy: -588.448 Base-Backbone interact. energy: 3.815 local terms energy: -594.259733 where: bonds (distance) C4'-P energy: -116.950 bonds (distance) P-C4' energy: -105.449 flat angles C4'-P-C4' energy: -131.202 flat angles P-C4'-P energy: -82.455 tors. eta vs tors. theta energy: -158.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1953.546584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.546584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.546584 (E_RNA) where: Base-Base interactions energy: -1380.849 where: short stacking energy: -565.601 Base-Backbone interact. energy: -3.013 local terms energy: -569.684624 where: bonds (distance) C4'-P energy: -108.616 bonds (distance) P-C4' energy: -96.342 flat angles C4'-P-C4' energy: -123.576 flat angles P-C4'-P energy: -83.620 tors. eta vs tors. theta energy: -157.531 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: 5, replica: 7 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1775.177495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.177495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.177495 (E_RNA) where: Base-Base interactions energy: -1183.927 where: short stacking energy: -496.150 Base-Backbone interact. energy: -1.465 local terms energy: -589.785591 where: bonds (distance) C4'-P energy: -122.960 bonds (distance) P-C4' energy: -116.412 flat angles C4'-P-C4' energy: -142.208 flat angles P-C4'-P energy: -86.860 tors. eta vs tors. theta energy: -121.346 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: 6, replica: 8 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1719.719124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.719124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.719124 (E_RNA) where: Base-Base interactions energy: -1151.587 where: short stacking energy: -484.632 Base-Backbone interact. energy: -3.875 local terms energy: -564.256500 where: bonds (distance) C4'-P energy: -104.892 bonds (distance) P-C4' energy: -118.494 flat angles C4'-P-C4' energy: -132.127 flat angles P-C4'-P energy: -82.111 tors. eta vs tors. theta energy: -126.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1620.001889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.001889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.001889 (E_RNA) where: Base-Base interactions energy: -1083.864 where: short stacking energy: -472.655 Base-Backbone interact. energy: -4.618 local terms energy: -531.520277 where: bonds (distance) C4'-P energy: -97.399 bonds (distance) P-C4' energy: -109.781 flat angles C4'-P-C4' energy: -127.929 flat angles P-C4'-P energy: -69.978 tors. eta vs tors. theta energy: -126.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1385.162416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.162416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.162416 (E_RNA) where: Base-Base interactions energy: -922.778 where: short stacking energy: -392.305 Base-Backbone interact. energy: -0.656 local terms energy: -461.728894 where: bonds (distance) C4'-P energy: -93.066 bonds (distance) P-C4' energy: -102.547 flat angles C4'-P-C4' energy: -115.199 flat angles P-C4'-P energy: -63.452 tors. eta vs tors. theta energy: -87.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1196.809002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.809002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.809002 (E_RNA) where: Base-Base interactions energy: -755.253 where: short stacking energy: -344.239 Base-Backbone interact. energy: 0.443 local terms energy: -441.999518 where: bonds (distance) C4'-P energy: -97.787 bonds (distance) P-C4' energy: -108.722 flat angles C4'-P-C4' energy: -101.203 flat angles P-C4'-P energy: -66.830 tors. eta vs tors. theta energy: -67.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -822.304575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.304575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.304575 (E_RNA) where: Base-Base interactions energy: -448.749 where: short stacking energy: -258.229 Base-Backbone interact. energy: 2.491 local terms energy: -376.046385 where: bonds (distance) C4'-P energy: -82.142 bonds (distance) P-C4' energy: -95.370 flat angles C4'-P-C4' energy: -100.020 flat angles P-C4'-P energy: -46.452 tors. eta vs tors. theta energy: -52.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2235.196844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.196844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.196844 (E_RNA) where: Base-Base interactions energy: -1569.158 where: short stacking energy: -661.711 Base-Backbone interact. energy: -1.132 local terms energy: -664.907132 where: bonds (distance) C4'-P energy: -130.698 bonds (distance) P-C4' energy: -120.822 flat angles C4'-P-C4' energy: -134.539 flat angles P-C4'-P energy: -83.646 tors. eta vs tors. theta energy: -195.203 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: 2, replica: 2 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2125.254454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.254454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.254454 (E_RNA) where: Base-Base interactions energy: -1488.200 where: short stacking energy: -608.484 Base-Backbone interact. energy: -1.452 local terms energy: -635.602757 where: bonds (distance) C4'-P energy: -116.781 bonds (distance) P-C4' energy: -123.776 flat angles C4'-P-C4' energy: -133.258 flat angles P-C4'-P energy: -87.450 tors. eta vs tors. theta energy: -174.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2027.382238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.382238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.382238 (E_RNA) where: Base-Base interactions energy: -1436.240 where: short stacking energy: -582.876 Base-Backbone interact. energy: 6.297 local terms energy: -597.439483 where: bonds (distance) C4'-P energy: -111.923 bonds (distance) P-C4' energy: -105.585 flat angles C4'-P-C4' energy: -130.555 flat angles P-C4'-P energy: -94.013 tors. eta vs tors. theta energy: -155.364 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: 3 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1970.279954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.279954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.279954 (E_RNA) where: Base-Base interactions energy: -1392.754 where: short stacking energy: -583.730 Base-Backbone interact. energy: 1.591 local terms energy: -579.116130 where: bonds (distance) C4'-P energy: -100.636 bonds (distance) P-C4' energy: -98.004 flat angles C4'-P-C4' energy: -124.378 flat angles P-C4'-P energy: -88.937 tors. eta vs tors. theta energy: -167.161 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: 5, replica: 7 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1838.200957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.200957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.200957 (E_RNA) where: Base-Base interactions energy: -1239.139 where: short stacking energy: -558.901 Base-Backbone interact. energy: -1.307 local terms energy: -597.754789 where: bonds (distance) C4'-P energy: -118.162 bonds (distance) P-C4' energy: -102.902 flat angles C4'-P-C4' energy: -134.535 flat angles P-C4'-P energy: -82.334 tors. eta vs tors. theta energy: -159.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1697.810596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.810596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.810596 (E_RNA) where: Base-Base interactions energy: -1196.348 where: short stacking energy: -545.698 Base-Backbone interact. energy: -2.653 local terms energy: -498.810368 where: bonds (distance) C4'-P energy: -97.131 bonds (distance) P-C4' energy: -94.691 flat angles C4'-P-C4' energy: -104.051 flat angles P-C4'-P energy: -70.489 tors. eta vs tors. theta energy: -132.448 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: 6 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1635.886206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.886206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.886206 (E_RNA) where: Base-Base interactions energy: -1109.718 where: short stacking energy: -501.299 Base-Backbone interact. energy: 0.936 local terms energy: -527.104234 where: bonds (distance) C4'-P energy: -99.645 bonds (distance) P-C4' energy: -103.789 flat angles C4'-P-C4' energy: -117.317 flat angles P-C4'-P energy: -66.386 tors. eta vs tors. theta energy: -139.966 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: 1 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1431.608091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.608091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.608091 (E_RNA) where: Base-Base interactions energy: -950.011 where: short stacking energy: -419.861 Base-Backbone interact. energy: 2.125 local terms energy: -483.722078 where: bonds (distance) C4'-P energy: -90.182 bonds (distance) P-C4' energy: -113.084 flat angles C4'-P-C4' energy: -102.217 flat angles P-C4'-P energy: -78.533 tors. eta vs tors. theta energy: -99.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1192.571140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.571140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.571140 (E_RNA) where: Base-Base interactions energy: -741.609 where: short stacking energy: -344.366 Base-Backbone interact. energy: -5.024 local terms energy: -445.938478 where: bonds (distance) C4'-P energy: -100.538 bonds (distance) P-C4' energy: -115.760 flat angles C4'-P-C4' energy: -100.440 flat angles P-C4'-P energy: -57.009 tors. eta vs tors. theta energy: -72.191 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: 4 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -738.437230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.437230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.437230 (E_RNA) where: Base-Base interactions energy: -374.285 where: short stacking energy: -211.895 Base-Backbone interact. energy: -1.543 local terms energy: -362.609325 where: bonds (distance) C4'-P energy: -112.865 bonds (distance) P-C4' energy: -99.112 flat angles C4'-P-C4' energy: -87.932 flat angles P-C4'-P energy: -47.695 tors. eta vs tors. theta energy: -15.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2227.441770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.441770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.441770 (E_RNA) where: Base-Base interactions energy: -1531.644 where: short stacking energy: -642.741 Base-Backbone interact. energy: 0.194 local terms energy: -695.992170 where: bonds (distance) C4'-P energy: -131.800 bonds (distance) P-C4' energy: -130.195 flat angles C4'-P-C4' energy: -143.046 flat angles P-C4'-P energy: -99.904 tors. eta vs tors. theta energy: -191.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2119.443816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.443816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.443816 (E_RNA) where: Base-Base interactions energy: -1488.983 where: short stacking energy: -644.226 Base-Backbone interact. energy: -4.459 local terms energy: -626.001945 where: bonds (distance) C4'-P energy: -120.773 bonds (distance) P-C4' energy: -112.732 flat angles C4'-P-C4' energy: -141.311 flat angles P-C4'-P energy: -80.524 tors. eta vs tors. theta energy: -170.662 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: 5 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2048.857980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.857980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.857980 (E_RNA) where: Base-Base interactions energy: -1442.836 where: short stacking energy: -594.984 Base-Backbone interact. energy: -4.330 local terms energy: -601.692486 where: bonds (distance) C4'-P energy: -101.013 bonds (distance) P-C4' energy: -120.155 flat angles C4'-P-C4' energy: -131.834 flat angles P-C4'-P energy: -86.825 tors. eta vs tors. theta energy: -161.866 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: 3 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2021.954343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.954343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.954343 (E_RNA) where: Base-Base interactions energy: -1431.045 where: short stacking energy: -589.553 Base-Backbone interact. energy: -1.326 local terms energy: -589.584007 where: bonds (distance) C4'-P energy: -122.714 bonds (distance) P-C4' energy: -113.459 flat angles C4'-P-C4' energy: -123.585 flat angles P-C4'-P energy: -66.455 tors. eta vs tors. theta energy: -163.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1815.301969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.301969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.301969 (E_RNA) where: Base-Base interactions energy: -1253.626 where: short stacking energy: -531.180 Base-Backbone interact. energy: -3.055 local terms energy: -558.621100 where: bonds (distance) C4'-P energy: -110.757 bonds (distance) P-C4' energy: -104.239 flat angles C4'-P-C4' energy: -117.835 flat angles P-C4'-P energy: -89.630 tors. eta vs tors. theta energy: -136.161 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: 8 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1677.487015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.487015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.487015 (E_RNA) where: Base-Base interactions energy: -1183.581 where: short stacking energy: -504.805 Base-Backbone interact. energy: -1.709 local terms energy: -492.197012 where: bonds (distance) C4'-P energy: -95.405 bonds (distance) P-C4' energy: -100.378 flat angles C4'-P-C4' energy: -103.966 flat angles P-C4'-P energy: -76.944 tors. eta vs tors. theta energy: -115.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1630.911943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.911943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.911943 (E_RNA) where: Base-Base interactions energy: -1096.162 where: short stacking energy: -480.244 Base-Backbone interact. energy: -0.114 local terms energy: -534.635983 where: bonds (distance) C4'-P energy: -106.165 bonds (distance) P-C4' energy: -112.367 flat angles C4'-P-C4' energy: -112.085 flat angles P-C4'-P energy: -74.273 tors. eta vs tors. theta energy: -129.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1382.599563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.599563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.599563 (E_RNA) where: Base-Base interactions energy: -891.196 where: short stacking energy: -416.133 Base-Backbone interact. energy: -3.002 local terms energy: -488.401493 where: bonds (distance) C4'-P energy: -109.954 bonds (distance) P-C4' energy: -90.246 flat angles C4'-P-C4' energy: -118.574 flat angles P-C4'-P energy: -75.959 tors. eta vs tors. theta energy: -93.668 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: 9 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1169.762464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.762464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.762464 (E_RNA) where: Base-Base interactions energy: -744.180 where: short stacking energy: -335.859 Base-Backbone interact. energy: 4.167 local terms energy: -429.749369 where: bonds (distance) C4'-P energy: -106.812 bonds (distance) P-C4' energy: -87.378 flat angles C4'-P-C4' energy: -104.256 flat angles P-C4'-P energy: -62.522 tors. eta vs tors. theta energy: -68.781 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: 4 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -753.941280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.941280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.941280 (E_RNA) where: Base-Base interactions energy: -406.194 where: short stacking energy: -223.401 Base-Backbone interact. energy: -2.547 local terms energy: -345.200041 where: bonds (distance) C4'-P energy: -103.398 bonds (distance) P-C4' energy: -102.047 flat angles C4'-P-C4' energy: -83.498 flat angles P-C4'-P energy: -46.676 tors. eta vs tors. theta energy: -9.580 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: 10 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2234.796458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.796458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.796458 (E_RNA) where: Base-Base interactions energy: -1561.956 where: short stacking energy: -665.087 Base-Backbone interact. energy: -1.607 local terms energy: -671.233110 where: bonds (distance) C4'-P energy: -117.780 bonds (distance) P-C4' energy: -125.402 flat angles C4'-P-C4' energy: -132.182 flat angles P-C4'-P energy: -101.902 tors. eta vs tors. theta energy: -193.967 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: 2 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2116.455904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.455904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.455904 (E_RNA) where: Base-Base interactions energy: -1487.928 where: short stacking energy: -630.311 Base-Backbone interact. energy: -2.179 local terms energy: -626.349141 where: bonds (distance) C4'-P energy: -116.986 bonds (distance) P-C4' energy: -109.651 flat angles C4'-P-C4' energy: -135.357 flat angles P-C4'-P energy: -89.790 tors. eta vs tors. theta energy: -174.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2047.598066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.598066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.598066 (E_RNA) where: Base-Base interactions energy: -1430.571 where: short stacking energy: -579.184 Base-Backbone interact. energy: -0.833 local terms energy: -616.194187 where: bonds (distance) C4'-P energy: -114.464 bonds (distance) P-C4' energy: -126.232 flat angles C4'-P-C4' energy: -134.025 flat angles P-C4'-P energy: -80.100 tors. eta vs tors. theta energy: -161.373 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: 4, replica: 5 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1989.964035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.964035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.964035 (E_RNA) where: Base-Base interactions energy: -1396.244 where: short stacking energy: -575.883 Base-Backbone interact. energy: -1.498 local terms energy: -592.221759 where: bonds (distance) C4'-P energy: -107.855 bonds (distance) P-C4' energy: -105.947 flat angles C4'-P-C4' energy: -146.325 flat angles P-C4'-P energy: -74.183 tors. eta vs tors. theta energy: -157.912 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: 7 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1788.448555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.448555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.448555 (E_RNA) where: Base-Base interactions energy: -1240.801 where: short stacking energy: -546.421 Base-Backbone interact. energy: 2.532 local terms energy: -550.179536 where: bonds (distance) C4'-P energy: -112.818 bonds (distance) P-C4' energy: -80.703 flat angles C4'-P-C4' energy: -122.329 flat angles P-C4'-P energy: -79.070 tors. eta vs tors. theta energy: -155.259 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: 6, replica: 8 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1705.843065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.843065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.843065 (E_RNA) where: Base-Base interactions energy: -1193.538 where: short stacking energy: -520.534 Base-Backbone interact. energy: -1.861 local terms energy: -510.444027 where: bonds (distance) C4'-P energy: -89.107 bonds (distance) P-C4' energy: -103.734 flat angles C4'-P-C4' energy: -113.873 flat angles P-C4'-P energy: -74.078 tors. eta vs tors. theta energy: -129.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1642.869471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.869471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.869471 (E_RNA) where: Base-Base interactions energy: -1070.509 where: short stacking energy: -480.349 Base-Backbone interact. energy: -2.733 local terms energy: -569.627516 where: bonds (distance) C4'-P energy: -99.213 bonds (distance) P-C4' energy: -108.684 flat angles C4'-P-C4' energy: -121.710 flat angles P-C4'-P energy: -83.223 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: 8, replica: 1 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1399.864509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.864509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.864509 (E_RNA) where: Base-Base interactions energy: -926.911 where: short stacking energy: -410.060 Base-Backbone interact. energy: -1.002 local terms energy: -471.952304 where: bonds (distance) C4'-P energy: -81.459 bonds (distance) P-C4' energy: -92.710 flat angles C4'-P-C4' energy: -112.850 flat angles P-C4'-P energy: -83.332 tors. eta vs tors. theta energy: -101.601 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: 9, replica: 9 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1137.156924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.156924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.156924 (E_RNA) where: Base-Base interactions energy: -735.353 where: short stacking energy: -339.977 Base-Backbone interact. energy: 0.380 local terms energy: -402.183394 where: bonds (distance) C4'-P energy: -114.909 bonds (distance) P-C4' energy: -83.465 flat angles C4'-P-C4' energy: -88.523 flat angles P-C4'-P energy: -54.048 tors. eta vs tors. theta energy: -61.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -715.774198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.774198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.774198 (E_RNA) where: Base-Base interactions energy: -396.158 where: short stacking energy: -214.385 Base-Backbone interact. energy: 6.189 local terms energy: -325.805562 where: bonds (distance) C4'-P energy: -94.230 bonds (distance) P-C4' energy: -98.980 flat angles C4'-P-C4' energy: -80.916 flat angles P-C4'-P energy: -40.819 tors. eta vs tors. theta energy: -10.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2228.980391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.980391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.980391 (E_RNA) where: Base-Base interactions energy: -1556.065 where: short stacking energy: -660.908 Base-Backbone interact. energy: -3.372 local terms energy: -669.542710 where: bonds (distance) C4'-P energy: -112.344 bonds (distance) P-C4' energy: -120.872 flat angles C4'-P-C4' energy: -141.592 flat angles P-C4'-P energy: -90.879 tors. eta vs tors. theta energy: -203.856 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: 2 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2098.203805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.203805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.203805 (E_RNA) where: Base-Base interactions energy: -1459.487 where: short stacking energy: -623.337 Base-Backbone interact. energy: -1.866 local terms energy: -636.850507 where: bonds (distance) C4'-P energy: -106.428 bonds (distance) P-C4' energy: -132.231 flat angles C4'-P-C4' energy: -134.119 flat angles P-C4'-P energy: -92.791 tors. eta vs tors. theta energy: -171.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2058.981356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.981356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.981356 (E_RNA) where: Base-Base interactions energy: -1453.823 where: short stacking energy: -614.513 Base-Backbone interact. energy: -0.883 local terms energy: -604.275454 where: bonds (distance) C4'-P energy: -114.971 bonds (distance) P-C4' energy: -98.374 flat angles C4'-P-C4' energy: -129.684 flat angles P-C4'-P energy: -86.894 tors. eta vs tors. theta energy: -174.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1984.953859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.953859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.953859 (E_RNA) where: Base-Base interactions energy: -1402.986 where: short stacking energy: -579.684 Base-Backbone interact. energy: 5.131 local terms energy: -587.098888 where: bonds (distance) C4'-P energy: -107.934 bonds (distance) P-C4' energy: -105.060 flat angles C4'-P-C4' energy: -127.588 flat angles P-C4'-P energy: -79.138 tors. eta vs tors. theta energy: -167.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1815.516910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.516910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.516910 (E_RNA) where: Base-Base interactions energy: -1249.786 where: short stacking energy: -542.824 Base-Backbone interact. energy: -2.978 local terms energy: -562.752619 where: bonds (distance) C4'-P energy: -121.466 bonds (distance) P-C4' energy: -102.529 flat angles C4'-P-C4' energy: -116.235 flat angles P-C4'-P energy: -76.571 tors. eta vs tors. theta energy: -145.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1703.521181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.521181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.521181 (E_RNA) where: Base-Base interactions energy: -1140.011 where: short stacking energy: -482.654 Base-Backbone interact. energy: -5.011 local terms energy: -558.498595 where: bonds (distance) C4'-P energy: -112.788 bonds (distance) P-C4' energy: -106.135 flat angles C4'-P-C4' energy: -113.725 flat angles P-C4'-P energy: -83.816 tors. eta vs tors. theta energy: -142.035 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: 7, replica: 8 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1664.954351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.954351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.954351 (E_RNA) where: Base-Base interactions energy: -1144.848 where: short stacking energy: -512.494 Base-Backbone interact. energy: -3.891 local terms energy: -516.215354 where: bonds (distance) C4'-P energy: -102.826 bonds (distance) P-C4' energy: -107.554 flat angles C4'-P-C4' energy: -117.322 flat angles P-C4'-P energy: -74.343 tors. eta vs tors. theta energy: -114.170 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: 8, replica: 1 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1379.572249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.572249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.572249 (E_RNA) where: Base-Base interactions energy: -932.728 where: short stacking energy: -407.928 Base-Backbone interact. energy: 5.543 local terms energy: -452.387020 where: bonds (distance) C4'-P energy: -102.109 bonds (distance) P-C4' energy: -106.525 flat angles C4'-P-C4' energy: -106.580 flat angles P-C4'-P energy: -52.065 tors. eta vs tors. theta energy: -85.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1128.328465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.328465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.328465 (E_RNA) where: Base-Base interactions energy: -717.127 where: short stacking energy: -328.394 Base-Backbone interact. energy: 0.118 local terms energy: -411.319425 where: bonds (distance) C4'-P energy: -90.040 bonds (distance) P-C4' energy: -105.109 flat angles C4'-P-C4' energy: -99.028 flat angles P-C4'-P energy: -65.094 tors. eta vs tors. theta energy: -52.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -706.511531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.511531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.511531 (E_RNA) where: Base-Base interactions energy: -382.735 where: short stacking energy: -228.158 Base-Backbone interact. energy: 5.617 local terms energy: -329.392961 where: bonds (distance) C4'-P energy: -81.459 bonds (distance) P-C4' energy: -96.375 flat angles C4'-P-C4' energy: -86.386 flat angles P-C4'-P energy: -47.748 tors. eta vs tors. theta energy: -17.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2223.756408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.756408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.756408 (E_RNA) where: Base-Base interactions energy: -1543.544 where: short stacking energy: -648.052 Base-Backbone interact. energy: -2.464 local terms energy: -677.748171 where: bonds (distance) C4'-P energy: -120.127 bonds (distance) P-C4' energy: -137.384 flat angles C4'-P-C4' energy: -137.634 flat angles P-C4'-P energy: -84.902 tors. eta vs tors. theta energy: -197.702 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: 2 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2136.149843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.149843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.149843 (E_RNA) where: Base-Base interactions energy: -1493.534 where: short stacking energy: -647.816 Base-Backbone interact. energy: -2.116 local terms energy: -640.500584 where: bonds (distance) C4'-P energy: -105.127 bonds (distance) P-C4' energy: -128.858 flat angles C4'-P-C4' energy: -129.493 flat angles P-C4'-P energy: -92.929 tors. eta vs tors. theta energy: -184.094 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: 5 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2072.935670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.935670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.935670 (E_RNA) where: Base-Base interactions energy: -1443.140 where: short stacking energy: -620.889 Base-Backbone interact. energy: -2.279 local terms energy: -627.516632 where: bonds (distance) C4'-P energy: -128.187 bonds (distance) P-C4' energy: -110.282 flat angles C4'-P-C4' energy: -136.545 flat angles P-C4'-P energy: -87.652 tors. eta vs tors. theta energy: -164.852 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: 3 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1990.245985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.245985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.245985 (E_RNA) where: Base-Base interactions energy: -1395.384 where: short stacking energy: -577.797 Base-Backbone interact. energy: -0.608 local terms energy: -594.253784 where: bonds (distance) C4'-P energy: -121.534 bonds (distance) P-C4' energy: -106.133 flat angles C4'-P-C4' energy: -129.608 flat angles P-C4'-P energy: -78.537 tors. eta vs tors. theta energy: -158.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1857.500519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.500519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.500519 (E_RNA) where: Base-Base interactions energy: -1248.861 where: short stacking energy: -549.556 Base-Backbone interact. energy: -3.808 local terms energy: -604.831262 where: bonds (distance) C4'-P energy: -121.201 bonds (distance) P-C4' energy: -113.126 flat angles C4'-P-C4' energy: -131.887 flat angles P-C4'-P energy: -69.515 tors. eta vs tors. theta energy: -169.103 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: 6, replica: 6 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1674.408108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.408108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.408108 (E_RNA) where: Base-Base interactions energy: -1122.860 where: short stacking energy: -503.879 Base-Backbone interact. energy: -1.305 local terms energy: -550.243393 where: bonds (distance) C4'-P energy: -112.936 bonds (distance) P-C4' energy: -111.560 flat angles C4'-P-C4' energy: -123.222 flat angles P-C4'-P energy: -70.232 tors. eta vs tors. theta energy: -132.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1642.139989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.139989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.139989 (E_RNA) where: Base-Base interactions energy: -1126.935 where: short stacking energy: -502.578 Base-Backbone interact. energy: -1.657 local terms energy: -513.548079 where: bonds (distance) C4'-P energy: -89.809 bonds (distance) P-C4' energy: -107.865 flat angles C4'-P-C4' energy: -118.514 flat angles P-C4'-P energy: -73.104 tors. eta vs tors. theta energy: -124.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1438.876312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.876312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.876312 (E_RNA) where: Base-Base interactions energy: -966.970 where: short stacking energy: -416.790 Base-Backbone interact. energy: -1.505 local terms energy: -470.401895 where: bonds (distance) C4'-P energy: -96.691 bonds (distance) P-C4' energy: -101.077 flat angles C4'-P-C4' energy: -110.526 flat angles P-C4'-P energy: -64.669 tors. eta vs tors. theta energy: -97.439 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: 9 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1165.925737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.925737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.925737 (E_RNA) where: Base-Base interactions energy: -751.549 where: short stacking energy: -351.926 Base-Backbone interact. energy: -0.833 local terms energy: -413.543572 where: bonds (distance) C4'-P energy: -79.029 bonds (distance) P-C4' energy: -107.142 flat angles C4'-P-C4' energy: -106.143 flat angles P-C4'-P energy: -58.667 tors. eta vs tors. theta energy: -62.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -720.871916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.871916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.871916 (E_RNA) where: Base-Base interactions energy: -376.820 where: short stacking energy: -211.324 Base-Backbone interact. energy: 0.193 local terms energy: -344.244453 where: bonds (distance) C4'-P energy: -94.726 bonds (distance) P-C4' energy: -102.268 flat angles C4'-P-C4' energy: -84.820 flat angles P-C4'-P energy: -56.534 tors. eta vs tors. theta energy: -5.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2257.237405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.237405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.237405 (E_RNA) where: Base-Base interactions energy: -1545.986 where: short stacking energy: -664.570 Base-Backbone interact. energy: -1.755 local terms energy: -709.496180 where: bonds (distance) C4'-P energy: -120.599 bonds (distance) P-C4' energy: -137.029 flat angles C4'-P-C4' energy: -143.876 flat angles P-C4'-P energy: -104.569 tors. eta vs tors. theta energy: -203.423 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: 2 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2152.129629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.129629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.129629 (E_RNA) where: Base-Base interactions energy: -1487.194 where: short stacking energy: -651.520 Base-Backbone interact. energy: 1.744 local terms energy: -666.678827 where: bonds (distance) C4'-P energy: -121.476 bonds (distance) P-C4' energy: -120.645 flat angles C4'-P-C4' energy: -146.767 flat angles P-C4'-P energy: -93.240 tors. eta vs tors. theta energy: -184.552 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: 5 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2036.486561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.486561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.486561 (E_RNA) where: Base-Base interactions energy: -1442.408 where: short stacking energy: -584.154 Base-Backbone interact. energy: -5.526 local terms energy: -588.552009 where: bonds (distance) C4'-P energy: -110.569 bonds (distance) P-C4' energy: -120.270 flat angles C4'-P-C4' energy: -122.733 flat angles P-C4'-P energy: -74.368 tors. eta vs tors. theta energy: -160.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2002.472929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.472929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.472929 (E_RNA) where: Base-Base interactions energy: -1418.798 where: short stacking energy: -591.271 Base-Backbone interact. energy: -1.465 local terms energy: -582.210809 where: bonds (distance) C4'-P energy: -96.723 bonds (distance) P-C4' energy: -127.442 flat angles C4'-P-C4' energy: -128.250 flat angles P-C4'-P energy: -64.665 tors. eta vs tors. theta energy: -165.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1862.994262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.994262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.994262 (E_RNA) where: Base-Base interactions energy: -1259.728 where: short stacking energy: -560.016 Base-Backbone interact. energy: -2.469 local terms energy: -600.797540 where: bonds (distance) C4'-P energy: -114.459 bonds (distance) P-C4' energy: -119.563 flat angles C4'-P-C4' energy: -130.892 flat angles P-C4'-P energy: -73.057 tors. eta vs tors. theta energy: -162.827 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: 6 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1720.461784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.461784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.461784 (E_RNA) where: Base-Base interactions energy: -1161.348 where: short stacking energy: -530.191 Base-Backbone interact. energy: -1.318 local terms energy: -557.796032 where: bonds (distance) C4'-P energy: -117.483 bonds (distance) P-C4' energy: -108.221 flat angles C4'-P-C4' energy: -125.712 flat angles P-C4'-P energy: -72.948 tors. eta vs tors. theta energy: -133.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1684.855579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.855579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.855579 (E_RNA) where: Base-Base interactions energy: -1160.783 where: short stacking energy: -490.909 Base-Backbone interact. energy: 4.483 local terms energy: -528.556083 where: bonds (distance) C4'-P energy: -107.567 bonds (distance) P-C4' energy: -100.149 flat angles C4'-P-C4' energy: -117.876 flat angles P-C4'-P energy: -73.249 tors. eta vs tors. theta energy: -129.715 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: 1 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1397.757306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.757306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.757306 (E_RNA) where: Base-Base interactions energy: -937.660 where: short stacking energy: -416.919 Base-Backbone interact. energy: -2.242 local terms energy: -457.855365 where: bonds (distance) C4'-P energy: -99.960 bonds (distance) P-C4' energy: -93.730 flat angles C4'-P-C4' energy: -121.450 flat angles P-C4'-P energy: -60.718 tors. eta vs tors. theta energy: -81.998 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: 345 Temperature: 1.300000 Total energy: -1176.011899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.011899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.011899 (E_RNA) where: Base-Base interactions energy: -730.553 where: short stacking energy: -346.150 Base-Backbone interact. energy: -0.565 local terms energy: -444.893436 where: bonds (distance) C4'-P energy: -114.901 bonds (distance) P-C4' energy: -95.408 flat angles C4'-P-C4' energy: -93.253 flat angles P-C4'-P energy: -69.076 tors. eta vs tors. theta energy: -72.256 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: 4 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -757.495519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.495519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.495519 (E_RNA) where: Base-Base interactions energy: -408.749 where: short stacking energy: -232.215 Base-Backbone interact. energy: 4.873 local terms energy: -353.619394 where: bonds (distance) C4'-P energy: -95.001 bonds (distance) P-C4' energy: -108.817 flat angles C4'-P-C4' energy: -88.690 flat angles P-C4'-P energy: -44.998 tors. eta vs tors. theta energy: -16.112 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: 1, replica: 10 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2253.829831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.829831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.829831 (E_RNA) where: Base-Base interactions energy: -1558.978 where: short stacking energy: -662.058 Base-Backbone interact. energy: -6.108 local terms energy: -688.743242 where: bonds (distance) C4'-P energy: -128.116 bonds (distance) P-C4' energy: -126.569 flat angles C4'-P-C4' energy: -140.956 flat angles P-C4'-P energy: -100.141 tors. eta vs tors. theta energy: -192.963 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: 2 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2118.212822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.212822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.212822 (E_RNA) where: Base-Base interactions energy: -1473.758 where: short stacking energy: -626.737 Base-Backbone interact. energy: -2.230 local terms energy: -642.225143 where: bonds (distance) C4'-P energy: -116.192 bonds (distance) P-C4' energy: -121.076 flat angles C4'-P-C4' energy: -142.672 flat angles P-C4'-P energy: -84.506 tors. eta vs tors. theta energy: -177.780 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: 5 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2046.564956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.564956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.564956 (E_RNA) where: Base-Base interactions energy: -1453.476 where: short stacking energy: -602.626 Base-Backbone interact. energy: -2.563 local terms energy: -590.525404 where: bonds (distance) C4'-P energy: -107.546 bonds (distance) P-C4' energy: -116.088 flat angles C4'-P-C4' energy: -125.030 flat angles P-C4'-P energy: -77.047 tors. eta vs tors. theta energy: -164.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2014.795793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.795793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.795793 (E_RNA) where: Base-Base interactions energy: -1402.793 where: short stacking energy: -571.132 Base-Backbone interact. energy: -1.835 local terms energy: -610.167346 where: bonds (distance) C4'-P energy: -118.387 bonds (distance) P-C4' energy: -116.442 flat angles C4'-P-C4' energy: -126.726 flat angles P-C4'-P energy: -92.492 tors. eta vs tors. theta energy: -156.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1820.800952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.800952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.800952 (E_RNA) where: Base-Base interactions energy: -1245.369 where: short stacking energy: -543.213 Base-Backbone interact. energy: -2.505 local terms energy: -572.926756 where: bonds (distance) C4'-P energy: -101.347 bonds (distance) P-C4' energy: -112.862 flat angles C4'-P-C4' energy: -118.674 flat angles P-C4'-P energy: -94.063 tors. eta vs tors. theta energy: -145.980 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: 6, replica: 6 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1705.500807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.500807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.500807 (E_RNA) where: Base-Base interactions energy: -1152.411 where: short stacking energy: -505.901 Base-Backbone interact. energy: 0.680 local terms energy: -553.769587 where: bonds (distance) C4'-P energy: -104.753 bonds (distance) P-C4' energy: -106.608 flat angles C4'-P-C4' energy: -124.092 flat angles P-C4'-P energy: -73.030 tors. eta vs tors. theta energy: -145.286 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: 7, replica: 8 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1661.369141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.369141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.369141 (E_RNA) where: Base-Base interactions energy: -1146.528 where: short stacking energy: -514.717 Base-Backbone interact. energy: -3.055 local terms energy: -511.786124 where: bonds (distance) C4'-P energy: -99.732 bonds (distance) P-C4' energy: -82.920 flat angles C4'-P-C4' energy: -124.447 flat angles P-C4'-P energy: -67.632 tors. eta vs tors. theta energy: -137.055 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: 1 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1406.713394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.713394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.713394 (E_RNA) where: Base-Base interactions energy: -935.062 where: short stacking energy: -407.523 Base-Backbone interact. energy: -1.973 local terms energy: -469.678724 where: bonds (distance) C4'-P energy: -90.173 bonds (distance) P-C4' energy: -101.739 flat angles C4'-P-C4' energy: -122.960 flat angles P-C4'-P energy: -58.065 tors. eta vs tors. theta energy: -96.741 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: 9 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1237.972348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.972348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.972348 (E_RNA) where: Base-Base interactions energy: -797.656 where: short stacking energy: -372.603 Base-Backbone interact. energy: -0.977 local terms energy: -439.338885 where: bonds (distance) C4'-P energy: -84.479 bonds (distance) P-C4' energy: -108.777 flat angles C4'-P-C4' energy: -108.171 flat angles P-C4'-P energy: -48.515 tors. eta vs tors. theta energy: -89.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -832.279653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.279653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.279653 (E_RNA) where: Base-Base interactions energy: -463.937 where: short stacking energy: -217.061 Base-Backbone interact. energy: 0.844 local terms energy: -369.186318 where: bonds (distance) C4'-P energy: -93.236 bonds (distance) P-C4' energy: -106.865 flat angles C4'-P-C4' energy: -83.288 flat angles P-C4'-P energy: -61.456 tors. eta vs tors. theta energy: -24.342 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: 10 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2256.304395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.304395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.304395 (E_RNA) where: Base-Base interactions energy: -1594.601 where: short stacking energy: -674.896 Base-Backbone interact. energy: 1.480 local terms energy: -663.184102 where: bonds (distance) C4'-P energy: -102.668 bonds (distance) P-C4' energy: -126.697 flat angles C4'-P-C4' energy: -135.347 flat angles P-C4'-P energy: -100.152 tors. eta vs tors. theta energy: -198.320 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: 2 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2123.048976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.048976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.048976 (E_RNA) where: Base-Base interactions energy: -1471.354 where: short stacking energy: -629.025 Base-Backbone interact. energy: -1.623 local terms energy: -650.072117 where: bonds (distance) C4'-P energy: -118.574 bonds (distance) P-C4' energy: -121.320 flat angles C4'-P-C4' energy: -148.895 flat angles P-C4'-P energy: -79.757 tors. eta vs tors. theta energy: -181.525 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: 5 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2040.784998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.784998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.784998 (E_RNA) where: Base-Base interactions energy: -1408.762 where: short stacking energy: -585.805 Base-Backbone interact. energy: -4.313 local terms energy: -627.709819 where: bonds (distance) C4'-P energy: -108.213 bonds (distance) P-C4' energy: -128.809 flat angles C4'-P-C4' energy: -138.024 flat angles P-C4'-P energy: -95.695 tors. eta vs tors. theta energy: -156.969 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: 3 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2019.694266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.694266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.694266 (E_RNA) where: Base-Base interactions energy: -1423.984 where: short stacking energy: -597.363 Base-Backbone interact. energy: -4.280 local terms energy: -591.430288 where: bonds (distance) C4'-P energy: -105.497 bonds (distance) P-C4' energy: -98.365 flat angles C4'-P-C4' energy: -128.496 flat angles P-C4'-P energy: -80.592 tors. eta vs tors. theta energy: -178.480 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: 7 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1820.949290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.949290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.949290 (E_RNA) where: Base-Base interactions energy: -1259.608 where: short stacking energy: -554.761 Base-Backbone interact. energy: -1.161 local terms energy: -560.180104 where: bonds (distance) C4'-P energy: -89.048 bonds (distance) P-C4' energy: -110.711 flat angles C4'-P-C4' energy: -127.317 flat angles P-C4'-P energy: -73.783 tors. eta vs tors. theta energy: -159.320 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: 8 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1741.507334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.507334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.507334 (E_RNA) where: Base-Base interactions energy: -1208.747 where: short stacking energy: -538.385 Base-Backbone interact. energy: -1.842 local terms energy: -530.918111 where: bonds (distance) C4'-P energy: -97.849 bonds (distance) P-C4' energy: -92.596 flat angles C4'-P-C4' energy: -115.274 flat angles P-C4'-P energy: -75.437 tors. eta vs tors. theta energy: -149.762 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: 6 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1666.279028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.279028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.279028 (E_RNA) where: Base-Base interactions energy: -1134.991 where: short stacking energy: -497.025 Base-Backbone interact. energy: -1.039 local terms energy: -530.249312 where: bonds (distance) C4'-P energy: -84.643 bonds (distance) P-C4' energy: -105.250 flat angles C4'-P-C4' energy: -117.642 flat angles P-C4'-P energy: -80.207 tors. eta vs tors. theta energy: -142.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1403.125795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.125795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.125795 (E_RNA) where: Base-Base interactions energy: -916.032 where: short stacking energy: -404.283 Base-Backbone interact. energy: 3.629 local terms energy: -490.723332 where: bonds (distance) C4'-P energy: -105.467 bonds (distance) P-C4' energy: -104.895 flat angles C4'-P-C4' energy: -117.178 flat angles P-C4'-P energy: -64.549 tors. eta vs tors. theta energy: -98.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1149.888485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.888485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.888485 (E_RNA) where: Base-Base interactions energy: -729.205 where: short stacking energy: -343.350 Base-Backbone interact. energy: 0.152 local terms energy: -420.835823 where: bonds (distance) C4'-P energy: -113.736 bonds (distance) P-C4' energy: -91.467 flat angles C4'-P-C4' energy: -86.772 flat angles P-C4'-P energy: -66.694 tors. eta vs tors. theta energy: -62.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -745.397497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.397497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.397497 (E_RNA) where: Base-Base interactions energy: -419.188 where: short stacking energy: -203.823 Base-Backbone interact. energy: -2.906 local terms energy: -323.302936 where: bonds (distance) C4'-P energy: -90.778 bonds (distance) P-C4' energy: -96.026 flat angles C4'-P-C4' energy: -68.269 flat angles P-C4'-P energy: -56.405 tors. eta vs tors. theta energy: -11.825 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: 10 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2211.028293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.028293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.028293 (E_RNA) where: Base-Base interactions energy: -1540.260 where: short stacking energy: -654.437 Base-Backbone interact. energy: -0.857 local terms energy: -669.911188 where: bonds (distance) C4'-P energy: -121.147 bonds (distance) P-C4' energy: -117.599 flat angles C4'-P-C4' energy: -141.132 flat angles P-C4'-P energy: -98.946 tors. eta vs tors. theta energy: -191.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2117.305379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.305379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.305379 (E_RNA) where: Base-Base interactions energy: -1453.538 where: short stacking energy: -632.925 Base-Backbone interact. energy: -0.009 local terms energy: -663.757770 where: bonds (distance) C4'-P energy: -116.383 bonds (distance) P-C4' energy: -129.152 flat angles C4'-P-C4' energy: -143.608 flat angles P-C4'-P energy: -91.967 tors. eta vs tors. theta energy: -182.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2057.210171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.210171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.210171 (E_RNA) where: Base-Base interactions energy: -1429.437 where: short stacking energy: -584.815 Base-Backbone interact. energy: -0.644 local terms energy: -627.129252 where: bonds (distance) C4'-P energy: -117.904 bonds (distance) P-C4' energy: -126.054 flat angles C4'-P-C4' energy: -136.991 flat angles P-C4'-P energy: -82.757 tors. eta vs tors. theta energy: -163.423 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: 4, replica: 3 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2007.428725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.428725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.428725 (E_RNA) where: Base-Base interactions energy: -1373.657 where: short stacking energy: -586.386 Base-Backbone interact. energy: -2.519 local terms energy: -631.253219 where: bonds (distance) C4'-P energy: -128.132 bonds (distance) P-C4' energy: -123.870 flat angles C4'-P-C4' energy: -125.592 flat angles P-C4'-P energy: -84.494 tors. eta vs tors. theta energy: -169.164 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: 7 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1834.012774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.012774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.012774 (E_RNA) where: Base-Base interactions energy: -1288.348 where: short stacking energy: -565.803 Base-Backbone interact. energy: -1.836 local terms energy: -543.828922 where: bonds (distance) C4'-P energy: -95.553 bonds (distance) P-C4' energy: -103.723 flat angles C4'-P-C4' energy: -116.621 flat angles P-C4'-P energy: -76.750 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: 6, replica: 8 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1765.801142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.801142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.801142 (E_RNA) where: Base-Base interactions energy: -1210.478 where: short stacking energy: -520.436 Base-Backbone interact. energy: -0.476 local terms energy: -554.846875 where: bonds (distance) C4'-P energy: -87.218 bonds (distance) P-C4' energy: -108.071 flat angles C4'-P-C4' energy: -125.083 flat angles P-C4'-P energy: -84.362 tors. eta vs tors. theta energy: -150.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1710.523345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.523345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.523345 (E_RNA) where: Base-Base interactions energy: -1172.790 where: short stacking energy: -485.579 Base-Backbone interact. energy: -1.510 local terms energy: -536.222788 where: bonds (distance) C4'-P energy: -100.339 bonds (distance) P-C4' energy: -108.013 flat angles C4'-P-C4' energy: -116.746 flat angles P-C4'-P energy: -69.571 tors. eta vs tors. theta energy: -141.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1386.917843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.917843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.917843 (E_RNA) where: Base-Base interactions energy: -922.704 where: short stacking energy: -403.998 Base-Backbone interact. energy: 0.177 local terms energy: -464.390677 where: bonds (distance) C4'-P energy: -98.057 bonds (distance) P-C4' energy: -107.020 flat angles C4'-P-C4' energy: -99.092 flat angles P-C4'-P energy: -70.260 tors. eta vs tors. theta energy: -89.962 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: 348 Temperature: 1.300000 Total energy: -1246.844406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.844406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.844406 (E_RNA) where: Base-Base interactions energy: -790.038 where: short stacking energy: -375.225 Base-Backbone interact. energy: -2.758 local terms energy: -454.048845 where: bonds (distance) C4'-P energy: -86.933 bonds (distance) P-C4' energy: -95.570 flat angles C4'-P-C4' energy: -111.325 flat angles P-C4'-P energy: -69.737 tors. eta vs tors. theta energy: -90.483 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: 4 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -771.449267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.449267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.449267 (E_RNA) where: Base-Base interactions energy: -402.987 where: short stacking energy: -219.478 Base-Backbone interact. energy: -1.645 local terms energy: -366.817022 where: bonds (distance) C4'-P energy: -74.607 bonds (distance) P-C4' energy: -108.553 flat angles C4'-P-C4' energy: -110.329 flat angles P-C4'-P energy: -59.907 tors. eta vs tors. theta energy: -13.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2236.780475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.780475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.780475 (E_RNA) where: Base-Base interactions energy: -1549.598 where: short stacking energy: -662.716 Base-Backbone interact. energy: -1.214 local terms energy: -685.968617 where: bonds (distance) C4'-P energy: -120.090 bonds (distance) P-C4' energy: -140.049 flat angles C4'-P-C4' energy: -138.708 flat angles P-C4'-P energy: -99.451 tors. eta vs tors. theta energy: -187.669 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: 2 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2121.585286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.585286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.585286 (E_RNA) where: Base-Base interactions energy: -1471.204 where: short stacking energy: -632.458 Base-Backbone interact. energy: 3.483 local terms energy: -653.864437 where: bonds (distance) C4'-P energy: -124.836 bonds (distance) P-C4' energy: -128.350 flat angles C4'-P-C4' energy: -139.780 flat angles P-C4'-P energy: -84.855 tors. eta vs tors. theta energy: -176.044 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: 5 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2055.894544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.894544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.894544 (E_RNA) where: Base-Base interactions energy: -1444.439 where: short stacking energy: -591.367 Base-Backbone interact. energy: -4.876 local terms energy: -606.580299 where: bonds (distance) C4'-P energy: -121.281 bonds (distance) P-C4' energy: -125.691 flat angles C4'-P-C4' energy: -121.784 flat angles P-C4'-P energy: -68.596 tors. eta vs tors. theta energy: -169.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2024.398399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.398399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.398399 (E_RNA) where: Base-Base interactions energy: -1432.813 where: short stacking energy: -593.205 Base-Backbone interact. energy: -0.767 local terms energy: -590.818267 where: bonds (distance) C4'-P energy: -129.793 bonds (distance) P-C4' energy: -108.441 flat angles C4'-P-C4' energy: -122.159 flat angles P-C4'-P energy: -66.744 tors. eta vs tors. theta energy: -163.681 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: 7 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1854.932573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.932573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.932573 (E_RNA) where: Base-Base interactions energy: -1285.070 where: short stacking energy: -557.081 Base-Backbone interact. energy: -2.580 local terms energy: -567.282530 where: bonds (distance) C4'-P energy: -98.455 bonds (distance) P-C4' energy: -106.407 flat angles C4'-P-C4' energy: -138.273 flat angles P-C4'-P energy: -77.940 tors. eta vs tors. theta energy: -146.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1801.456801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.456801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.456801 (E_RNA) where: Base-Base interactions energy: -1210.372 where: short stacking energy: -535.662 Base-Backbone interact. energy: -2.642 local terms energy: -588.442403 where: bonds (distance) C4'-P energy: -105.594 bonds (distance) P-C4' energy: -129.609 flat angles C4'-P-C4' energy: -115.497 flat angles P-C4'-P energy: -80.410 tors. eta vs tors. theta energy: -157.333 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: 8 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1677.581397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.581397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.581397 (E_RNA) where: Base-Base interactions energy: -1104.987 where: short stacking energy: -496.970 Base-Backbone interact. energy: -2.791 local terms energy: -569.803364 where: bonds (distance) C4'-P energy: -105.112 bonds (distance) P-C4' energy: -113.887 flat angles C4'-P-C4' energy: -123.941 flat angles P-C4'-P energy: -82.514 tors. eta vs tors. theta energy: -144.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1360.768348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.768348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.768348 (E_RNA) where: Base-Base interactions energy: -895.500 where: short stacking energy: -409.546 Base-Backbone interact. energy: -1.570 local terms energy: -463.698009 where: bonds (distance) C4'-P energy: -96.958 bonds (distance) P-C4' energy: -103.028 flat angles C4'-P-C4' energy: -118.693 flat angles P-C4'-P energy: -55.384 tors. eta vs tors. theta energy: -89.636 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: 9 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1144.531343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.531343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.531343 (E_RNA) where: Base-Base interactions energy: -706.176 where: short stacking energy: -352.035 Base-Backbone interact. energy: -1.611 local terms energy: -436.744316 where: bonds (distance) C4'-P energy: -100.551 bonds (distance) P-C4' energy: -117.649 flat angles C4'-P-C4' energy: -100.084 flat angles P-C4'-P energy: -49.151 tors. eta vs tors. theta energy: -69.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -807.779888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.779888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.779888 (E_RNA) where: Base-Base interactions energy: -429.527 where: short stacking energy: -235.712 Base-Backbone interact. energy: -2.828 local terms energy: -375.424230 where: bonds (distance) C4'-P energy: -82.228 bonds (distance) P-C4' energy: -110.926 flat angles C4'-P-C4' energy: -89.505 flat angles P-C4'-P energy: -75.374 tors. eta vs tors. theta energy: -17.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2223.344467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.344467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.344467 (E_RNA) where: Base-Base interactions energy: -1562.693 where: short stacking energy: -652.525 Base-Backbone interact. energy: -1.652 local terms energy: -658.998799 where: bonds (distance) C4'-P energy: -105.109 bonds (distance) P-C4' energy: -129.090 flat angles C4'-P-C4' energy: -144.507 flat angles P-C4'-P energy: -88.425 tors. eta vs tors. theta energy: -191.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2107.546877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.546877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.546877 (E_RNA) where: Base-Base interactions energy: -1451.266 where: short stacking energy: -636.149 Base-Backbone interact. energy: -3.761 local terms energy: -652.518967 where: bonds (distance) C4'-P energy: -115.914 bonds (distance) P-C4' energy: -125.747 flat angles C4'-P-C4' energy: -140.090 flat angles P-C4'-P energy: -87.468 tors. eta vs tors. theta energy: -183.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2065.317732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.317732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.317732 (E_RNA) where: Base-Base interactions energy: -1451.808 where: short stacking energy: -618.924 Base-Backbone interact. energy: -4.992 local terms energy: -608.517198 where: bonds (distance) C4'-P energy: -100.439 bonds (distance) P-C4' energy: -120.683 flat angles C4'-P-C4' energy: -131.905 flat angles P-C4'-P energy: -80.874 tors. eta vs tors. theta energy: -174.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2026.956351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.956351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.956351 (E_RNA) where: Base-Base interactions energy: -1409.490 where: short stacking energy: -585.383 Base-Backbone interact. energy: -2.214 local terms energy: -615.252390 where: bonds (distance) C4'-P energy: -128.031 bonds (distance) P-C4' energy: -122.218 flat angles C4'-P-C4' energy: -122.320 flat angles P-C4'-P energy: -81.456 tors. eta vs tors. theta energy: -161.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1824.532151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.532151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.532151 (E_RNA) where: Base-Base interactions energy: -1220.614 where: short stacking energy: -524.047 Base-Backbone interact. energy: -1.077 local terms energy: -602.841623 where: bonds (distance) C4'-P energy: -112.578 bonds (distance) P-C4' energy: -109.430 flat angles C4'-P-C4' energy: -133.725 flat angles P-C4'-P energy: -95.545 tors. eta vs tors. theta energy: -151.563 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: 7 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1806.641199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.641199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.641199 (E_RNA) where: Base-Base interactions energy: -1228.296 where: short stacking energy: -527.982 Base-Backbone interact. energy: -3.137 local terms energy: -575.208711 where: bonds (distance) C4'-P energy: -105.515 bonds (distance) P-C4' energy: -110.979 flat angles C4'-P-C4' energy: -135.907 flat angles P-C4'-P energy: -72.968 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: 7, replica: 8 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1589.364379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.364379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.364379 (E_RNA) where: Base-Base interactions energy: -1058.516 where: short stacking energy: -470.577 Base-Backbone interact. energy: -2.411 local terms energy: -528.437681 where: bonds (distance) C4'-P energy: -104.614 bonds (distance) P-C4' energy: -112.586 flat angles C4'-P-C4' energy: -113.232 flat angles P-C4'-P energy: -78.690 tors. eta vs tors. theta energy: -119.315 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: 1 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1396.295174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.295174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.295174 (E_RNA) where: Base-Base interactions energy: -955.615 where: short stacking energy: -399.538 Base-Backbone interact. energy: -0.617 local terms energy: -440.062829 where: bonds (distance) C4'-P energy: -94.684 bonds (distance) P-C4' energy: -99.915 flat angles C4'-P-C4' energy: -104.574 flat angles P-C4'-P energy: -62.449 tors. eta vs tors. theta energy: -78.440 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: 9 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1123.694227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.694227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.694227 (E_RNA) where: Base-Base interactions energy: -727.338 where: short stacking energy: -329.704 Base-Backbone interact. energy: -0.845 local terms energy: -395.511539 where: bonds (distance) C4'-P energy: -90.703 bonds (distance) P-C4' energy: -107.744 flat angles C4'-P-C4' energy: -91.247 flat angles P-C4'-P energy: -53.995 tors. eta vs tors. theta energy: -51.822 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: 4 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -777.233313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.233313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.233313 (E_RNA) where: Base-Base interactions energy: -428.305 where: short stacking energy: -230.476 Base-Backbone interact. energy: -0.315 local terms energy: -348.612816 where: bonds (distance) C4'-P energy: -103.693 bonds (distance) P-C4' energy: -98.097 flat angles C4'-P-C4' energy: -83.447 flat angles P-C4'-P energy: -53.697 tors. eta vs tors. theta energy: -9.678 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: 10 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2212.773880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.773880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.773880 (E_RNA) where: Base-Base interactions energy: -1560.685 where: short stacking energy: -652.746 Base-Backbone interact. energy: 0.300 local terms energy: -652.389410 where: bonds (distance) C4'-P energy: -117.910 bonds (distance) P-C4' energy: -109.771 flat angles C4'-P-C4' energy: -141.858 flat angles P-C4'-P energy: -96.113 tors. eta vs tors. theta energy: -186.737 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: 2 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2131.877220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.877220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.877220 (E_RNA) where: Base-Base interactions energy: -1463.569 where: short stacking energy: -641.905 Base-Backbone interact. energy: -5.060 local terms energy: -663.248281 where: bonds (distance) C4'-P energy: -115.398 bonds (distance) P-C4' energy: -125.975 flat angles C4'-P-C4' energy: -138.371 flat angles P-C4'-P energy: -95.119 tors. eta vs tors. theta energy: -188.386 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: 5 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2057.236587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.236587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.236587 (E_RNA) where: Base-Base interactions energy: -1452.150 where: short stacking energy: -603.726 Base-Backbone interact. energy: -3.199 local terms energy: -601.888164 where: bonds (distance) C4'-P energy: -96.690 bonds (distance) P-C4' energy: -123.709 flat angles C4'-P-C4' energy: -126.823 flat angles P-C4'-P energy: -92.684 tors. eta vs tors. theta energy: -161.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2002.826474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.826474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.826474 (E_RNA) where: Base-Base interactions energy: -1392.126 where: short stacking energy: -602.820 Base-Backbone interact. energy: -4.472 local terms energy: -606.228761 where: bonds (distance) C4'-P energy: -102.429 bonds (distance) P-C4' energy: -120.174 flat angles C4'-P-C4' energy: -137.333 flat angles P-C4'-P energy: -70.119 tors. eta vs tors. theta energy: -176.174 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: 6 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1884.636831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.636831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.636831 (E_RNA) where: Base-Base interactions energy: -1292.950 where: short stacking energy: -585.807 Base-Backbone interact. energy: 0.106 local terms energy: -591.792839 where: bonds (distance) C4'-P energy: -103.415 bonds (distance) P-C4' energy: -118.790 flat angles C4'-P-C4' energy: -121.466 flat angles P-C4'-P energy: -82.326 tors. eta vs tors. theta energy: -165.796 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: 6, replica: 7 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1749.190473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.190473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.190473 (E_RNA) where: Base-Base interactions energy: -1214.358 where: short stacking energy: -544.386 Base-Backbone interact. energy: -0.381 local terms energy: -534.451542 where: bonds (distance) C4'-P energy: -104.065 bonds (distance) P-C4' energy: -89.867 flat angles C4'-P-C4' energy: -132.946 flat angles P-C4'-P energy: -70.461 tors. eta vs tors. theta energy: -137.113 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: 8 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1586.864825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.864825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.864825 (E_RNA) where: Base-Base interactions energy: -1082.471 where: short stacking energy: -473.318 Base-Backbone interact. energy: -2.031 local terms energy: -502.363070 where: bonds (distance) C4'-P energy: -98.196 bonds (distance) P-C4' energy: -112.895 flat angles C4'-P-C4' energy: -94.034 flat angles P-C4'-P energy: -82.337 tors. eta vs tors. theta energy: -114.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1432.136053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.136053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.136053 (E_RNA) where: Base-Base interactions energy: -943.825 where: short stacking energy: -416.024 Base-Backbone interact. energy: 1.164 local terms energy: -489.475209 where: bonds (distance) C4'-P energy: -105.549 bonds (distance) P-C4' energy: -104.965 flat angles C4'-P-C4' energy: -105.906 flat angles P-C4'-P energy: -75.763 tors. eta vs tors. theta energy: -97.293 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: 351 Temperature: 1.300000 Total energy: -1127.731394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.731394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.731394 (E_RNA) where: Base-Base interactions energy: -726.993 where: short stacking energy: -337.163 Base-Backbone interact. energy: -0.152 local terms energy: -400.585608 where: bonds (distance) C4'-P energy: -91.581 bonds (distance) P-C4' energy: -110.658 flat angles C4'-P-C4' energy: -93.366 flat angles P-C4'-P energy: -36.138 tors. eta vs tors. theta energy: -68.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -759.627696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.627696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.627696 (E_RNA) where: Base-Base interactions energy: -415.411 where: short stacking energy: -208.327 Base-Backbone interact. energy: 0.495 local terms energy: -344.712117 where: bonds (distance) C4'-P energy: -114.108 bonds (distance) P-C4' energy: -98.393 flat angles C4'-P-C4' energy: -81.820 flat angles P-C4'-P energy: -46.001 tors. eta vs tors. theta energy: -4.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2240.325704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.325704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.325704 (E_RNA) where: Base-Base interactions energy: -1561.099 where: short stacking energy: -658.449 Base-Backbone interact. energy: -2.261 local terms energy: -676.965458 where: bonds (distance) C4'-P energy: -124.942 bonds (distance) P-C4' energy: -126.834 flat angles C4'-P-C4' energy: -131.033 flat angles P-C4'-P energy: -106.523 tors. eta vs tors. theta energy: -187.634 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: 2, replica: 2 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2129.097718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.097718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.097718 (E_RNA) where: Base-Base interactions energy: -1465.772 where: short stacking energy: -632.676 Base-Backbone interact. energy: -1.220 local terms energy: -662.105353 where: bonds (distance) C4'-P energy: -119.196 bonds (distance) P-C4' energy: -125.354 flat angles C4'-P-C4' energy: -147.925 flat angles P-C4'-P energy: -86.117 tors. eta vs tors. theta energy: -183.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2066.848492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.848492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.848492 (E_RNA) where: Base-Base interactions energy: -1462.356 where: short stacking energy: -604.059 Base-Backbone interact. energy: -2.711 local terms energy: -601.781655 where: bonds (distance) C4'-P energy: -116.645 bonds (distance) P-C4' energy: -105.161 flat angles C4'-P-C4' energy: -130.649 flat angles P-C4'-P energy: -80.823 tors. eta vs tors. theta energy: -168.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2016.719100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.719100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.719100 (E_RNA) where: Base-Base interactions energy: -1419.202 where: short stacking energy: -604.456 Base-Backbone interact. energy: -1.011 local terms energy: -596.506115 where: bonds (distance) C4'-P energy: -107.409 bonds (distance) P-C4' energy: -102.111 flat angles C4'-P-C4' energy: -141.191 flat angles P-C4'-P energy: -78.020 tors. eta vs tors. theta energy: -167.775 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: 6 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1920.739013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.739013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.739013 (E_RNA) where: Base-Base interactions energy: -1323.257 where: short stacking energy: -580.733 Base-Backbone interact. energy: 0.971 local terms energy: -598.452970 where: bonds (distance) C4'-P energy: -92.516 bonds (distance) P-C4' energy: -103.736 flat angles C4'-P-C4' energy: -137.438 flat angles P-C4'-P energy: -94.678 tors. eta vs tors. theta energy: -170.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1732.274177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.274177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.274177 (E_RNA) where: Base-Base interactions energy: -1226.059 where: short stacking energy: -518.985 Base-Backbone interact. energy: 4.932 local terms energy: -511.146990 where: bonds (distance) C4'-P energy: -101.651 bonds (distance) P-C4' energy: -94.935 flat angles C4'-P-C4' energy: -119.877 flat angles P-C4'-P energy: -61.714 tors. eta vs tors. theta energy: -132.969 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: 7, replica: 8 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1579.904174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.904174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.904174 (E_RNA) where: Base-Base interactions energy: -1086.486 where: short stacking energy: -455.122 Base-Backbone interact. energy: 0.274 local terms energy: -493.692684 where: bonds (distance) C4'-P energy: -99.201 bonds (distance) P-C4' energy: -114.044 flat angles C4'-P-C4' energy: -103.800 flat angles P-C4'-P energy: -63.565 tors. eta vs tors. theta energy: -113.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1459.403462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.403462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.403462 (E_RNA) where: Base-Base interactions energy: -980.446 where: short stacking energy: -443.205 Base-Backbone interact. energy: 1.207 local terms energy: -480.165349 where: bonds (distance) C4'-P energy: -105.975 bonds (distance) P-C4' energy: -108.558 flat angles C4'-P-C4' energy: -99.347 flat angles P-C4'-P energy: -58.361 tors. eta vs tors. theta energy: -107.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1080.771456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.771456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.771456 (E_RNA) where: Base-Base interactions energy: -663.746 where: short stacking energy: -302.289 Base-Backbone interact. energy: -0.649 local terms energy: -416.375961 where: bonds (distance) C4'-P energy: -105.932 bonds (distance) P-C4' energy: -107.050 flat angles C4'-P-C4' energy: -99.350 flat angles P-C4'-P energy: -49.228 tors. eta vs tors. theta energy: -54.817 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: 10, replica: 4 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -820.259124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.259124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.259124 (E_RNA) where: Base-Base interactions energy: -445.677 where: short stacking energy: -232.243 Base-Backbone interact. energy: -1.906 local terms energy: -372.675999 where: bonds (distance) C4'-P energy: -104.358 bonds (distance) P-C4' energy: -96.383 flat angles C4'-P-C4' energy: -91.249 flat angles P-C4'-P energy: -54.308 tors. eta vs tors. theta energy: -26.378 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: 10 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2227.805316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.805316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.805316 (E_RNA) where: Base-Base interactions energy: -1536.643 where: short stacking energy: -646.404 Base-Backbone interact. energy: -1.802 local terms energy: -689.360480 where: bonds (distance) C4'-P energy: -123.643 bonds (distance) P-C4' energy: -134.836 flat angles C4'-P-C4' energy: -131.760 flat angles P-C4'-P energy: -99.451 tors. eta vs tors. theta energy: -199.671 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: 2 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2135.977851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.977851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.977851 (E_RNA) where: Base-Base interactions energy: -1463.001 where: short stacking energy: -650.754 Base-Backbone interact. energy: -0.993 local terms energy: -671.984180 where: bonds (distance) C4'-P energy: -124.851 bonds (distance) P-C4' energy: -133.072 flat angles C4'-P-C4' energy: -132.817 flat angles P-C4'-P energy: -94.082 tors. eta vs tors. theta energy: -187.162 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: 5 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2061.450167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.450167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.450167 (E_RNA) where: Base-Base interactions energy: -1448.854 where: short stacking energy: -603.293 Base-Backbone interact. energy: -4.608 local terms energy: -607.988977 where: bonds (distance) C4'-P energy: -112.611 bonds (distance) P-C4' energy: -114.392 flat angles C4'-P-C4' energy: -143.686 flat angles P-C4'-P energy: -78.055 tors. eta vs tors. theta energy: -159.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1986.961655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.961655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.961655 (E_RNA) where: Base-Base interactions energy: -1385.934 where: short stacking energy: -571.152 Base-Backbone interact. energy: -2.295 local terms energy: -598.732479 where: bonds (distance) C4'-P energy: -99.502 bonds (distance) P-C4' energy: -113.893 flat angles C4'-P-C4' energy: -136.241 flat angles P-C4'-P energy: -87.344 tors. eta vs tors. theta energy: -161.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1922.956526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.956526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.956526 (E_RNA) where: Base-Base interactions energy: -1324.375 where: short stacking energy: -580.572 Base-Backbone interact. energy: -1.690 local terms energy: -596.891544 where: bonds (distance) C4'-P energy: -100.816 bonds (distance) P-C4' energy: -112.813 flat angles C4'-P-C4' energy: -121.690 flat angles P-C4'-P energy: -90.369 tors. eta vs tors. theta energy: -171.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1703.464336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.464336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.464336 (E_RNA) where: Base-Base interactions energy: -1164.402 where: short stacking energy: -511.369 Base-Backbone interact. energy: -0.456 local terms energy: -538.607292 where: bonds (distance) C4'-P energy: -116.805 bonds (distance) P-C4' energy: -102.413 flat angles C4'-P-C4' energy: -121.138 flat angles P-C4'-P energy: -64.797 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: 8 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1655.123921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.123921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.123921 (E_RNA) where: Base-Base interactions energy: -1173.554 where: short stacking energy: -506.473 Base-Backbone interact. energy: -1.807 local terms energy: -479.763012 where: bonds (distance) C4'-P energy: -94.667 bonds (distance) P-C4' energy: -101.049 flat angles C4'-P-C4' energy: -105.488 flat angles P-C4'-P energy: -51.936 tors. eta vs tors. theta energy: -126.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1452.680370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.680370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.680370 (E_RNA) where: Base-Base interactions energy: -962.085 where: short stacking energy: -437.902 Base-Backbone interact. energy: -0.900 local terms energy: -489.695176 where: bonds (distance) C4'-P energy: -87.819 bonds (distance) P-C4' energy: -108.546 flat angles C4'-P-C4' energy: -118.566 flat angles P-C4'-P energy: -60.554 tors. eta vs tors. theta energy: -114.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1139.997354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.997354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.997354 (E_RNA) where: Base-Base interactions energy: -691.728 where: short stacking energy: -321.067 Base-Backbone interact. energy: -1.910 local terms energy: -446.358584 where: bonds (distance) C4'-P energy: -104.539 bonds (distance) P-C4' energy: -113.023 flat angles C4'-P-C4' energy: -116.251 flat angles P-C4'-P energy: -62.492 tors. eta vs tors. theta energy: -50.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -793.016826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.016826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.016826 (E_RNA) where: Base-Base interactions energy: -432.252 where: short stacking energy: -246.605 Base-Backbone interact. energy: -2.857 local terms energy: -357.907772 where: bonds (distance) C4'-P energy: -80.000 bonds (distance) P-C4' energy: -104.056 flat angles C4'-P-C4' energy: -94.425 flat angles P-C4'-P energy: -58.950 tors. eta vs tors. theta energy: -20.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2224.276462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.276462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.276462 (E_RNA) where: Base-Base interactions energy: -1573.748 where: short stacking energy: -664.118 Base-Backbone interact. energy: 0.845 local terms energy: -651.372690 where: bonds (distance) C4'-P energy: -124.932 bonds (distance) P-C4' energy: -116.098 flat angles C4'-P-C4' energy: -132.131 flat angles P-C4'-P energy: -91.378 tors. eta vs tors. theta energy: -186.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2124.529471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.529471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.529471 (E_RNA) where: Base-Base interactions energy: -1478.748 where: short stacking energy: -651.551 Base-Backbone interact. energy: 0.063 local terms energy: -645.844304 where: bonds (distance) C4'-P energy: -107.546 bonds (distance) P-C4' energy: -132.107 flat angles C4'-P-C4' energy: -123.601 flat angles P-C4'-P energy: -92.253 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: 3, replica: 5 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2046.087104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.087104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.087104 (E_RNA) where: Base-Base interactions energy: -1443.155 where: short stacking energy: -598.311 Base-Backbone interact. energy: -2.902 local terms energy: -600.030166 where: bonds (distance) C4'-P energy: -114.927 bonds (distance) P-C4' energy: -110.601 flat angles C4'-P-C4' energy: -129.398 flat angles P-C4'-P energy: -89.124 tors. eta vs tors. theta energy: -155.980 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: 4, replica: 3 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1977.897129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.897129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.897129 (E_RNA) where: Base-Base interactions energy: -1373.348 where: short stacking energy: -565.857 Base-Backbone interact. energy: 2.336 local terms energy: -606.884596 where: bonds (distance) C4'-P energy: -118.931 bonds (distance) P-C4' energy: -128.127 flat angles C4'-P-C4' energy: -122.829 flat angles P-C4'-P energy: -86.592 tors. eta vs tors. theta energy: -150.406 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: 354 Temperature: 1.100000 Total energy: -1896.177206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.177206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.177206 (E_RNA) where: Base-Base interactions energy: -1307.259 where: short stacking energy: -591.065 Base-Backbone interact. energy: -0.049 local terms energy: -588.869887 where: bonds (distance) C4'-P energy: -94.159 bonds (distance) P-C4' energy: -107.850 flat angles C4'-P-C4' energy: -138.931 flat angles P-C4'-P energy: -82.421 tors. eta vs tors. theta energy: -165.509 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: 7 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1670.699693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.699693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.699693 (E_RNA) where: Base-Base interactions energy: -1146.108 where: short stacking energy: -494.694 Base-Backbone interact. energy: -1.928 local terms energy: -522.663904 where: bonds (distance) C4'-P energy: -96.100 bonds (distance) P-C4' energy: -94.966 flat angles C4'-P-C4' energy: -112.557 flat angles P-C4'-P energy: -85.358 tors. eta vs tors. theta energy: -133.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1636.432499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.432499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.432499 (E_RNA) where: Base-Base interactions energy: -1146.516 where: short stacking energy: -484.716 Base-Backbone interact. energy: -0.948 local terms energy: -488.968725 where: bonds (distance) C4'-P energy: -86.753 bonds (distance) P-C4' energy: -111.469 flat angles C4'-P-C4' energy: -113.757 flat angles P-C4'-P energy: -55.955 tors. eta vs tors. theta energy: -121.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1370.372857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.372857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.372857 (E_RNA) where: Base-Base interactions energy: -907.630 where: short stacking energy: -400.881 Base-Backbone interact. energy: -1.485 local terms energy: -461.257882 where: bonds (distance) C4'-P energy: -100.594 bonds (distance) P-C4' energy: -96.972 flat angles C4'-P-C4' energy: -106.165 flat angles P-C4'-P energy: -67.158 tors. eta vs tors. theta energy: -90.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1208.759893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.759893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.759893 (E_RNA) where: Base-Base interactions energy: -759.344 where: short stacking energy: -343.513 Base-Backbone interact. energy: -1.733 local terms energy: -447.683058 where: bonds (distance) C4'-P energy: -100.379 bonds (distance) P-C4' energy: -90.206 flat angles C4'-P-C4' energy: -106.089 flat angles P-C4'-P energy: -77.713 tors. eta vs tors. theta energy: -73.296 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: 10, replica: 4 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -795.258823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.258823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.258823 (E_RNA) where: Base-Base interactions energy: -424.978 where: short stacking energy: -244.375 Base-Backbone interact. energy: -0.675 local terms energy: -369.605807 where: bonds (distance) C4'-P energy: -100.562 bonds (distance) P-C4' energy: -87.984 flat angles C4'-P-C4' energy: -96.008 flat angles P-C4'-P energy: -51.132 tors. eta vs tors. theta energy: -33.920 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: 10 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2256.792518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.792518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.792518 (E_RNA) where: Base-Base interactions energy: -1573.385 where: short stacking energy: -671.341 Base-Backbone interact. energy: -0.254 local terms energy: -683.152920 where: bonds (distance) C4'-P energy: -124.268 bonds (distance) P-C4' energy: -111.672 flat angles C4'-P-C4' energy: -146.713 flat angles P-C4'-P energy: -104.178 tors. eta vs tors. theta energy: -196.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2133.855053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.855053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.855053 (E_RNA) where: Base-Base interactions energy: -1490.714 where: short stacking energy: -651.151 Base-Backbone interact. energy: -1.862 local terms energy: -641.279015 where: bonds (distance) C4'-P energy: -108.209 bonds (distance) P-C4' energy: -124.216 flat angles C4'-P-C4' energy: -136.695 flat angles P-C4'-P energy: -77.252 tors. eta vs tors. theta energy: -194.906 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: 5 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2083.227135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.227135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.227135 (E_RNA) where: Base-Base interactions energy: -1477.719 where: short stacking energy: -619.359 Base-Backbone interact. energy: -0.686 local terms energy: -604.821920 where: bonds (distance) C4'-P energy: -114.864 bonds (distance) P-C4' energy: -112.257 flat angles C4'-P-C4' energy: -125.142 flat angles P-C4'-P energy: -88.466 tors. eta vs tors. theta energy: -164.093 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: 355 Temperature: 1.050000 Total energy: -1964.373182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.373182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.373182 (E_RNA) where: Base-Base interactions energy: -1370.243 where: short stacking energy: -567.715 Base-Backbone interact. energy: -1.175 local terms energy: -592.955142 where: bonds (distance) C4'-P energy: -109.343 bonds (distance) P-C4' energy: -112.096 flat angles C4'-P-C4' energy: -133.176 flat angles P-C4'-P energy: -85.932 tors. eta vs tors. theta energy: -152.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1905.999662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.999662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.999662 (E_RNA) where: Base-Base interactions energy: -1312.670 where: short stacking energy: -579.061 Base-Backbone interact. energy: -0.696 local terms energy: -592.633051 where: bonds (distance) C4'-P energy: -93.823 bonds (distance) P-C4' energy: -118.094 flat angles C4'-P-C4' energy: -128.719 flat angles P-C4'-P energy: -86.058 tors. eta vs tors. theta energy: -165.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1673.706906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.706906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.706906 (E_RNA) where: Base-Base interactions energy: -1146.213 where: short stacking energy: -516.506 Base-Backbone interact. energy: 3.545 local terms energy: -531.039684 where: bonds (distance) C4'-P energy: -106.609 bonds (distance) P-C4' energy: -99.062 flat angles C4'-P-C4' energy: -134.238 flat angles P-C4'-P energy: -61.849 tors. eta vs tors. theta energy: -129.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1595.466175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.466175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.466175 (E_RNA) where: Base-Base interactions energy: -1074.982 where: short stacking energy: -506.990 Base-Backbone interact. energy: -1.965 local terms energy: -518.519075 where: bonds (distance) C4'-P energy: -99.780 bonds (distance) P-C4' energy: -98.040 flat angles C4'-P-C4' energy: -120.693 flat angles P-C4'-P energy: -62.231 tors. eta vs tors. theta energy: -137.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1402.542967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.542967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.542967 (E_RNA) where: Base-Base interactions energy: -929.110 where: short stacking energy: -442.966 Base-Backbone interact. energy: 0.957 local terms energy: -474.389818 where: bonds (distance) C4'-P energy: -105.216 bonds (distance) P-C4' energy: -87.532 flat angles C4'-P-C4' energy: -114.856 flat angles P-C4'-P energy: -61.326 tors. eta vs tors. theta energy: -105.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1182.418766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.418766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.418766 (E_RNA) where: Base-Base interactions energy: -773.329 where: short stacking energy: -338.457 Base-Backbone interact. energy: 1.196 local terms energy: -410.284982 where: bonds (distance) C4'-P energy: -104.082 bonds (distance) P-C4' energy: -88.247 flat angles C4'-P-C4' energy: -109.534 flat angles P-C4'-P energy: -51.047 tors. eta vs tors. theta energy: -57.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -762.189969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.189969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.189969 (E_RNA) where: Base-Base interactions energy: -431.807 where: short stacking energy: -233.553 Base-Backbone interact. energy: 3.321 local terms energy: -333.703544 where: bonds (distance) C4'-P energy: -81.349 bonds (distance) P-C4' energy: -102.237 flat angles C4'-P-C4' energy: -79.866 flat angles P-C4'-P energy: -62.826 tors. eta vs tors. theta energy: -7.426 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: 10 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2237.806996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.806996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.806996 (E_RNA) where: Base-Base interactions energy: -1545.069 where: short stacking energy: -660.533 Base-Backbone interact. energy: -2.525 local terms energy: -690.212713 where: bonds (distance) C4'-P energy: -121.895 bonds (distance) P-C4' energy: -132.536 flat angles C4'-P-C4' energy: -148.447 flat angles P-C4'-P energy: -89.406 tors. eta vs tors. theta energy: -197.928 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: 2 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2162.129285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.129285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.129285 (E_RNA) where: Base-Base interactions energy: -1522.130 where: short stacking energy: -662.555 Base-Backbone interact. energy: -2.716 local terms energy: -637.283271 where: bonds (distance) C4'-P energy: -120.967 bonds (distance) P-C4' energy: -114.628 flat angles C4'-P-C4' energy: -136.662 flat angles P-C4'-P energy: -83.664 tors. eta vs tors. theta energy: -181.363 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: 5 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2093.090052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.090052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.090052 (E_RNA) where: Base-Base interactions energy: -1475.746 where: short stacking energy: -627.642 Base-Backbone interact. energy: -2.790 local terms energy: -614.554234 where: bonds (distance) C4'-P energy: -114.899 bonds (distance) P-C4' energy: -123.778 flat angles C4'-P-C4' energy: -124.937 flat angles P-C4'-P energy: -74.136 tors. eta vs tors. theta energy: -176.804 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: 4, replica: 3 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2049.515106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.515106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.515106 (E_RNA) where: Base-Base interactions energy: -1438.958 where: short stacking energy: -579.066 Base-Backbone interact. energy: -1.909 local terms energy: -608.647856 where: bonds (distance) C4'-P energy: -119.741 bonds (distance) P-C4' energy: -102.927 flat angles C4'-P-C4' energy: -136.296 flat angles P-C4'-P energy: -77.300 tors. eta vs tors. theta energy: -172.384 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: 5, replica: 6 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1895.608931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.608931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.608931 (E_RNA) where: Base-Base interactions energy: -1288.782 where: short stacking energy: -538.009 Base-Backbone interact. energy: 0.009 local terms energy: -606.836169 where: bonds (distance) C4'-P energy: -111.469 bonds (distance) P-C4' energy: -116.403 flat angles C4'-P-C4' energy: -131.860 flat angles P-C4'-P energy: -74.935 tors. eta vs tors. theta energy: -172.168 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: 7 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1699.955594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.955594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.955594 (E_RNA) where: Base-Base interactions energy: -1162.131 where: short stacking energy: -503.045 Base-Backbone interact. energy: -3.099 local terms energy: -534.725321 where: bonds (distance) C4'-P energy: -103.823 bonds (distance) P-C4' energy: -106.329 flat angles C4'-P-C4' energy: -123.008 flat angles P-C4'-P energy: -67.210 tors. eta vs tors. theta energy: -134.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1633.710394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.710394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.710394 (E_RNA) where: Base-Base interactions energy: -1128.811 where: short stacking energy: -460.733 Base-Backbone interact. energy: 1.710 local terms energy: -506.609961 where: bonds (distance) C4'-P energy: -100.333 bonds (distance) P-C4' energy: -90.437 flat angles C4'-P-C4' energy: -118.002 flat angles P-C4'-P energy: -72.462 tors. eta vs tors. theta energy: -125.375 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: 8, replica: 1 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1348.958000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.958000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.958000 (E_RNA) where: Base-Base interactions energy: -919.711 where: short stacking energy: -381.648 Base-Backbone interact. energy: 2.591 local terms energy: -431.838063 where: bonds (distance) C4'-P energy: -82.898 bonds (distance) P-C4' energy: -103.410 flat angles C4'-P-C4' energy: -98.839 flat angles P-C4'-P energy: -65.159 tors. eta vs tors. theta energy: -81.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1177.771956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.771956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.771956 (E_RNA) where: Base-Base interactions energy: -745.770 where: short stacking energy: -375.257 Base-Backbone interact. energy: -1.516 local terms energy: -430.485593 where: bonds (distance) C4'-P energy: -95.202 bonds (distance) P-C4' energy: -99.003 flat angles C4'-P-C4' energy: -95.982 flat angles P-C4'-P energy: -58.540 tors. eta vs tors. theta energy: -81.759 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: 4 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -804.831100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.831100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.831100 (E_RNA) where: Base-Base interactions energy: -460.077 where: short stacking energy: -270.193 Base-Backbone interact. energy: 4.550 local terms energy: -349.304885 where: bonds (distance) C4'-P energy: -112.018 bonds (distance) P-C4' energy: -75.883 flat angles C4'-P-C4' energy: -75.884 flat angles P-C4'-P energy: -52.587 tors. eta vs tors. theta energy: -32.933 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: 10 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2249.389399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.389399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.389399 (E_RNA) where: Base-Base interactions energy: -1568.935 where: short stacking energy: -668.132 Base-Backbone interact. energy: -0.998 local terms energy: -679.456420 where: bonds (distance) C4'-P energy: -107.130 bonds (distance) P-C4' energy: -130.722 flat angles C4'-P-C4' energy: -146.630 flat angles P-C4'-P energy: -96.232 tors. eta vs tors. theta energy: -198.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2144.275020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.275020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.275020 (E_RNA) where: Base-Base interactions energy: -1474.316 where: short stacking energy: -650.474 Base-Backbone interact. energy: -3.846 local terms energy: -666.112286 where: bonds (distance) C4'-P energy: -123.289 bonds (distance) P-C4' energy: -126.504 flat angles C4'-P-C4' energy: -142.060 flat angles P-C4'-P energy: -80.861 tors. eta vs tors. theta energy: -193.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2059.843839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.843839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.843839 (E_RNA) where: Base-Base interactions energy: -1461.151 where: short stacking energy: -621.942 Base-Backbone interact. energy: -0.751 local terms energy: -597.941221 where: bonds (distance) C4'-P energy: -92.987 bonds (distance) P-C4' energy: -110.504 flat angles C4'-P-C4' energy: -134.459 flat angles P-C4'-P energy: -87.927 tors. eta vs tors. theta energy: -172.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2003.025848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.025848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.025848 (E_RNA) where: Base-Base interactions energy: -1400.695 where: short stacking energy: -565.840 Base-Backbone interact. energy: -2.304 local terms energy: -600.026195 where: bonds (distance) C4'-P energy: -120.912 bonds (distance) P-C4' energy: -120.578 flat angles C4'-P-C4' energy: -131.782 flat angles P-C4'-P energy: -68.387 tors. eta vs tors. theta energy: -158.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1883.693239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.693239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.693239 (E_RNA) where: Base-Base interactions energy: -1319.324 where: short stacking energy: -575.062 Base-Backbone interact. energy: -2.545 local terms energy: -561.823870 where: bonds (distance) C4'-P energy: -107.946 bonds (distance) P-C4' energy: -92.232 flat angles C4'-P-C4' energy: -118.072 flat angles P-C4'-P energy: -83.527 tors. eta vs tors. theta energy: -160.048 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: 7 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1739.837170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.837170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.837170 (E_RNA) where: Base-Base interactions energy: -1201.087 where: short stacking energy: -522.329 Base-Backbone interact. energy: -0.530 local terms energy: -538.219501 where: bonds (distance) C4'-P energy: -104.646 bonds (distance) P-C4' energy: -106.374 flat angles C4'-P-C4' energy: -132.512 flat angles P-C4'-P energy: -79.661 tors. eta vs tors. theta energy: -115.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1596.334413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.334413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.334413 (E_RNA) where: Base-Base interactions energy: -1073.577 where: short stacking energy: -470.125 Base-Backbone interact. energy: -1.273 local terms energy: -521.485298 where: bonds (distance) C4'-P energy: -111.059 bonds (distance) P-C4' energy: -98.436 flat angles C4'-P-C4' energy: -117.226 flat angles P-C4'-P energy: -75.277 tors. eta vs tors. theta energy: -119.486 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: 8, replica: 1 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1365.162586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.162586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.162586 (E_RNA) where: Base-Base interactions energy: -913.247 where: short stacking energy: -411.179 Base-Backbone interact. energy: -0.985 local terms energy: -450.930971 where: bonds (distance) C4'-P energy: -102.651 bonds (distance) P-C4' energy: -108.810 flat angles C4'-P-C4' energy: -113.758 flat angles P-C4'-P energy: -46.689 tors. eta vs tors. theta energy: -79.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1157.841094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.841094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.841094 (E_RNA) where: Base-Base interactions energy: -735.509 where: short stacking energy: -348.135 Base-Backbone interact. energy: 5.267 local terms energy: -427.598881 where: bonds (distance) C4'-P energy: -92.266 bonds (distance) P-C4' energy: -103.098 flat angles C4'-P-C4' energy: -104.731 flat angles P-C4'-P energy: -74.915 tors. eta vs tors. theta energy: -52.589 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: 4 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -805.806671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.806671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.806671 (E_RNA) where: Base-Base interactions energy: -443.385 where: short stacking energy: -229.614 Base-Backbone interact. energy: -1.183 local terms energy: -361.238051 where: bonds (distance) C4'-P energy: -90.651 bonds (distance) P-C4' energy: -98.653 flat angles C4'-P-C4' energy: -86.854 flat angles P-C4'-P energy: -65.705 tors. eta vs tors. theta energy: -19.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2247.580157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.580157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.580157 (E_RNA) where: Base-Base interactions energy: -1563.513 where: short stacking energy: -678.427 Base-Backbone interact. energy: -1.453 local terms energy: -682.614524 where: bonds (distance) C4'-P energy: -114.789 bonds (distance) P-C4' energy: -128.781 flat angles C4'-P-C4' energy: -148.152 flat angles P-C4'-P energy: -95.773 tors. eta vs tors. theta energy: -195.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2113.388005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.388005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.388005 (E_RNA) where: Base-Base interactions energy: -1460.749 where: short stacking energy: -636.287 Base-Backbone interact. energy: -2.141 local terms energy: -650.497988 where: bonds (distance) C4'-P energy: -122.948 bonds (distance) P-C4' energy: -134.183 flat angles C4'-P-C4' energy: -135.855 flat angles P-C4'-P energy: -83.573 tors. eta vs tors. theta energy: -173.940 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: 5 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2025.602682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.602682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.602682 (E_RNA) where: Base-Base interactions energy: -1412.401 where: short stacking energy: -588.420 Base-Backbone interact. energy: 0.255 local terms energy: -613.456405 where: bonds (distance) C4'-P energy: -105.062 bonds (distance) P-C4' energy: -119.299 flat angles C4'-P-C4' energy: -135.867 flat angles P-C4'-P energy: -84.695 tors. eta vs tors. theta energy: -168.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2004.132066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.132066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.132066 (E_RNA) where: Base-Base interactions energy: -1400.468 where: short stacking energy: -572.494 Base-Backbone interact. energy: -0.302 local terms energy: -603.362673 where: bonds (distance) C4'-P energy: -97.678 bonds (distance) P-C4' energy: -109.761 flat angles C4'-P-C4' energy: -140.087 flat angles P-C4'-P energy: -90.891 tors. eta vs tors. theta energy: -164.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1888.126805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.126805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.126805 (E_RNA) where: Base-Base interactions energy: -1303.200 where: short stacking energy: -572.983 Base-Backbone interact. energy: -2.283 local terms energy: -582.644368 where: bonds (distance) C4'-P energy: -120.578 bonds (distance) P-C4' energy: -99.749 flat angles C4'-P-C4' energy: -125.565 flat angles P-C4'-P energy: -80.300 tors. eta vs tors. theta energy: -156.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1756.680475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.680475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.680475 (E_RNA) where: Base-Base interactions energy: -1221.369 where: short stacking energy: -527.719 Base-Backbone interact. energy: -0.560 local terms energy: -534.751290 where: bonds (distance) C4'-P energy: -97.506 bonds (distance) P-C4' energy: -119.115 flat angles C4'-P-C4' energy: -129.458 flat angles P-C4'-P energy: -65.547 tors. eta vs tors. theta energy: -123.126 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: 8 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1546.825291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.825291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.825291 (E_RNA) where: Base-Base interactions energy: -1031.616 where: short stacking energy: -440.546 Base-Backbone interact. energy: 4.132 local terms energy: -519.341063 where: bonds (distance) C4'-P energy: -94.164 bonds (distance) P-C4' energy: -119.022 flat angles C4'-P-C4' energy: -117.828 flat angles P-C4'-P energy: -73.559 tors. eta vs tors. theta energy: -114.768 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: 1 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1346.663878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.663878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.663878 (E_RNA) where: Base-Base interactions energy: -917.904 where: short stacking energy: -426.806 Base-Backbone interact. energy: 1.779 local terms energy: -430.539238 where: bonds (distance) C4'-P energy: -76.400 bonds (distance) P-C4' energy: -96.187 flat angles C4'-P-C4' energy: -81.475 flat angles P-C4'-P energy: -79.045 tors. eta vs tors. theta energy: -97.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1183.269948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.269948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.269948 (E_RNA) where: Base-Base interactions energy: -752.556 where: short stacking energy: -350.384 Base-Backbone interact. energy: 1.718 local terms energy: -432.431962 where: bonds (distance) C4'-P energy: -107.985 bonds (distance) P-C4' energy: -89.894 flat angles C4'-P-C4' energy: -101.467 flat angles P-C4'-P energy: -65.418 tors. eta vs tors. theta energy: -67.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -862.794634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.794634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.794634 (E_RNA) where: Base-Base interactions energy: -484.255 where: short stacking energy: -250.864 Base-Backbone interact. energy: 4.096 local terms energy: -382.636104 where: bonds (distance) C4'-P energy: -80.252 bonds (distance) P-C4' energy: -105.030 flat angles C4'-P-C4' energy: -106.174 flat angles P-C4'-P energy: -52.545 tors. eta vs tors. theta energy: -38.636 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: 10 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2232.018330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.018330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.018330 (E_RNA) where: Base-Base interactions energy: -1557.256 where: short stacking energy: -662.738 Base-Backbone interact. energy: 3.931 local terms energy: -678.693575 where: bonds (distance) C4'-P energy: -137.290 bonds (distance) P-C4' energy: -119.119 flat angles C4'-P-C4' energy: -136.697 flat angles P-C4'-P energy: -96.872 tors. eta vs tors. theta energy: -188.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2119.050328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.050328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.050328 (E_RNA) where: Base-Base interactions energy: -1465.460 where: short stacking energy: -625.730 Base-Backbone interact. energy: -1.941 local terms energy: -651.649247 where: bonds (distance) C4'-P energy: -120.089 bonds (distance) P-C4' energy: -120.359 flat angles C4'-P-C4' energy: -132.034 flat angles P-C4'-P energy: -93.632 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: 3, replica: 5 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2045.625248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.625248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.625248 (E_RNA) where: Base-Base interactions energy: -1434.906 where: short stacking energy: -607.426 Base-Backbone interact. energy: -0.598 local terms energy: -610.121242 where: bonds (distance) C4'-P energy: -109.596 bonds (distance) P-C4' energy: -117.376 flat angles C4'-P-C4' energy: -128.474 flat angles P-C4'-P energy: -98.544 tors. eta vs tors. theta energy: -156.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2017.703154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.703154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.703154 (E_RNA) where: Base-Base interactions energy: -1414.952 where: short stacking energy: -565.826 Base-Backbone interact. energy: -4.197 local terms energy: -598.553773 where: bonds (distance) C4'-P energy: -111.191 bonds (distance) P-C4' energy: -120.197 flat angles C4'-P-C4' energy: -133.011 flat angles P-C4'-P energy: -79.980 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: 6 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1841.108049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.108049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.108049 (E_RNA) where: Base-Base interactions energy: -1277.632 where: short stacking energy: -565.391 Base-Backbone interact. energy: -1.411 local terms energy: -562.064878 where: bonds (distance) C4'-P energy: -99.597 bonds (distance) P-C4' energy: -112.590 flat angles C4'-P-C4' energy: -113.476 flat angles P-C4'-P energy: -79.567 tors. eta vs tors. theta energy: -156.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1724.367458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.367458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.367458 (E_RNA) where: Base-Base interactions energy: -1205.660 where: short stacking energy: -510.414 Base-Backbone interact. energy: 0.518 local terms energy: -519.225281 where: bonds (distance) C4'-P energy: -98.152 bonds (distance) P-C4' energy: -99.816 flat angles C4'-P-C4' energy: -110.378 flat angles P-C4'-P energy: -85.539 tors. eta vs tors. theta energy: -125.339 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: 8 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1546.326101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.326101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.326101 (E_RNA) where: Base-Base interactions energy: -1020.570 where: short stacking energy: -456.287 Base-Backbone interact. energy: -2.236 local terms energy: -523.520426 where: bonds (distance) C4'-P energy: -99.462 bonds (distance) P-C4' energy: -105.154 flat angles C4'-P-C4' energy: -119.157 flat angles P-C4'-P energy: -88.476 tors. eta vs tors. theta energy: -111.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1178.692898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.692898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.692898 (E_RNA) where: Base-Base interactions energy: -721.218 where: short stacking energy: -356.678 Base-Backbone interact. energy: 0.837 local terms energy: -458.312207 where: bonds (distance) C4'-P energy: -93.703 bonds (distance) P-C4' energy: -93.038 flat angles C4'-P-C4' energy: -117.792 flat angles P-C4'-P energy: -67.048 tors. eta vs tors. theta energy: -86.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1263.765219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.765219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.765219 (E_RNA) where: Base-Base interactions energy: -834.921 where: short stacking energy: -377.192 Base-Backbone interact. energy: -0.261 local terms energy: -428.583292 where: bonds (distance) C4'-P energy: -105.012 bonds (distance) P-C4' energy: -94.468 flat angles C4'-P-C4' energy: -75.024 flat angles P-C4'-P energy: -80.508 tors. eta vs tors. theta energy: -73.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -870.320961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.320961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.320961 (E_RNA) where: Base-Base interactions energy: -508.880 where: short stacking energy: -235.248 Base-Backbone interact. energy: 0.780 local terms energy: -362.220330 where: bonds (distance) C4'-P energy: -87.488 bonds (distance) P-C4' energy: -110.164 flat angles C4'-P-C4' energy: -90.397 flat angles P-C4'-P energy: -48.111 tors. eta vs tors. theta energy: -26.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2248.877885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.877885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.877885 (E_RNA) where: Base-Base interactions energy: -1557.571 where: short stacking energy: -645.120 Base-Backbone interact. energy: -2.654 local terms energy: -688.652968 where: bonds (distance) C4'-P energy: -134.554 bonds (distance) P-C4' energy: -136.176 flat angles C4'-P-C4' energy: -134.138 flat angles P-C4'-P energy: -98.743 tors. eta vs tors. theta energy: -185.043 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: 360 Temperature: 0.950000 Total energy: -2125.340299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.340299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.340299 (E_RNA) where: Base-Base interactions energy: -1458.996 where: short stacking energy: -647.354 Base-Backbone interact. energy: -3.833 local terms energy: -662.511856 where: bonds (distance) C4'-P energy: -125.492 bonds (distance) P-C4' energy: -131.721 flat angles C4'-P-C4' energy: -138.831 flat angles P-C4'-P energy: -86.524 tors. eta vs tors. theta energy: -179.944 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: 3 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2081.774387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.774387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.774387 (E_RNA) where: Base-Base interactions energy: -1453.985 where: short stacking energy: -605.799 Base-Backbone interact. energy: 0.747 local terms energy: -628.535682 where: bonds (distance) C4'-P energy: -106.095 bonds (distance) P-C4' energy: -120.212 flat angles C4'-P-C4' energy: -136.022 flat angles P-C4'-P energy: -88.297 tors. eta vs tors. theta energy: -177.909 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: 5 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2004.798663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.798663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.798663 (E_RNA) where: Base-Base interactions energy: -1423.980 where: short stacking energy: -593.083 Base-Backbone interact. energy: 1.245 local terms energy: -582.064002 where: bonds (distance) C4'-P energy: -107.711 bonds (distance) P-C4' energy: -108.389 flat angles C4'-P-C4' energy: -129.559 flat angles P-C4'-P energy: -79.936 tors. eta vs tors. theta energy: -156.469 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: 7 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1845.559197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.559197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.559197 (E_RNA) where: Base-Base interactions energy: -1295.300 where: short stacking energy: -551.753 Base-Backbone interact. energy: -0.546 local terms energy: -549.713169 where: bonds (distance) C4'-P energy: -98.827 bonds (distance) P-C4' energy: -106.071 flat angles C4'-P-C4' energy: -129.120 flat angles P-C4'-P energy: -71.881 tors. eta vs tors. theta energy: -143.815 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: 6, replica: 6 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1805.816806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.816806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.816806 (E_RNA) where: Base-Base interactions energy: -1256.596 where: short stacking energy: -537.117 Base-Backbone interact. energy: 0.571 local terms energy: -549.791656 where: bonds (distance) C4'-P energy: -91.489 bonds (distance) P-C4' energy: -113.705 flat angles C4'-P-C4' energy: -125.046 flat angles P-C4'-P energy: -71.687 tors. eta vs tors. theta energy: -147.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1487.444097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.444097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.444097 (E_RNA) where: Base-Base interactions energy: -1008.239 where: short stacking energy: -437.066 Base-Backbone interact. energy: -2.736 local terms energy: -476.469041 where: bonds (distance) C4'-P energy: -98.008 bonds (distance) P-C4' energy: -96.017 flat angles C4'-P-C4' energy: -109.367 flat angles P-C4'-P energy: -65.530 tors. eta vs tors. theta energy: -107.548 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: 9 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1296.410112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.410112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.410112 (E_RNA) where: Base-Base interactions energy: -830.886 where: short stacking energy: -374.315 Base-Backbone interact. energy: 2.343 local terms energy: -467.867348 where: bonds (distance) C4'-P energy: -118.959 bonds (distance) P-C4' energy: -101.213 flat angles C4'-P-C4' energy: -102.049 flat angles P-C4'-P energy: -64.743 tors. eta vs tors. theta energy: -80.903 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: 9, replica: 1 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1318.754495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.754495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.754495 (E_RNA) where: Base-Base interactions energy: -852.724 where: short stacking energy: -390.824 Base-Backbone interact. energy: 2.628 local terms energy: -468.658365 where: bonds (distance) C4'-P energy: -96.293 bonds (distance) P-C4' energy: -113.088 flat angles C4'-P-C4' energy: -101.567 flat angles P-C4'-P energy: -72.388 tors. eta vs tors. theta energy: -85.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -928.610514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.610514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.610514 (E_RNA) where: Base-Base interactions energy: -584.197 where: short stacking energy: -276.949 Base-Backbone interact. energy: -2.624 local terms energy: -341.789615 where: bonds (distance) C4'-P energy: -84.881 bonds (distance) P-C4' energy: -63.829 flat angles C4'-P-C4' energy: -103.562 flat angles P-C4'-P energy: -58.839 tors. eta vs tors. theta energy: -30.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2238.102265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.102265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.102265 (E_RNA) where: Base-Base interactions energy: -1552.219 where: short stacking energy: -653.340 Base-Backbone interact. energy: -1.341 local terms energy: -684.542321 where: bonds (distance) C4'-P energy: -119.197 bonds (distance) P-C4' energy: -132.236 flat angles C4'-P-C4' energy: -140.539 flat angles P-C4'-P energy: -93.651 tors. eta vs tors. theta energy: -198.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2117.114506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.114506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.114506 (E_RNA) where: Base-Base interactions energy: -1455.458 where: short stacking energy: -620.777 Base-Backbone interact. energy: -1.690 local terms energy: -659.966383 where: bonds (distance) C4'-P energy: -126.951 bonds (distance) P-C4' energy: -116.618 flat angles C4'-P-C4' energy: -141.078 flat angles P-C4'-P energy: -95.051 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: 3, replica: 3 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2044.764912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.764912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.764912 (E_RNA) where: Base-Base interactions energy: -1424.580 where: short stacking energy: -586.080 Base-Backbone interact. energy: 0.626 local terms energy: -620.810911 where: bonds (distance) C4'-P energy: -108.919 bonds (distance) P-C4' energy: -127.078 flat angles C4'-P-C4' energy: -140.476 flat angles P-C4'-P energy: -78.329 tors. eta vs tors. theta energy: -166.008 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: 5 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1965.112572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.112572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.112572 (E_RNA) where: Base-Base interactions energy: -1399.290 where: short stacking energy: -562.281 Base-Backbone interact. energy: -5.335 local terms energy: -560.487532 where: bonds (distance) C4'-P energy: -102.382 bonds (distance) P-C4' energy: -104.930 flat angles C4'-P-C4' energy: -113.959 flat angles P-C4'-P energy: -76.219 tors. eta vs tors. theta energy: -162.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1866.629635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.629635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.629635 (E_RNA) where: Base-Base interactions energy: -1297.639 where: short stacking energy: -537.102 Base-Backbone interact. energy: -3.011 local terms energy: -565.979077 where: bonds (distance) C4'-P energy: -102.791 bonds (distance) P-C4' energy: -112.245 flat angles C4'-P-C4' energy: -125.159 flat angles P-C4'-P energy: -82.262 tors. eta vs tors. theta energy: -143.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1817.140840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.140840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.140840 (E_RNA) where: Base-Base interactions energy: -1236.489 where: short stacking energy: -553.342 Base-Backbone interact. energy: -3.664 local terms energy: -576.988014 where: bonds (distance) C4'-P energy: -110.163 bonds (distance) P-C4' energy: -106.704 flat angles C4'-P-C4' energy: -112.089 flat angles P-C4'-P energy: -91.839 tors. eta vs tors. theta energy: -156.192 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: 7, replica: 8 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1534.237849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.237849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.237849 (E_RNA) where: Base-Base interactions energy: -1032.870 where: short stacking energy: -454.670 Base-Backbone interact. energy: 2.016 local terms energy: -503.384433 where: bonds (distance) C4'-P energy: -110.903 bonds (distance) P-C4' energy: -94.827 flat angles C4'-P-C4' energy: -102.057 flat angles P-C4'-P energy: -72.493 tors. eta vs tors. theta energy: -123.105 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: 8, replica: 1 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1395.113345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.113345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.113345 (E_RNA) where: Base-Base interactions energy: -902.926 where: short stacking energy: -408.359 Base-Backbone interact. energy: -0.381 local terms energy: -491.806507 where: bonds (distance) C4'-P energy: -111.743 bonds (distance) P-C4' energy: -96.273 flat angles C4'-P-C4' energy: -111.448 flat angles P-C4'-P energy: -70.698 tors. eta vs tors. theta energy: -101.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1200.407471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.407471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.407471 (E_RNA) where: Base-Base interactions energy: -776.206 where: short stacking energy: -342.413 Base-Backbone interact. energy: -0.327 local terms energy: -423.874141 where: bonds (distance) C4'-P energy: -99.325 bonds (distance) P-C4' energy: -90.922 flat angles C4'-P-C4' energy: -103.761 flat angles P-C4'-P energy: -63.062 tors. eta vs tors. theta energy: -66.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -874.821886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.821886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.821886 (E_RNA) where: Base-Base interactions energy: -535.285 where: short stacking energy: -238.193 Base-Backbone interact. energy: 0.416 local terms energy: -339.952661 where: bonds (distance) C4'-P energy: -91.897 bonds (distance) P-C4' energy: -98.438 flat angles C4'-P-C4' energy: -92.760 flat angles P-C4'-P energy: -35.809 tors. eta vs tors. theta energy: -21.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2239.276522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.276522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.276522 (E_RNA) where: Base-Base interactions energy: -1575.295 where: short stacking energy: -652.905 Base-Backbone interact. energy: 0.989 local terms energy: -664.970878 where: bonds (distance) C4'-P energy: -108.662 bonds (distance) P-C4' energy: -125.061 flat angles C4'-P-C4' energy: -137.788 flat angles P-C4'-P energy: -99.214 tors. eta vs tors. theta energy: -194.245 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: 2 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2117.802116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.802116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.802116 (E_RNA) where: Base-Base interactions energy: -1461.237 where: short stacking energy: -638.614 Base-Backbone interact. energy: -3.677 local terms energy: -652.888073 where: bonds (distance) C4'-P energy: -122.985 bonds (distance) P-C4' energy: -120.882 flat angles C4'-P-C4' energy: -145.987 flat angles P-C4'-P energy: -85.493 tors. eta vs tors. theta energy: -177.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2024.977036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.977036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.977036 (E_RNA) where: Base-Base interactions energy: -1406.452 where: short stacking energy: -577.692 Base-Backbone interact. energy: -3.188 local terms energy: -615.337400 where: bonds (distance) C4'-P energy: -114.533 bonds (distance) P-C4' energy: -118.456 flat angles C4'-P-C4' energy: -129.287 flat angles P-C4'-P energy: -83.650 tors. eta vs tors. theta energy: -169.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1970.334623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.334623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.334623 (E_RNA) where: Base-Base interactions energy: -1390.862 where: short stacking energy: -564.814 Base-Backbone interact. energy: -3.165 local terms energy: -576.307296 where: bonds (distance) C4'-P energy: -120.018 bonds (distance) P-C4' energy: -119.818 flat angles C4'-P-C4' energy: -124.179 flat angles P-C4'-P energy: -66.092 tors. eta vs tors. theta energy: -146.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1863.135528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.135528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.135528 (E_RNA) where: Base-Base interactions energy: -1295.460 where: short stacking energy: -529.054 Base-Backbone interact. energy: 2.794 local terms energy: -570.469273 where: bonds (distance) C4'-P energy: -106.055 bonds (distance) P-C4' energy: -109.049 flat angles C4'-P-C4' energy: -121.273 flat angles P-C4'-P energy: -86.471 tors. eta vs tors. theta energy: -147.621 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: 6 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1804.743322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.743322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.743322 (E_RNA) where: Base-Base interactions energy: -1234.565 where: short stacking energy: -528.769 Base-Backbone interact. energy: -4.065 local terms energy: -566.113693 where: bonds (distance) C4'-P energy: -111.947 bonds (distance) P-C4' energy: -98.708 flat angles C4'-P-C4' energy: -118.373 flat angles P-C4'-P energy: -80.948 tors. eta vs tors. theta energy: -156.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1527.062963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.062963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.062963 (E_RNA) where: Base-Base interactions energy: -1045.718 where: short stacking energy: -443.984 Base-Backbone interact. energy: 1.554 local terms energy: -482.898483 where: bonds (distance) C4'-P energy: -93.638 bonds (distance) P-C4' energy: -107.363 flat angles C4'-P-C4' energy: -112.272 flat angles P-C4'-P energy: -63.631 tors. eta vs tors. theta energy: -105.994 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: 1 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1390.247414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.247414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.247414 (E_RNA) where: Base-Base interactions energy: -939.062 where: short stacking energy: -413.211 Base-Backbone interact. energy: 1.025 local terms energy: -452.210464 where: bonds (distance) C4'-P energy: -103.884 bonds (distance) P-C4' energy: -92.177 flat angles C4'-P-C4' energy: -99.656 flat angles P-C4'-P energy: -60.757 tors. eta vs tors. theta energy: -95.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1213.335804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.335804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.335804 (E_RNA) where: Base-Base interactions energy: -790.215 where: short stacking energy: -391.216 Base-Backbone interact. energy: 2.972 local terms energy: -426.091867 where: bonds (distance) C4'-P energy: -112.516 bonds (distance) P-C4' energy: -91.211 flat angles C4'-P-C4' energy: -96.887 flat angles P-C4'-P energy: -54.260 tors. eta vs tors. theta energy: -71.218 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: 4 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -870.789332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.789332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.789332 (E_RNA) where: Base-Base interactions energy: -522.801 where: short stacking energy: -256.797 Base-Backbone interact. energy: 5.540 local terms energy: -353.528478 where: bonds (distance) C4'-P energy: -97.144 bonds (distance) P-C4' energy: -93.336 flat angles C4'-P-C4' energy: -96.221 flat angles P-C4'-P energy: -46.762 tors. eta vs tors. theta energy: -20.066 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: 10 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2264.506854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.506854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.506854 (E_RNA) where: Base-Base interactions energy: -1597.488 where: short stacking energy: -680.989 Base-Backbone interact. energy: -1.775 local terms energy: -665.244253 where: bonds (distance) C4'-P energy: -122.744 bonds (distance) P-C4' energy: -116.935 flat angles C4'-P-C4' energy: -140.305 flat angles P-C4'-P energy: -93.591 tors. eta vs tors. theta energy: -191.670 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: 2, replica: 2 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2108.791198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.791198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.791198 (E_RNA) where: Base-Base interactions energy: -1468.162 where: short stacking energy: -646.632 Base-Backbone interact. energy: 1.024 local terms energy: -641.653259 where: bonds (distance) C4'-P energy: -110.632 bonds (distance) P-C4' energy: -122.470 flat angles C4'-P-C4' energy: -130.736 flat angles P-C4'-P energy: -92.993 tors. eta vs tors. theta energy: -184.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2008.648542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.648542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.648542 (E_RNA) where: Base-Base interactions energy: -1379.378 where: short stacking energy: -569.979 Base-Backbone interact. energy: 0.341 local terms energy: -629.611932 where: bonds (distance) C4'-P energy: -110.530 bonds (distance) P-C4' energy: -112.120 flat angles C4'-P-C4' energy: -134.670 flat angles P-C4'-P energy: -107.189 tors. eta vs tors. theta energy: -165.103 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: 5 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1970.607200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.607200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.607200 (E_RNA) where: Base-Base interactions energy: -1392.818 where: short stacking energy: -551.013 Base-Backbone interact. energy: -2.743 local terms energy: -575.046236 where: bonds (distance) C4'-P energy: -103.636 bonds (distance) P-C4' energy: -115.241 flat angles C4'-P-C4' energy: -134.456 flat angles P-C4'-P energy: -83.804 tors. eta vs tors. theta energy: -137.909 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: 5, replica: 7 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1889.434707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.434707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.434707 (E_RNA) where: Base-Base interactions energy: -1322.202 where: short stacking energy: -547.019 Base-Backbone interact. energy: -0.753 local terms energy: -566.479628 where: bonds (distance) C4'-P energy: -113.454 bonds (distance) P-C4' energy: -120.966 flat angles C4'-P-C4' energy: -108.060 flat angles P-C4'-P energy: -74.776 tors. eta vs tors. theta energy: -149.224 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: 6, replica: 6 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1836.688729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.688729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.688729 (E_RNA) where: Base-Base interactions energy: -1290.100 where: short stacking energy: -554.054 Base-Backbone interact. energy: -0.745 local terms energy: -545.843832 where: bonds (distance) C4'-P energy: -84.715 bonds (distance) P-C4' energy: -96.010 flat angles C4'-P-C4' energy: -121.357 flat angles P-C4'-P energy: -78.954 tors. eta vs tors. theta energy: -164.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1520.759278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.759278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.759278 (E_RNA) where: Base-Base interactions energy: -1062.362 where: short stacking energy: -467.807 Base-Backbone interact. energy: -1.012 local terms energy: -457.385104 where: bonds (distance) C4'-P energy: -101.446 bonds (distance) P-C4' energy: -99.767 flat angles C4'-P-C4' energy: -114.610 flat angles P-C4'-P energy: -52.041 tors. eta vs tors. theta energy: -89.521 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: 8, replica: 1 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1398.478410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.478410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.478410 (E_RNA) where: Base-Base interactions energy: -905.189 where: short stacking energy: -407.965 Base-Backbone interact. energy: 0.839 local terms energy: -494.128935 where: bonds (distance) C4'-P energy: -103.093 bonds (distance) P-C4' energy: -115.014 flat angles C4'-P-C4' energy: -106.225 flat angles P-C4'-P energy: -65.479 tors. eta vs tors. theta energy: -104.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1212.061436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.061436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.061436 (E_RNA) where: Base-Base interactions energy: -775.149 where: short stacking energy: -352.763 Base-Backbone interact. energy: -0.882 local terms energy: -436.030221 where: bonds (distance) C4'-P energy: -87.167 bonds (distance) P-C4' energy: -109.329 flat angles C4'-P-C4' energy: -106.740 flat angles P-C4'-P energy: -59.158 tors. eta vs tors. theta energy: -73.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -861.934356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.934356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.934356 (E_RNA) where: Base-Base interactions energy: -511.979 where: short stacking energy: -245.411 Base-Backbone interact. energy: -0.217 local terms energy: -349.737503 where: bonds (distance) C4'-P energy: -97.201 bonds (distance) P-C4' energy: -89.585 flat angles C4'-P-C4' energy: -88.336 flat angles P-C4'-P energy: -46.064 tors. eta vs tors. theta energy: -28.552 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: 10 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2252.919277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.919277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.919277 (E_RNA) where: Base-Base interactions energy: -1550.293 where: short stacking energy: -661.183 Base-Backbone interact. energy: -1.503 local terms energy: -701.123403 where: bonds (distance) C4'-P energy: -134.730 bonds (distance) P-C4' energy: -129.980 flat angles C4'-P-C4' energy: -144.684 flat angles P-C4'-P energy: -98.041 tors. eta vs tors. theta energy: -193.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2115.204025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.204025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.204025 (E_RNA) where: Base-Base interactions energy: -1458.985 where: short stacking energy: -637.697 Base-Backbone interact. energy: -1.685 local terms energy: -654.534024 where: bonds (distance) C4'-P energy: -116.400 bonds (distance) P-C4' energy: -133.066 flat angles C4'-P-C4' energy: -130.459 flat angles P-C4'-P energy: -97.473 tors. eta vs tors. theta energy: -177.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2071.029305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.029305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.029305 (E_RNA) where: Base-Base interactions energy: -1456.464 where: short stacking energy: -603.810 Base-Backbone interact. energy: -4.113 local terms energy: -610.452014 where: bonds (distance) C4'-P energy: -124.116 bonds (distance) P-C4' energy: -111.159 flat angles C4'-P-C4' energy: -137.092 flat angles P-C4'-P energy: -70.120 tors. eta vs tors. theta energy: -167.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1980.934121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.934121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.934121 (E_RNA) where: Base-Base interactions energy: -1390.795 where: short stacking energy: -577.790 Base-Backbone interact. energy: -1.095 local terms energy: -589.044409 where: bonds (distance) C4'-P energy: -109.235 bonds (distance) P-C4' energy: -113.559 flat angles C4'-P-C4' energy: -128.148 flat angles P-C4'-P energy: -83.700 tors. eta vs tors. theta energy: -154.402 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: 5, replica: 7 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1858.844835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.844835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.844835 (E_RNA) where: Base-Base interactions energy: -1304.892 where: short stacking energy: -546.747 Base-Backbone interact. energy: -0.314 local terms energy: -553.638720 where: bonds (distance) C4'-P energy: -115.415 bonds (distance) P-C4' energy: -99.987 flat angles C4'-P-C4' energy: -123.848 flat angles P-C4'-P energy: -73.771 tors. eta vs tors. theta energy: -140.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1828.812069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.812069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.812069 (E_RNA) where: Base-Base interactions energy: -1250.968 where: short stacking energy: -556.179 Base-Backbone interact. energy: 3.706 local terms energy: -581.549802 where: bonds (distance) C4'-P energy: -113.643 bonds (distance) P-C4' energy: -96.370 flat angles C4'-P-C4' energy: -129.162 flat angles P-C4'-P energy: -84.485 tors. eta vs tors. theta energy: -157.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1485.945822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.945822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.945822 (E_RNA) where: Base-Base interactions energy: -1008.847 where: short stacking energy: -452.589 Base-Backbone interact. energy: -2.112 local terms energy: -474.986990 where: bonds (distance) C4'-P energy: -96.546 bonds (distance) P-C4' energy: -102.433 flat angles C4'-P-C4' energy: -105.193 flat angles P-C4'-P energy: -62.179 tors. eta vs tors. theta energy: -108.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1412.156585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.156585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.156585 (E_RNA) where: Base-Base interactions energy: -964.733 where: short stacking energy: -422.467 Base-Backbone interact. energy: 0.578 local terms energy: -448.000900 where: bonds (distance) C4'-P energy: -95.959 bonds (distance) P-C4' energy: -92.999 flat angles C4'-P-C4' energy: -106.802 flat angles P-C4'-P energy: -57.196 tors. eta vs tors. theta energy: -95.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1194.838161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.838161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.838161 (E_RNA) where: Base-Base interactions energy: -764.603 where: short stacking energy: -332.963 Base-Backbone interact. energy: -2.686 local terms energy: -427.548939 where: bonds (distance) C4'-P energy: -89.757 bonds (distance) P-C4' energy: -94.749 flat angles C4'-P-C4' energy: -111.578 flat angles P-C4'-P energy: -78.841 tors. eta vs tors. theta energy: -52.625 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: 10, replica: 4 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -887.822664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.822664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.822664 (E_RNA) where: Base-Base interactions energy: -499.646 where: short stacking energy: -250.433 Base-Backbone interact. energy: 1.426 local terms energy: -389.601788 where: bonds (distance) C4'-P energy: -89.115 bonds (distance) P-C4' energy: -97.618 flat angles C4'-P-C4' energy: -111.305 flat angles P-C4'-P energy: -55.244 tors. eta vs tors. theta energy: -36.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2278.865520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.865520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.865520 (E_RNA) where: Base-Base interactions energy: -1571.600 where: short stacking energy: -651.845 Base-Backbone interact. energy: -0.557 local terms energy: -706.708668 where: bonds (distance) C4'-P energy: -122.746 bonds (distance) P-C4' energy: -130.660 flat angles C4'-P-C4' energy: -150.393 flat angles P-C4'-P energy: -105.909 tors. eta vs tors. theta energy: -197.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2073.317790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.317790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.317790 (E_RNA) where: Base-Base interactions energy: -1459.660 where: short stacking energy: -586.967 Base-Backbone interact. energy: -0.139 local terms energy: -613.518343 where: bonds (distance) C4'-P energy: -109.392 bonds (distance) P-C4' energy: -114.348 flat angles C4'-P-C4' energy: -136.131 flat angles P-C4'-P energy: -90.827 tors. eta vs tors. theta energy: -162.821 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: 2 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2042.442551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.442551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.442551 (E_RNA) where: Base-Base interactions energy: -1424.809 where: short stacking energy: -631.747 Base-Backbone interact. energy: -2.200 local terms energy: -615.433159 where: bonds (distance) C4'-P energy: -101.637 bonds (distance) P-C4' energy: -111.275 flat angles C4'-P-C4' energy: -131.236 flat angles P-C4'-P energy: -94.861 tors. eta vs tors. theta energy: -176.424 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: 5 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1985.491977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.491977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.491977 (E_RNA) where: Base-Base interactions energy: -1416.843 where: short stacking energy: -568.904 Base-Backbone interact. energy: -2.606 local terms energy: -566.042306 where: bonds (distance) C4'-P energy: -90.169 bonds (distance) P-C4' energy: -112.000 flat angles C4'-P-C4' energy: -119.923 flat angles P-C4'-P energy: -86.284 tors. eta vs tors. theta energy: -157.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1877.692716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.692716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.692716 (E_RNA) where: Base-Base interactions energy: -1308.890 where: short stacking energy: -535.013 Base-Backbone interact. energy: -1.339 local terms energy: -567.464342 where: bonds (distance) C4'-P energy: -102.512 bonds (distance) P-C4' energy: -118.108 flat angles C4'-P-C4' energy: -119.800 flat angles P-C4'-P energy: -82.085 tors. eta vs tors. theta energy: -144.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1806.769643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.769643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.769643 (E_RNA) where: Base-Base interactions energy: -1218.427 where: short stacking energy: -525.892 Base-Backbone interact. energy: -2.950 local terms energy: -585.392736 where: bonds (distance) C4'-P energy: -107.169 bonds (distance) P-C4' energy: -109.072 flat angles C4'-P-C4' energy: -135.439 flat angles P-C4'-P energy: -81.660 tors. eta vs tors. theta energy: -152.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1523.116046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.116046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.116046 (E_RNA) where: Base-Base interactions energy: -1016.378 where: short stacking energy: -458.711 Base-Backbone interact. energy: -0.285 local terms energy: -506.452537 where: bonds (distance) C4'-P energy: -97.050 bonds (distance) P-C4' energy: -111.916 flat angles C4'-P-C4' energy: -117.266 flat angles P-C4'-P energy: -68.049 tors. eta vs tors. theta energy: -112.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1459.115653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.115653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.115653 (E_RNA) where: Base-Base interactions energy: -961.105 where: short stacking energy: -430.756 Base-Backbone interact. energy: -0.903 local terms energy: -497.107644 where: bonds (distance) C4'-P energy: -97.801 bonds (distance) P-C4' energy: -111.781 flat angles C4'-P-C4' energy: -125.162 flat angles P-C4'-P energy: -73.118 tors. eta vs tors. theta energy: -89.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1216.142721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.142721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.142721 (E_RNA) where: Base-Base interactions energy: -794.640 where: short stacking energy: -344.816 Base-Backbone interact. energy: 1.300 local terms energy: -422.802568 where: bonds (distance) C4'-P energy: -105.548 bonds (distance) P-C4' energy: -97.062 flat angles C4'-P-C4' energy: -98.316 flat angles P-C4'-P energy: -69.034 tors. eta vs tors. theta energy: -52.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -928.921818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.921818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.921818 (E_RNA) where: Base-Base interactions energy: -554.859 where: short stacking energy: -268.337 Base-Backbone interact. energy: -0.545 local terms energy: -373.517604 where: bonds (distance) C4'-P energy: -95.586 bonds (distance) P-C4' energy: -104.682 flat angles C4'-P-C4' energy: -105.075 flat angles P-C4'-P energy: -37.578 tors. eta vs tors. theta energy: -30.598 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: 10 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2251.985900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.985900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.985900 (E_RNA) where: Base-Base interactions energy: -1593.393 where: short stacking energy: -686.529 Base-Backbone interact. energy: -1.593 local terms energy: -656.999767 where: bonds (distance) C4'-P energy: -120.253 bonds (distance) P-C4' energy: -112.157 flat angles C4'-P-C4' energy: -141.424 flat angles P-C4'-P energy: -88.085 tors. eta vs tors. theta energy: -195.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2104.914205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.914205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.914205 (E_RNA) where: Base-Base interactions energy: -1491.130 where: short stacking energy: -606.205 Base-Backbone interact. energy: 0.443 local terms energy: -614.226499 where: bonds (distance) C4'-P energy: -115.108 bonds (distance) P-C4' energy: -119.786 flat angles C4'-P-C4' energy: -138.253 flat angles P-C4'-P energy: -75.423 tors. eta vs tors. theta energy: -165.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2073.567263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.567263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.567263 (E_RNA) where: Base-Base interactions energy: -1437.170 where: short stacking energy: -601.366 Base-Backbone interact. energy: -4.214 local terms energy: -632.183203 where: bonds (distance) C4'-P energy: -122.361 bonds (distance) P-C4' energy: -116.531 flat angles C4'-P-C4' energy: -138.110 flat angles P-C4'-P energy: -88.132 tors. eta vs tors. theta energy: -167.050 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: 5 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2015.817706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.817706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.817706 (E_RNA) where: Base-Base interactions energy: -1416.383 where: short stacking energy: -584.950 Base-Backbone interact. energy: -2.369 local terms energy: -597.065565 where: bonds (distance) C4'-P energy: -114.112 bonds (distance) P-C4' energy: -109.755 flat angles C4'-P-C4' energy: -122.321 flat angles P-C4'-P energy: -82.745 tors. eta vs tors. theta energy: -168.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1879.438408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.438408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.438408 (E_RNA) where: Base-Base interactions energy: -1327.417 where: short stacking energy: -538.862 Base-Backbone interact. energy: -0.932 local terms energy: -551.089480 where: bonds (distance) C4'-P energy: -104.280 bonds (distance) P-C4' energy: -100.952 flat angles C4'-P-C4' energy: -122.925 flat angles P-C4'-P energy: -75.671 tors. eta vs tors. theta energy: -147.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1750.351670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.351670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.351670 (E_RNA) where: Base-Base interactions energy: -1187.531 where: short stacking energy: -544.037 Base-Backbone interact. energy: -0.995 local terms energy: -561.825863 where: bonds (distance) C4'-P energy: -109.100 bonds (distance) P-C4' energy: -91.159 flat angles C4'-P-C4' energy: -113.162 flat angles P-C4'-P energy: -80.986 tors. eta vs tors. theta energy: -167.420 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: 7, replica: 8 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1543.413123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.413123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.413123 (E_RNA) where: Base-Base interactions energy: -1027.472 where: short stacking energy: -461.081 Base-Backbone interact. energy: -3.417 local terms energy: -512.524202 where: bonds (distance) C4'-P energy: -97.329 bonds (distance) P-C4' energy: -116.713 flat angles C4'-P-C4' energy: -106.583 flat angles P-C4'-P energy: -82.447 tors. eta vs tors. theta energy: -109.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1464.254326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.254326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.254326 (E_RNA) where: Base-Base interactions energy: -1000.584 where: short stacking energy: -474.354 Base-Backbone interact. energy: 6.017 local terms energy: -469.688062 where: bonds (distance) C4'-P energy: -86.129 bonds (distance) P-C4' energy: -94.481 flat angles C4'-P-C4' energy: -120.205 flat angles P-C4'-P energy: -54.895 tors. eta vs tors. theta energy: -113.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1234.644339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.644339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.644339 (E_RNA) where: Base-Base interactions energy: -799.193 where: short stacking energy: -365.752 Base-Backbone interact. energy: 2.127 local terms energy: -437.577948 where: bonds (distance) C4'-P energy: -109.657 bonds (distance) P-C4' energy: -96.703 flat angles C4'-P-C4' energy: -93.871 flat angles P-C4'-P energy: -64.303 tors. eta vs tors. theta energy: -73.045 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: 4 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -907.765318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.765318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.765318 (E_RNA) where: Base-Base interactions energy: -523.649 where: short stacking energy: -289.669 Base-Backbone interact. energy: 6.245 local terms energy: -390.361931 where: bonds (distance) C4'-P energy: -77.746 bonds (distance) P-C4' energy: -113.493 flat angles C4'-P-C4' energy: -88.379 flat angles P-C4'-P energy: -52.449 tors. eta vs tors. theta energy: -58.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2237.712618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.712618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.712618 (E_RNA) where: Base-Base interactions energy: -1555.706 where: short stacking energy: -680.354 Base-Backbone interact. energy: -1.037 local terms energy: -680.970215 where: bonds (distance) C4'-P energy: -108.648 bonds (distance) P-C4' energy: -128.485 flat angles C4'-P-C4' energy: -135.061 flat angles P-C4'-P energy: -104.523 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: 2, replica: 3 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2132.913900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.913900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.913900 (E_RNA) where: Base-Base interactions energy: -1483.894 where: short stacking energy: -616.705 Base-Backbone interact. energy: -1.005 local terms energy: -648.015517 where: bonds (distance) C4'-P energy: -112.407 bonds (distance) P-C4' energy: -128.173 flat angles C4'-P-C4' energy: -139.495 flat angles P-C4'-P energy: -93.086 tors. eta vs tors. theta energy: -174.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2099.195453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.195453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.195453 (E_RNA) where: Base-Base interactions energy: -1459.411 where: short stacking energy: -653.681 Base-Backbone interact. energy: 0.027 local terms energy: -639.811451 where: bonds (distance) C4'-P energy: -105.133 bonds (distance) P-C4' energy: -125.167 flat angles C4'-P-C4' energy: -145.670 flat angles P-C4'-P energy: -76.004 tors. eta vs tors. theta energy: -187.838 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: 5 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1992.654077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.654077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.654077 (E_RNA) where: Base-Base interactions energy: -1425.911 where: short stacking energy: -591.739 Base-Backbone interact. energy: -3.978 local terms energy: -562.765311 where: bonds (distance) C4'-P energy: -108.977 bonds (distance) P-C4' energy: -118.310 flat angles C4'-P-C4' energy: -118.538 flat angles P-C4'-P energy: -81.947 tors. eta vs tors. theta energy: -134.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1881.947584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.947584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.947584 (E_RNA) where: Base-Base interactions energy: -1314.665 where: short stacking energy: -569.856 Base-Backbone interact. energy: -2.748 local terms energy: -564.534906 where: bonds (distance) C4'-P energy: -107.600 bonds (distance) P-C4' energy: -105.725 flat angles C4'-P-C4' energy: -114.540 flat angles P-C4'-P energy: -93.238 tors. eta vs tors. theta energy: -143.432 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: 6 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1762.955269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.955269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.955269 (E_RNA) where: Base-Base interactions energy: -1214.276 where: short stacking energy: -522.230 Base-Backbone interact. energy: -0.233 local terms energy: -548.446302 where: bonds (distance) C4'-P energy: -93.631 bonds (distance) P-C4' energy: -121.675 flat angles C4'-P-C4' energy: -123.988 flat angles P-C4'-P energy: -74.200 tors. eta vs tors. theta energy: -134.952 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: 8 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1508.581244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.581244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.581244 (E_RNA) where: Base-Base interactions energy: -997.048 where: short stacking energy: -436.564 Base-Backbone interact. energy: 0.695 local terms energy: -512.227807 where: bonds (distance) C4'-P energy: -98.619 bonds (distance) P-C4' energy: -117.100 flat angles C4'-P-C4' energy: -116.179 flat angles P-C4'-P energy: -87.625 tors. eta vs tors. theta energy: -92.705 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: 1 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1466.776327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.776327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.776327 (E_RNA) where: Base-Base interactions energy: -979.212 where: short stacking energy: -424.201 Base-Backbone interact. energy: -4.318 local terms energy: -483.246005 where: bonds (distance) C4'-P energy: -97.321 bonds (distance) P-C4' energy: -112.045 flat angles C4'-P-C4' energy: -122.448 flat angles P-C4'-P energy: -65.884 tors. eta vs tors. theta energy: -85.548 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: 9, replica: 9 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1257.475374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.475374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.475374 (E_RNA) where: Base-Base interactions energy: -816.181 where: short stacking energy: -366.839 Base-Backbone interact. energy: -0.881 local terms energy: -440.413716 where: bonds (distance) C4'-P energy: -95.457 bonds (distance) P-C4' energy: -103.211 flat angles C4'-P-C4' energy: -83.356 flat angles P-C4'-P energy: -65.083 tors. eta vs tors. theta energy: -93.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -880.623021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.623021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.623021 (E_RNA) where: Base-Base interactions energy: -492.428 where: short stacking energy: -281.692 Base-Backbone interact. energy: -1.115 local terms energy: -387.080216 where: bonds (distance) C4'-P energy: -93.016 bonds (distance) P-C4' energy: -107.427 flat angles C4'-P-C4' energy: -84.794 flat angles P-C4'-P energy: -57.695 tors. eta vs tors. theta energy: -44.149 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: 10 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2241.523560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.523560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.523560 (E_RNA) where: Base-Base interactions energy: -1590.023 where: short stacking energy: -675.741 Base-Backbone interact. energy: -2.656 local terms energy: -648.844653 where: bonds (distance) C4'-P energy: -119.013 bonds (distance) P-C4' energy: -109.501 flat angles C4'-P-C4' energy: -136.549 flat angles P-C4'-P energy: -84.072 tors. eta vs tors. theta energy: -199.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2107.516952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.516952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.516952 (E_RNA) where: Base-Base interactions energy: -1489.468 where: short stacking energy: -606.693 Base-Backbone interact. energy: -4.640 local terms energy: -613.408588 where: bonds (distance) C4'-P energy: -113.774 bonds (distance) P-C4' energy: -111.168 flat angles C4'-P-C4' energy: -135.230 flat angles P-C4'-P energy: -83.369 tors. eta vs tors. theta energy: -169.867 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: 368 Temperature: 1.000000 Total energy: -2089.403605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.403605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.403605 (E_RNA) where: Base-Base interactions energy: -1461.339 where: short stacking energy: -622.261 Base-Backbone interact. energy: -0.905 local terms energy: -627.160023 where: bonds (distance) C4'-P energy: -116.868 bonds (distance) P-C4' energy: -110.852 flat angles C4'-P-C4' energy: -144.525 flat angles P-C4'-P energy: -85.971 tors. eta vs tors. theta energy: -168.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1992.435666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.435666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.435666 (E_RNA) where: Base-Base interactions energy: -1390.335 where: short stacking energy: -577.163 Base-Backbone interact. energy: -3.055 local terms energy: -599.046111 where: bonds (distance) C4'-P energy: -113.455 bonds (distance) P-C4' energy: -114.688 flat angles C4'-P-C4' energy: -127.765 flat angles P-C4'-P energy: -85.311 tors. eta vs tors. theta energy: -157.828 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: 7 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1879.585112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.585112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.585112 (E_RNA) where: Base-Base interactions energy: -1275.079 where: short stacking energy: -536.825 Base-Backbone interact. energy: 0.151 local terms energy: -604.657433 where: bonds (distance) C4'-P energy: -117.524 bonds (distance) P-C4' energy: -108.964 flat angles C4'-P-C4' energy: -125.555 flat angles P-C4'-P energy: -93.243 tors. eta vs tors. theta energy: -159.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1765.213931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.213931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.213931 (E_RNA) where: Base-Base interactions energy: -1228.549 where: short stacking energy: -529.972 Base-Backbone interact. energy: -0.235 local terms energy: -536.430905 where: bonds (distance) C4'-P energy: -110.080 bonds (distance) P-C4' energy: -95.717 flat angles C4'-P-C4' energy: -117.476 flat angles P-C4'-P energy: -60.541 tors. eta vs tors. theta energy: -152.617 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: 8 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1470.908627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.908627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.908627 (E_RNA) where: Base-Base interactions energy: -986.226 where: short stacking energy: -436.407 Base-Backbone interact. energy: -0.621 local terms energy: -484.061416 where: bonds (distance) C4'-P energy: -102.222 bonds (distance) P-C4' energy: -114.652 flat angles C4'-P-C4' energy: -89.677 flat angles P-C4'-P energy: -86.926 tors. eta vs tors. theta energy: -90.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1410.032879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.032879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.032879 (E_RNA) where: Base-Base interactions energy: -918.605 where: short stacking energy: -420.455 Base-Backbone interact. energy: -2.445 local terms energy: -488.982403 where: bonds (distance) C4'-P energy: -93.582 bonds (distance) P-C4' energy: -84.317 flat angles C4'-P-C4' energy: -120.982 flat angles P-C4'-P energy: -81.173 tors. eta vs tors. theta energy: -108.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1329.575476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.575476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.575476 (E_RNA) where: Base-Base interactions energy: -854.633 where: short stacking energy: -388.498 Base-Backbone interact. energy: -1.675 local terms energy: -473.267987 where: bonds (distance) C4'-P energy: -92.707 bonds (distance) P-C4' energy: -106.824 flat angles C4'-P-C4' energy: -112.826 flat angles P-C4'-P energy: -65.589 tors. eta vs tors. theta energy: -95.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -910.317108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.317108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.317108 (E_RNA) where: Base-Base interactions energy: -530.216 where: short stacking energy: -275.630 Base-Backbone interact. energy: -2.678 local terms energy: -377.423058 where: bonds (distance) C4'-P energy: -103.349 bonds (distance) P-C4' energy: -78.412 flat angles C4'-P-C4' energy: -93.382 flat angles P-C4'-P energy: -66.050 tors. eta vs tors. theta energy: -36.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2251.950822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.950822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.950822 (E_RNA) where: Base-Base interactions energy: -1580.231 where: short stacking energy: -677.867 Base-Backbone interact. energy: -2.495 local terms energy: -669.224259 where: bonds (distance) C4'-P energy: -128.081 bonds (distance) P-C4' energy: -118.157 flat angles C4'-P-C4' energy: -140.887 flat angles P-C4'-P energy: -85.563 tors. eta vs tors. theta energy: -196.536 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: 2, replica: 3 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2124.345042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.345042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.345042 (E_RNA) where: Base-Base interactions energy: -1494.094 where: short stacking energy: -597.422 Base-Backbone interact. energy: -2.739 local terms energy: -627.512574 where: bonds (distance) C4'-P energy: -119.377 bonds (distance) P-C4' energy: -117.072 flat angles C4'-P-C4' energy: -137.315 flat angles P-C4'-P energy: -89.007 tors. eta vs tors. theta energy: -164.742 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: 369 Temperature: 1.000000 Total energy: -2103.850788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.850788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.850788 (E_RNA) where: Base-Base interactions energy: -1459.452 where: short stacking energy: -633.322 Base-Backbone interact. energy: -1.108 local terms energy: -643.290148 where: bonds (distance) C4'-P energy: -130.819 bonds (distance) P-C4' energy: -108.803 flat angles C4'-P-C4' energy: -142.845 flat angles P-C4'-P energy: -81.933 tors. eta vs tors. theta energy: -178.889 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: 4, replica: 7 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1949.181412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.181412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.181412 (E_RNA) where: Base-Base interactions energy: -1344.187 where: short stacking energy: -590.069 Base-Backbone interact. energy: -2.243 local terms energy: -602.752265 where: bonds (distance) C4'-P energy: -103.356 bonds (distance) P-C4' energy: -119.723 flat angles C4'-P-C4' energy: -122.575 flat angles P-C4'-P energy: -84.133 tors. eta vs tors. theta energy: -172.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1953.679930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.679930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.679930 (E_RNA) where: Base-Base interactions energy: -1383.173 where: short stacking energy: -576.530 Base-Backbone interact. energy: -2.933 local terms energy: -567.574029 where: bonds (distance) C4'-P energy: -99.840 bonds (distance) P-C4' energy: -107.721 flat angles C4'-P-C4' energy: -129.987 flat angles P-C4'-P energy: -77.934 tors. eta vs tors. theta energy: -152.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1769.508324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.508324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.508324 (E_RNA) where: Base-Base interactions energy: -1219.355 where: short stacking energy: -526.638 Base-Backbone interact. energy: -2.608 local terms energy: -547.545334 where: bonds (distance) C4'-P energy: -100.470 bonds (distance) P-C4' energy: -103.345 flat angles C4'-P-C4' energy: -121.243 flat angles P-C4'-P energy: -78.882 tors. eta vs tors. theta energy: -143.605 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: 8 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1547.248002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.248002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.248002 (E_RNA) where: Base-Base interactions energy: -1033.619 where: short stacking energy: -451.000 Base-Backbone interact. energy: -3.686 local terms energy: -509.943919 where: bonds (distance) C4'-P energy: -106.639 bonds (distance) P-C4' energy: -115.493 flat angles C4'-P-C4' energy: -96.409 flat angles P-C4'-P energy: -71.917 tors. eta vs tors. theta energy: -119.486 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: 8, replica: 1 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1472.142253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.142253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.142253 (E_RNA) where: Base-Base interactions energy: -962.080 where: short stacking energy: -408.894 Base-Backbone interact. energy: -1.979 local terms energy: -508.083440 where: bonds (distance) C4'-P energy: -105.957 bonds (distance) P-C4' energy: -117.841 flat angles C4'-P-C4' energy: -106.450 flat angles P-C4'-P energy: -64.316 tors. eta vs tors. theta energy: -113.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1279.846172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.846172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.846172 (E_RNA) where: Base-Base interactions energy: -828.699 where: short stacking energy: -381.413 Base-Backbone interact. energy: -1.761 local terms energy: -449.385298 where: bonds (distance) C4'-P energy: -104.287 bonds (distance) P-C4' energy: -106.215 flat angles C4'-P-C4' energy: -101.116 flat angles P-C4'-P energy: -59.186 tors. eta vs tors. theta energy: -78.581 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: 4 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -953.710222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.710222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.710222 (E_RNA) where: Base-Base interactions energy: -544.996 where: short stacking energy: -288.466 Base-Backbone interact. energy: 0.653 local terms energy: -409.367217 where: bonds (distance) C4'-P energy: -110.961 bonds (distance) P-C4' energy: -110.893 flat angles C4'-P-C4' energy: -103.478 flat angles P-C4'-P energy: -48.093 tors. eta vs tors. theta energy: -35.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2233.326222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.326222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.326222 (E_RNA) where: Base-Base interactions energy: -1547.303 where: short stacking energy: -645.859 Base-Backbone interact. energy: -3.101 local terms energy: -682.922126 where: bonds (distance) C4'-P energy: -119.867 bonds (distance) P-C4' energy: -124.296 flat angles C4'-P-C4' energy: -137.373 flat angles P-C4'-P energy: -110.998 tors. eta vs tors. theta energy: -190.388 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: 3 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2083.914030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.914030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.914030 (E_RNA) where: Base-Base interactions energy: -1469.856 where: short stacking energy: -602.429 Base-Backbone interact. energy: -1.644 local terms energy: -612.413692 where: bonds (distance) C4'-P energy: -106.964 bonds (distance) P-C4' energy: -114.735 flat angles C4'-P-C4' energy: -140.777 flat angles P-C4'-P energy: -85.938 tors. eta vs tors. theta energy: -164.000 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: 370 Temperature: 1.000000 Total energy: -2064.062452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.062452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.062452 (E_RNA) where: Base-Base interactions energy: -1430.939 where: short stacking energy: -644.383 Base-Backbone interact. energy: -0.434 local terms energy: -632.688854 where: bonds (distance) C4'-P energy: -117.818 bonds (distance) P-C4' energy: -110.457 flat angles C4'-P-C4' energy: -130.711 flat angles P-C4'-P energy: -91.434 tors. eta vs tors. theta energy: -182.269 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: 7 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1930.565867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.565867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.565867 (E_RNA) where: Base-Base interactions energy: -1338.273 where: short stacking energy: -601.158 Base-Backbone interact. energy: -0.024 local terms energy: -592.268326 where: bonds (distance) C4'-P energy: -103.769 bonds (distance) P-C4' energy: -111.054 flat angles C4'-P-C4' energy: -123.893 flat angles P-C4'-P energy: -86.116 tors. eta vs tors. theta energy: -167.436 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: 5 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1878.789841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.789841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.789841 (E_RNA) where: Base-Base interactions energy: -1316.793 where: short stacking energy: -550.593 Base-Backbone interact. energy: -2.154 local terms energy: -559.843025 where: bonds (distance) C4'-P energy: -107.111 bonds (distance) P-C4' energy: -103.924 flat angles C4'-P-C4' energy: -117.737 flat angles P-C4'-P energy: -83.759 tors. eta vs tors. theta energy: -147.312 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: 370 Temperature: 1.150000 Total energy: -1768.979075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.979075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.979075 (E_RNA) where: Base-Base interactions energy: -1196.875 where: short stacking energy: -538.421 Base-Backbone interact. energy: -2.744 local terms energy: -569.359745 where: bonds (distance) C4'-P energy: -105.757 bonds (distance) P-C4' energy: -112.739 flat angles C4'-P-C4' energy: -122.903 flat angles P-C4'-P energy: -83.738 tors. eta vs tors. theta energy: -144.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1538.436496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.436496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.436496 (E_RNA) where: Base-Base interactions energy: -1019.900 where: short stacking energy: -447.043 Base-Backbone interact. energy: 3.506 local terms energy: -522.042056 where: bonds (distance) C4'-P energy: -108.299 bonds (distance) P-C4' energy: -103.618 flat angles C4'-P-C4' energy: -114.458 flat angles P-C4'-P energy: -79.987 tors. eta vs tors. theta energy: -115.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1471.014319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.014319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.014319 (E_RNA) where: Base-Base interactions energy: -996.985 where: short stacking energy: -419.937 Base-Backbone interact. energy: -3.271 local terms energy: -470.758616 where: bonds (distance) C4'-P energy: -77.849 bonds (distance) P-C4' energy: -99.841 flat angles C4'-P-C4' energy: -126.098 flat angles P-C4'-P energy: -69.526 tors. eta vs tors. theta energy: -97.445 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: 9, replica: 9 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1269.790281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.790281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.790281 (E_RNA) where: Base-Base interactions energy: -847.285 where: short stacking energy: -388.350 Base-Backbone interact. energy: -1.074 local terms energy: -421.431700 where: bonds (distance) C4'-P energy: -75.692 bonds (distance) P-C4' energy: -108.176 flat angles C4'-P-C4' energy: -102.544 flat angles P-C4'-P energy: -59.251 tors. eta vs tors. theta energy: -75.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -901.398123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.398123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.398123 (E_RNA) where: Base-Base interactions energy: -552.225 where: short stacking energy: -268.565 Base-Backbone interact. energy: 1.093 local terms energy: -350.266338 where: bonds (distance) C4'-P energy: -90.343 bonds (distance) P-C4' energy: -93.775 flat angles C4'-P-C4' energy: -86.070 flat angles P-C4'-P energy: -43.122 tors. eta vs tors. theta energy: -36.957 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: 10 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2228.115530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.115530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.115530 (E_RNA) where: Base-Base interactions energy: -1553.744 where: short stacking energy: -657.690 Base-Backbone interact. energy: -2.593 local terms energy: -671.778500 where: bonds (distance) C4'-P energy: -123.581 bonds (distance) P-C4' energy: -127.478 flat angles C4'-P-C4' energy: -135.336 flat angles P-C4'-P energy: -97.566 tors. eta vs tors. theta energy: -187.817 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: 2 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2132.659326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.659326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.659326 (E_RNA) where: Base-Base interactions energy: -1495.553 where: short stacking energy: -640.894 Base-Backbone interact. energy: -2.279 local terms energy: -634.827898 where: bonds (distance) C4'-P energy: -120.168 bonds (distance) P-C4' energy: -118.215 flat angles C4'-P-C4' energy: -136.087 flat angles P-C4'-P energy: -79.516 tors. eta vs tors. theta energy: -180.842 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: 3 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2054.457176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.457176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.457176 (E_RNA) where: Base-Base interactions energy: -1426.079 where: short stacking energy: -611.246 Base-Backbone interact. energy: -0.661 local terms energy: -627.717838 where: bonds (distance) C4'-P energy: -107.900 bonds (distance) P-C4' energy: -111.537 flat angles C4'-P-C4' energy: -126.318 flat angles P-C4'-P energy: -99.444 tors. eta vs tors. theta energy: -182.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1966.501477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.501477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.501477 (E_RNA) where: Base-Base interactions energy: -1382.500 where: short stacking energy: -582.161 Base-Backbone interact. energy: -1.153 local terms energy: -582.849201 where: bonds (distance) C4'-P energy: -112.970 bonds (distance) P-C4' energy: -106.654 flat angles C4'-P-C4' energy: -130.477 flat angles P-C4'-P energy: -68.590 tors. eta vs tors. theta energy: -164.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1898.289644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.289644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.289644 (E_RNA) where: Base-Base interactions energy: -1343.319 where: short stacking energy: -539.971 Base-Backbone interact. energy: -3.462 local terms energy: -551.508625 where: bonds (distance) C4'-P energy: -122.291 bonds (distance) P-C4' energy: -97.827 flat angles C4'-P-C4' energy: -112.113 flat angles P-C4'-P energy: -83.746 tors. eta vs tors. theta energy: -135.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1842.611162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.611162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.611162 (E_RNA) where: Base-Base interactions energy: -1257.900 where: short stacking energy: -548.397 Base-Backbone interact. energy: -0.828 local terms energy: -583.883340 where: bonds (distance) C4'-P energy: -100.967 bonds (distance) P-C4' energy: -120.279 flat angles C4'-P-C4' energy: -117.832 flat angles P-C4'-P energy: -79.033 tors. eta vs tors. theta energy: -165.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1549.301791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.301791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.301791 (E_RNA) where: Base-Base interactions energy: -1022.943 where: short stacking energy: -469.877 Base-Backbone interact. energy: -1.472 local terms energy: -524.886094 where: bonds (distance) C4'-P energy: -103.838 bonds (distance) P-C4' energy: -105.642 flat angles C4'-P-C4' energy: -115.609 flat angles P-C4'-P energy: -71.901 tors. eta vs tors. theta energy: -127.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1435.263682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.263682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.263682 (E_RNA) where: Base-Base interactions energy: -982.660 where: short stacking energy: -419.576 Base-Backbone interact. energy: -1.586 local terms energy: -451.016891 where: bonds (distance) C4'-P energy: -82.267 bonds (distance) P-C4' energy: -109.294 flat angles C4'-P-C4' energy: -103.849 flat angles P-C4'-P energy: -63.622 tors. eta vs tors. theta energy: -91.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1258.505932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.505932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.505932 (E_RNA) where: Base-Base interactions energy: -831.102 where: short stacking energy: -378.900 Base-Backbone interact. energy: 2.223 local terms energy: -429.626536 where: bonds (distance) C4'-P energy: -78.327 bonds (distance) P-C4' energy: -90.616 flat angles C4'-P-C4' energy: -93.601 flat angles P-C4'-P energy: -76.216 tors. eta vs tors. theta energy: -90.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -888.160334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.160334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.160334 (E_RNA) where: Base-Base interactions energy: -483.696 where: short stacking energy: -225.820 Base-Backbone interact. energy: 0.197 local terms energy: -404.661216 where: bonds (distance) C4'-P energy: -110.034 bonds (distance) P-C4' energy: -100.293 flat angles C4'-P-C4' energy: -97.834 flat angles P-C4'-P energy: -60.142 tors. eta vs tors. theta energy: -36.359 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: 10 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2237.016974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.016974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.016974 (E_RNA) where: Base-Base interactions energy: -1567.064 where: short stacking energy: -657.382 Base-Backbone interact. energy: -2.418 local terms energy: -667.534556 where: bonds (distance) C4'-P energy: -128.833 bonds (distance) P-C4' energy: -124.487 flat angles C4'-P-C4' energy: -137.055 flat angles P-C4'-P energy: -87.117 tors. eta vs tors. theta energy: -190.043 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: 372 Temperature: 0.950000 Total energy: -2146.976887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.976887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.976887 (E_RNA) where: Base-Base interactions energy: -1505.210 where: short stacking energy: -643.144 Base-Backbone interact. energy: -2.066 local terms energy: -639.701476 where: bonds (distance) C4'-P energy: -111.375 bonds (distance) P-C4' energy: -115.913 flat angles C4'-P-C4' energy: -143.971 flat angles P-C4'-P energy: -81.131 tors. eta vs tors. theta energy: -187.311 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: 3, replica: 3 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2048.278854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.278854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.278854 (E_RNA) where: Base-Base interactions energy: -1425.516 where: short stacking energy: -594.166 Base-Backbone interact. energy: -1.433 local terms energy: -621.329955 where: bonds (distance) C4'-P energy: -123.523 bonds (distance) P-C4' energy: -117.325 flat angles C4'-P-C4' energy: -131.251 flat angles P-C4'-P energy: -79.543 tors. eta vs tors. theta energy: -169.689 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: 7 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1968.452058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.452058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.452058 (E_RNA) where: Base-Base interactions energy: -1379.836 where: short stacking energy: -600.724 Base-Backbone interact. energy: -2.863 local terms energy: -585.753055 where: bonds (distance) C4'-P energy: -106.288 bonds (distance) P-C4' energy: -107.746 flat angles C4'-P-C4' energy: -130.344 flat angles P-C4'-P energy: -63.417 tors. eta vs tors. theta energy: -177.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1894.475650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.475650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.475650 (E_RNA) where: Base-Base interactions energy: -1347.319 where: short stacking energy: -543.040 Base-Backbone interact. energy: 6.164 local terms energy: -553.320314 where: bonds (distance) C4'-P energy: -122.213 bonds (distance) P-C4' energy: -98.878 flat angles C4'-P-C4' energy: -109.619 flat angles P-C4'-P energy: -78.496 tors. eta vs tors. theta energy: -144.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1872.259333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.259333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.259333 (E_RNA) where: Base-Base interactions energy: -1308.392 where: short stacking energy: -559.201 Base-Backbone interact. energy: -0.033 local terms energy: -563.834266 where: bonds (distance) C4'-P energy: -99.261 bonds (distance) P-C4' energy: -93.535 flat angles C4'-P-C4' energy: -131.582 flat angles P-C4'-P energy: -76.145 tors. eta vs tors. theta energy: -163.312 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: 7, replica: 1 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1519.963910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.963910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.963910 (E_RNA) where: Base-Base interactions energy: -1005.427 where: short stacking energy: -463.782 Base-Backbone interact. energy: 1.416 local terms energy: -515.953412 where: bonds (distance) C4'-P energy: -90.321 bonds (distance) P-C4' energy: -130.791 flat angles C4'-P-C4' energy: -112.184 flat angles P-C4'-P energy: -68.447 tors. eta vs tors. theta energy: -114.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1380.012236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.012236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.012236 (E_RNA) where: Base-Base interactions energy: -932.081 where: short stacking energy: -400.829 Base-Backbone interact. energy: -1.495 local terms energy: -446.436771 where: bonds (distance) C4'-P energy: -84.695 bonds (distance) P-C4' energy: -98.781 flat angles C4'-P-C4' energy: -108.891 flat angles P-C4'-P energy: -73.962 tors. eta vs tors. theta energy: -80.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1242.564593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.564593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.564593 (E_RNA) where: Base-Base interactions energy: -805.554 where: short stacking energy: -365.556 Base-Backbone interact. energy: 1.364 local terms energy: -438.374244 where: bonds (distance) C4'-P energy: -81.129 bonds (distance) P-C4' energy: -103.325 flat angles C4'-P-C4' energy: -98.459 flat angles P-C4'-P energy: -57.427 tors. eta vs tors. theta energy: -98.034 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: 4 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -883.240519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.240519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.240519 (E_RNA) where: Base-Base interactions energy: -517.761 where: short stacking energy: -276.670 Base-Backbone interact. energy: -2.767 local terms energy: -362.712347 where: bonds (distance) C4'-P energy: -88.969 bonds (distance) P-C4' energy: -100.352 flat angles C4'-P-C4' energy: -82.935 flat angles P-C4'-P energy: -62.834 tors. eta vs tors. theta energy: -27.623 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: 10 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2228.153100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.153100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.153100 (E_RNA) where: Base-Base interactions energy: -1549.445 where: short stacking energy: -659.505 Base-Backbone interact. energy: -1.979 local terms energy: -676.728781 where: bonds (distance) C4'-P energy: -118.291 bonds (distance) P-C4' energy: -125.293 flat angles C4'-P-C4' energy: -137.711 flat angles P-C4'-P energy: -97.339 tors. eta vs tors. theta energy: -198.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2142.745359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.745359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.745359 (E_RNA) where: Base-Base interactions energy: -1515.933 where: short stacking energy: -660.364 Base-Backbone interact. energy: -3.161 local terms energy: -623.651219 where: bonds (distance) C4'-P energy: -111.598 bonds (distance) P-C4' energy: -112.345 flat angles C4'-P-C4' energy: -135.419 flat angles P-C4'-P energy: -77.195 tors. eta vs tors. theta energy: -187.095 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: 3, replica: 3 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2053.805153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.805153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.805153 (E_RNA) where: Base-Base interactions energy: -1425.529 where: short stacking energy: -616.711 Base-Backbone interact. energy: -3.079 local terms energy: -625.197324 where: bonds (distance) C4'-P energy: -109.410 bonds (distance) P-C4' energy: -119.126 flat angles C4'-P-C4' energy: -138.490 flat angles P-C4'-P energy: -85.493 tors. eta vs tors. theta energy: -172.678 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: 7 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1971.226494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.226494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.226494 (E_RNA) where: Base-Base interactions energy: -1392.652 where: short stacking energy: -585.342 Base-Backbone interact. energy: 1.674 local terms energy: -580.248517 where: bonds (distance) C4'-P energy: -95.613 bonds (distance) P-C4' energy: -110.124 flat angles C4'-P-C4' energy: -123.870 flat angles P-C4'-P energy: -81.253 tors. eta vs tors. theta energy: -169.390 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: 5, replica: 5 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1898.982758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.982758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.982758 (E_RNA) where: Base-Base interactions energy: -1327.222 where: short stacking energy: -550.041 Base-Backbone interact. energy: 1.798 local terms energy: -573.558588 where: bonds (distance) C4'-P energy: -110.545 bonds (distance) P-C4' energy: -110.204 flat angles C4'-P-C4' energy: -125.600 flat angles P-C4'-P energy: -85.746 tors. eta vs tors. theta energy: -141.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1849.717036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.717036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.717036 (E_RNA) where: Base-Base interactions energy: -1256.105 where: short stacking energy: -561.326 Base-Backbone interact. energy: -4.302 local terms energy: -589.309479 where: bonds (distance) C4'-P energy: -104.370 bonds (distance) P-C4' energy: -115.047 flat angles C4'-P-C4' energy: -130.141 flat angles P-C4'-P energy: -80.163 tors. eta vs tors. theta energy: -159.588 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: 1 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1473.205509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.205509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.205509 (E_RNA) where: Base-Base interactions energy: -984.645 where: short stacking energy: -439.349 Base-Backbone interact. energy: -0.847 local terms energy: -487.713568 where: bonds (distance) C4'-P energy: -91.872 bonds (distance) P-C4' energy: -100.263 flat angles C4'-P-C4' energy: -116.178 flat angles P-C4'-P energy: -62.882 tors. eta vs tors. theta energy: -116.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1448.582430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.582430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.582430 (E_RNA) where: Base-Base interactions energy: -954.142 where: short stacking energy: -427.072 Base-Backbone interact. energy: 0.266 local terms energy: -494.706476 where: bonds (distance) C4'-P energy: -105.994 bonds (distance) P-C4' energy: -96.300 flat angles C4'-P-C4' energy: -119.652 flat angles P-C4'-P energy: -58.973 tors. eta vs tors. theta energy: -113.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1335.602508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.602508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.602508 (E_RNA) where: Base-Base interactions energy: -868.532 where: short stacking energy: -380.755 Base-Backbone interact. energy: 0.976 local terms energy: -468.047128 where: bonds (distance) C4'-P energy: -106.181 bonds (distance) P-C4' energy: -121.163 flat angles C4'-P-C4' energy: -99.881 flat angles P-C4'-P energy: -56.846 tors. eta vs tors. theta energy: -83.976 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: 4 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -896.944722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.944722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.944722 (E_RNA) where: Base-Base interactions energy: -501.232 where: short stacking energy: -261.186 Base-Backbone interact. energy: -3.589 local terms energy: -392.123534 where: bonds (distance) C4'-P energy: -108.658 bonds (distance) P-C4' energy: -105.191 flat angles C4'-P-C4' energy: -91.299 flat angles P-C4'-P energy: -48.086 tors. eta vs tors. theta energy: -38.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2252.043714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.043714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.043714 (E_RNA) where: Base-Base interactions energy: -1558.926 where: short stacking energy: -663.045 Base-Backbone interact. energy: -0.538 local terms energy: -692.580045 where: bonds (distance) C4'-P energy: -117.793 bonds (distance) P-C4' energy: -115.011 flat angles C4'-P-C4' energy: -152.203 flat angles P-C4'-P energy: -109.074 tors. eta vs tors. theta energy: -198.499 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: 2, replica: 2 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2146.682246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.682246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.682246 (E_RNA) where: Base-Base interactions energy: -1496.115 where: short stacking energy: -662.890 Base-Backbone interact. energy: -3.534 local terms energy: -647.032926 where: bonds (distance) C4'-P energy: -125.468 bonds (distance) P-C4' energy: -119.809 flat angles C4'-P-C4' energy: -137.114 flat angles P-C4'-P energy: -78.381 tors. eta vs tors. theta energy: -186.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2089.958521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.958521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.958521 (E_RNA) where: Base-Base interactions energy: -1462.788 where: short stacking energy: -619.034 Base-Backbone interact. energy: -1.694 local terms energy: -625.476958 where: bonds (distance) C4'-P energy: -108.158 bonds (distance) P-C4' energy: -113.970 flat angles C4'-P-C4' energy: -137.603 flat angles P-C4'-P energy: -88.951 tors. eta vs tors. theta energy: -176.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2021.133926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.133926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.133926 (E_RNA) where: Base-Base interactions energy: -1389.787 where: short stacking energy: -609.040 Base-Backbone interact. energy: -3.273 local terms energy: -628.074629 where: bonds (distance) C4'-P energy: -120.346 bonds (distance) P-C4' energy: -118.115 flat angles C4'-P-C4' energy: -139.493 flat angles P-C4'-P energy: -68.593 tors. eta vs tors. theta energy: -181.528 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: 5 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1900.572098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.572098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.572098 (E_RNA) where: Base-Base interactions energy: -1332.749 where: short stacking energy: -570.765 Base-Backbone interact. energy: -1.980 local terms energy: -565.842893 where: bonds (distance) C4'-P energy: -102.776 bonds (distance) P-C4' energy: -104.653 flat angles C4'-P-C4' energy: -118.401 flat angles P-C4'-P energy: -83.884 tors. eta vs tors. theta energy: -156.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1762.536117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.536117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.536117 (E_RNA) where: Base-Base interactions energy: -1206.647 where: short stacking energy: -550.893 Base-Backbone interact. energy: 0.248 local terms energy: -556.137017 where: bonds (distance) C4'-P energy: -105.178 bonds (distance) P-C4' energy: -114.639 flat angles C4'-P-C4' energy: -108.345 flat angles P-C4'-P energy: -72.213 tors. eta vs tors. theta energy: -155.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1472.618966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.618966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.618966 (E_RNA) where: Base-Base interactions energy: -993.179 where: short stacking energy: -433.575 Base-Backbone interact. energy: -3.488 local terms energy: -475.952030 where: bonds (distance) C4'-P energy: -77.556 bonds (distance) P-C4' energy: -104.250 flat angles C4'-P-C4' energy: -110.820 flat angles P-C4'-P energy: -80.875 tors. eta vs tors. theta energy: -102.451 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: 1 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1415.053632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.053632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.053632 (E_RNA) where: Base-Base interactions energy: -967.996 where: short stacking energy: -435.802 Base-Backbone interact. energy: -0.785 local terms energy: -446.272624 where: bonds (distance) C4'-P energy: -71.303 bonds (distance) P-C4' energy: -118.055 flat angles C4'-P-C4' energy: -101.818 flat angles P-C4'-P energy: -56.167 tors. eta vs tors. theta energy: -98.930 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: 374 Temperature: 1.300000 Total energy: -1302.914956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.914956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.914956 (E_RNA) where: Base-Base interactions energy: -850.213 where: short stacking energy: -376.928 Base-Backbone interact. energy: -2.788 local terms energy: -449.913755 where: bonds (distance) C4'-P energy: -78.170 bonds (distance) P-C4' energy: -119.289 flat angles C4'-P-C4' energy: -100.769 flat angles P-C4'-P energy: -60.903 tors. eta vs tors. theta energy: -90.782 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: 4 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -849.918474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.918474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.918474 (E_RNA) where: Base-Base interactions energy: -485.635 where: short stacking energy: -254.346 Base-Backbone interact. energy: -1.004 local terms energy: -363.279172 where: bonds (distance) C4'-P energy: -85.339 bonds (distance) P-C4' energy: -75.775 flat angles C4'-P-C4' energy: -90.680 flat angles P-C4'-P energy: -78.464 tors. eta vs tors. theta energy: -33.021 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: 1, replica: 10 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2258.998991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.998991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.998991 (E_RNA) where: Base-Base interactions energy: -1563.184 where: short stacking energy: -665.798 Base-Backbone interact. energy: -1.547 local terms energy: -694.267938 where: bonds (distance) C4'-P energy: -134.120 bonds (distance) P-C4' energy: -123.333 flat angles C4'-P-C4' energy: -143.290 flat angles P-C4'-P energy: -96.388 tors. eta vs tors. theta energy: -197.136 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: 3 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2147.569128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.569128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.569128 (E_RNA) where: Base-Base interactions energy: -1482.551 where: short stacking energy: -630.807 Base-Backbone interact. energy: -2.311 local terms energy: -662.707034 where: bonds (distance) C4'-P energy: -131.443 bonds (distance) P-C4' energy: -125.268 flat angles C4'-P-C4' energy: -132.041 flat angles P-C4'-P energy: -99.096 tors. eta vs tors. theta energy: -174.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2104.061758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.061758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.061758 (E_RNA) where: Base-Base interactions energy: -1453.322 where: short stacking energy: -637.778 Base-Backbone interact. energy: -1.946 local terms energy: -648.793935 where: bonds (distance) C4'-P energy: -130.327 bonds (distance) P-C4' energy: -119.184 flat angles C4'-P-C4' energy: -130.077 flat angles P-C4'-P energy: -89.538 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: 4, replica: 7 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2004.384902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.384902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.384902 (E_RNA) where: Base-Base interactions energy: -1359.099 where: short stacking energy: -593.137 Base-Backbone interact. energy: -3.351 local terms energy: -641.934967 where: bonds (distance) C4'-P energy: -115.177 bonds (distance) P-C4' energy: -122.077 flat angles C4'-P-C4' energy: -138.421 flat angles P-C4'-P energy: -94.060 tors. eta vs tors. theta energy: -172.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1876.918645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.918645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.918645 (E_RNA) where: Base-Base interactions energy: -1314.035 where: short stacking energy: -546.251 Base-Backbone interact. energy: 0.541 local terms energy: -563.424909 where: bonds (distance) C4'-P energy: -99.599 bonds (distance) P-C4' energy: -106.219 flat angles C4'-P-C4' energy: -126.057 flat angles P-C4'-P energy: -80.344 tors. eta vs tors. theta energy: -151.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1796.981277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.981277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.981277 (E_RNA) where: Base-Base interactions energy: -1235.004 where: short stacking energy: -532.573 Base-Backbone interact. energy: 0.584 local terms energy: -562.560516 where: bonds (distance) C4'-P energy: -105.339 bonds (distance) P-C4' energy: -115.437 flat angles C4'-P-C4' energy: -120.058 flat angles P-C4'-P energy: -63.539 tors. eta vs tors. theta energy: -158.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1555.058773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.058773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.058773 (E_RNA) where: Base-Base interactions energy: -1014.910 where: short stacking energy: -472.531 Base-Backbone interact. energy: 0.104 local terms energy: -540.252607 where: bonds (distance) C4'-P energy: -107.569 bonds (distance) P-C4' energy: -96.359 flat angles C4'-P-C4' energy: -126.622 flat angles P-C4'-P energy: -79.216 tors. eta vs tors. theta energy: -130.486 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: 8, replica: 1 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1381.957359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.957359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.957359 (E_RNA) where: Base-Base interactions energy: -939.094 where: short stacking energy: -422.185 Base-Backbone interact. energy: -1.980 local terms energy: -440.883182 where: bonds (distance) C4'-P energy: -101.482 bonds (distance) P-C4' energy: -80.534 flat angles C4'-P-C4' energy: -98.246 flat angles P-C4'-P energy: -69.944 tors. eta vs tors. theta energy: -90.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1298.622290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.622290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.622290 (E_RNA) where: Base-Base interactions energy: -835.043 where: short stacking energy: -394.231 Base-Backbone interact. energy: -0.887 local terms energy: -462.692043 where: bonds (distance) C4'-P energy: -103.825 bonds (distance) P-C4' energy: -104.615 flat angles C4'-P-C4' energy: -96.060 flat angles P-C4'-P energy: -73.650 tors. eta vs tors. theta energy: -84.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -848.376256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.376256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.376256 (E_RNA) where: Base-Base interactions energy: -498.244 where: short stacking energy: -264.280 Base-Backbone interact. energy: -2.119 local terms energy: -348.013377 where: bonds (distance) C4'-P energy: -84.409 bonds (distance) P-C4' energy: -92.578 flat angles C4'-P-C4' energy: -97.796 flat angles P-C4'-P energy: -52.617 tors. eta vs tors. theta energy: -20.612 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: 10 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2249.084730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.084730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.084730 (E_RNA) where: Base-Base interactions energy: -1589.650 where: short stacking energy: -656.731 Base-Backbone interact. energy: -0.773 local terms energy: -658.661860 where: bonds (distance) C4'-P energy: -109.942 bonds (distance) P-C4' energy: -120.841 flat angles C4'-P-C4' energy: -144.225 flat angles P-C4'-P energy: -92.087 tors. eta vs tors. theta energy: -191.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2122.133845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.133845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.133845 (E_RNA) where: Base-Base interactions energy: -1482.482 where: short stacking energy: -610.288 Base-Backbone interact. energy: -2.484 local terms energy: -637.167997 where: bonds (distance) C4'-P energy: -104.169 bonds (distance) P-C4' energy: -120.354 flat angles C4'-P-C4' energy: -137.008 flat angles P-C4'-P energy: -99.506 tors. eta vs tors. theta energy: -176.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2093.592839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.592839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.592839 (E_RNA) where: Base-Base interactions energy: -1452.123 where: short stacking energy: -638.219 Base-Backbone interact. energy: -1.109 local terms energy: -640.361186 where: bonds (distance) C4'-P energy: -130.503 bonds (distance) P-C4' energy: -116.965 flat angles C4'-P-C4' energy: -127.216 flat angles P-C4'-P energy: -80.861 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: 4, replica: 2 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2028.226114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.226114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.226114 (E_RNA) where: Base-Base interactions energy: -1423.610 where: short stacking energy: -594.935 Base-Backbone interact. energy: -3.889 local terms energy: -600.726726 where: bonds (distance) C4'-P energy: -108.710 bonds (distance) P-C4' energy: -119.004 flat angles C4'-P-C4' energy: -121.671 flat angles P-C4'-P energy: -83.064 tors. eta vs tors. theta energy: -168.277 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: 376 Temperature: 1.100000 Total energy: -1885.171459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.171459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.171459 (E_RNA) where: Base-Base interactions energy: -1321.370 where: short stacking energy: -561.898 Base-Backbone interact. energy: -0.200 local terms energy: -563.601478 where: bonds (distance) C4'-P energy: -116.645 bonds (distance) P-C4' energy: -109.150 flat angles C4'-P-C4' energy: -101.116 flat angles P-C4'-P energy: -83.365 tors. eta vs tors. theta energy: -153.327 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: 6, replica: 6 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1743.052491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.052491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.052491 (E_RNA) where: Base-Base interactions energy: -1187.431 where: short stacking energy: -513.131 Base-Backbone interact. energy: 3.773 local terms energy: -559.394407 where: bonds (distance) C4'-P energy: -106.716 bonds (distance) P-C4' energy: -118.832 flat angles C4'-P-C4' energy: -115.594 flat angles P-C4'-P energy: -68.875 tors. eta vs tors. theta energy: -149.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1468.877843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.877843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.877843 (E_RNA) where: Base-Base interactions energy: -993.986 where: short stacking energy: -417.838 Base-Backbone interact. energy: -2.644 local terms energy: -472.247575 where: bonds (distance) C4'-P energy: -108.363 bonds (distance) P-C4' energy: -115.729 flat angles C4'-P-C4' energy: -104.001 flat angles P-C4'-P energy: -55.381 tors. eta vs tors. theta energy: -88.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1411.957841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.957841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.957841 (E_RNA) where: Base-Base interactions energy: -940.899 where: short stacking energy: -419.541 Base-Backbone interact. energy: -1.494 local terms energy: -469.564458 where: bonds (distance) C4'-P energy: -106.012 bonds (distance) P-C4' energy: -100.232 flat angles C4'-P-C4' energy: -101.528 flat angles P-C4'-P energy: -71.939 tors. eta vs tors. theta energy: -89.853 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: 9, replica: 9 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1223.279118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.279118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.279118 (E_RNA) where: Base-Base interactions energy: -782.471 where: short stacking energy: -340.461 Base-Backbone interact. energy: -3.582 local terms energy: -437.226017 where: bonds (distance) C4'-P energy: -85.486 bonds (distance) P-C4' energy: -104.672 flat angles C4'-P-C4' energy: -117.466 flat angles P-C4'-P energy: -68.962 tors. eta vs tors. theta energy: -60.640 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: 10, replica: 4 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -846.058563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.058563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.058563 (E_RNA) where: Base-Base interactions energy: -445.112 where: short stacking energy: -237.475 Base-Backbone interact. energy: -3.932 local terms energy: -397.014258 where: bonds (distance) C4'-P energy: -101.739 bonds (distance) P-C4' energy: -110.065 flat angles C4'-P-C4' energy: -94.645 flat angles P-C4'-P energy: -71.894 tors. eta vs tors. theta energy: -18.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2234.375666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.375666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.375666 (E_RNA) where: Base-Base interactions energy: -1570.650 where: short stacking energy: -646.607 Base-Backbone interact. energy: -0.875 local terms energy: -662.850593 where: bonds (distance) C4'-P energy: -117.983 bonds (distance) P-C4' energy: -123.197 flat angles C4'-P-C4' energy: -135.012 flat angles P-C4'-P energy: -95.340 tors. eta vs tors. theta energy: -191.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2165.773707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.773707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.773707 (E_RNA) where: Base-Base interactions energy: -1514.789 where: short stacking energy: -638.544 Base-Backbone interact. energy: -1.439 local terms energy: -649.545740 where: bonds (distance) C4'-P energy: -116.601 bonds (distance) P-C4' energy: -115.826 flat angles C4'-P-C4' energy: -142.638 flat angles P-C4'-P energy: -91.105 tors. eta vs tors. theta energy: -183.376 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: 7 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2059.659318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.659318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.659318 (E_RNA) where: Base-Base interactions energy: -1431.096 where: short stacking energy: -631.241 Base-Backbone interact. energy: -1.340 local terms energy: -627.223447 where: bonds (distance) C4'-P energy: -115.965 bonds (distance) P-C4' energy: -111.083 flat angles C4'-P-C4' energy: -137.814 flat angles P-C4'-P energy: -79.856 tors. eta vs tors. theta energy: -182.505 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: 2 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1996.065748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.065748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.065748 (E_RNA) where: Base-Base interactions energy: -1401.971 where: short stacking energy: -575.872 Base-Backbone interact. energy: -1.531 local terms energy: -592.563102 where: bonds (distance) C4'-P energy: -107.947 bonds (distance) P-C4' energy: -107.471 flat angles C4'-P-C4' energy: -139.878 flat angles P-C4'-P energy: -82.228 tors. eta vs tors. theta energy: -155.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1865.498706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.498706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.498706 (E_RNA) where: Base-Base interactions energy: -1293.934 where: short stacking energy: -563.109 Base-Backbone interact. energy: -3.355 local terms energy: -568.210468 where: bonds (distance) C4'-P energy: -106.450 bonds (distance) P-C4' energy: -115.019 flat angles C4'-P-C4' energy: -123.333 flat angles P-C4'-P energy: -74.554 tors. eta vs tors. theta energy: -148.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1819.378851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.378851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.378851 (E_RNA) where: Base-Base interactions energy: -1253.403 where: short stacking energy: -555.977 Base-Backbone interact. energy: 5.340 local terms energy: -571.315558 where: bonds (distance) C4'-P energy: -117.670 bonds (distance) P-C4' energy: -103.201 flat angles C4'-P-C4' energy: -119.006 flat angles P-C4'-P energy: -82.047 tors. eta vs tors. theta energy: -149.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1530.626882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.626882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.626882 (E_RNA) where: Base-Base interactions energy: -1024.321 where: short stacking energy: -452.903 Base-Backbone interact. energy: -1.382 local terms energy: -504.924558 where: bonds (distance) C4'-P energy: -92.311 bonds (distance) P-C4' energy: -101.105 flat angles C4'-P-C4' energy: -124.793 flat angles P-C4'-P energy: -79.732 tors. eta vs tors. theta energy: -106.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1441.119493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.119493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.119493 (E_RNA) where: Base-Base interactions energy: -941.655 where: short stacking energy: -416.253 Base-Backbone interact. energy: 5.950 local terms energy: -505.415020 where: bonds (distance) C4'-P energy: -118.649 bonds (distance) P-C4' energy: -103.629 flat angles C4'-P-C4' energy: -102.261 flat angles P-C4'-P energy: -75.354 tors. eta vs tors. theta energy: -105.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1173.648888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.648888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.648888 (E_RNA) where: Base-Base interactions energy: -725.344 where: short stacking energy: -329.705 Base-Backbone interact. energy: 5.453 local terms energy: -453.758125 where: bonds (distance) C4'-P energy: -107.251 bonds (distance) P-C4' energy: -97.192 flat angles C4'-P-C4' energy: -108.843 flat angles P-C4'-P energy: -66.379 tors. eta vs tors. theta energy: -74.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -838.059508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.059508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.059508 (E_RNA) where: Base-Base interactions energy: -519.860 where: short stacking energy: -252.688 Base-Backbone interact. energy: -2.342 local terms energy: -315.857848 where: bonds (distance) C4'-P energy: -80.341 bonds (distance) P-C4' energy: -90.255 flat angles C4'-P-C4' energy: -92.540 flat angles P-C4'-P energy: -40.925 tors. eta vs tors. theta energy: -11.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2221.741530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.741530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.741530 (E_RNA) where: Base-Base interactions energy: -1557.929 where: short stacking energy: -645.811 Base-Backbone interact. energy: -0.515 local terms energy: -663.297598 where: bonds (distance) C4'-P energy: -118.320 bonds (distance) P-C4' energy: -120.416 flat angles C4'-P-C4' energy: -138.013 flat angles P-C4'-P energy: -88.532 tors. eta vs tors. theta energy: -198.017 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: 2, replica: 3 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2119.209252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.209252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.209252 (E_RNA) where: Base-Base interactions energy: -1458.492 where: short stacking energy: -627.580 Base-Backbone interact. energy: -3.296 local terms energy: -657.420766 where: bonds (distance) C4'-P energy: -123.742 bonds (distance) P-C4' energy: -134.924 flat angles C4'-P-C4' energy: -137.439 flat angles P-C4'-P energy: -86.183 tors. eta vs tors. theta energy: -175.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2046.185382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.185382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.185382 (E_RNA) where: Base-Base interactions energy: -1397.768 where: short stacking energy: -611.543 Base-Backbone interact. energy: -0.776 local terms energy: -647.641336 where: bonds (distance) C4'-P energy: -114.830 bonds (distance) P-C4' energy: -114.037 flat angles C4'-P-C4' energy: -138.353 flat angles P-C4'-P energy: -92.296 tors. eta vs tors. theta energy: -188.126 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: 4, replica: 2 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1974.143817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.143817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.143817 (E_RNA) where: Base-Base interactions energy: -1359.048 where: short stacking energy: -579.333 Base-Backbone interact. energy: -3.090 local terms energy: -612.005875 where: bonds (distance) C4'-P energy: -108.379 bonds (distance) P-C4' energy: -116.726 flat angles C4'-P-C4' energy: -127.572 flat angles P-C4'-P energy: -82.840 tors. eta vs tors. theta energy: -176.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1870.567132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.567132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.567132 (E_RNA) where: Base-Base interactions energy: -1305.848 where: short stacking energy: -533.598 Base-Backbone interact. energy: -2.347 local terms energy: -562.372159 where: bonds (distance) C4'-P energy: -105.116 bonds (distance) P-C4' energy: -106.092 flat angles C4'-P-C4' energy: -124.770 flat angles P-C4'-P energy: -73.801 tors. eta vs tors. theta energy: -152.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1836.226551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.226551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.226551 (E_RNA) where: Base-Base interactions energy: -1267.562 where: short stacking energy: -564.643 Base-Backbone interact. energy: 0.288 local terms energy: -568.952703 where: bonds (distance) C4'-P energy: -106.569 bonds (distance) P-C4' energy: -112.036 flat angles C4'-P-C4' energy: -125.944 flat angles P-C4'-P energy: -67.656 tors. eta vs tors. theta energy: -156.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1524.776836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.776836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.776836 (E_RNA) where: Base-Base interactions energy: -1025.250 where: short stacking energy: -460.734 Base-Backbone interact. energy: -0.234 local terms energy: -499.293126 where: bonds (distance) C4'-P energy: -107.039 bonds (distance) P-C4' energy: -92.752 flat angles C4'-P-C4' energy: -109.857 flat angles P-C4'-P energy: -83.958 tors. eta vs tors. theta energy: -105.687 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: 1 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1387.428934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.428934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.428934 (E_RNA) where: Base-Base interactions energy: -907.403 where: short stacking energy: -421.325 Base-Backbone interact. energy: 3.963 local terms energy: -483.989437 where: bonds (distance) C4'-P energy: -90.207 bonds (distance) P-C4' energy: -112.362 flat angles C4'-P-C4' energy: -108.703 flat angles P-C4'-P energy: -71.570 tors. eta vs tors. theta energy: -101.147 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: 378 Temperature: 1.300000 Total energy: -1028.579855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.579855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.579855 (E_RNA) where: Base-Base interactions energy: -651.282 where: short stacking energy: -313.797 Base-Backbone interact. energy: 0.733 local terms energy: -378.030738 where: bonds (distance) C4'-P energy: -74.981 bonds (distance) P-C4' energy: -77.477 flat angles C4'-P-C4' energy: -118.095 flat angles P-C4'-P energy: -69.431 tors. eta vs tors. theta energy: -38.046 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: 4 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -841.119874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.119874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.119874 (E_RNA) where: Base-Base interactions energy: -496.304 where: short stacking energy: -266.696 Base-Backbone interact. energy: 1.213 local terms energy: -346.028768 where: bonds (distance) C4'-P energy: -82.459 bonds (distance) P-C4' energy: -96.461 flat angles C4'-P-C4' energy: -79.569 flat angles P-C4'-P energy: -52.184 tors. eta vs tors. theta energy: -35.355 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: 10 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2262.515467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.515467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.515467 (E_RNA) where: Base-Base interactions energy: -1600.902 where: short stacking energy: -673.353 Base-Backbone interact. energy: -3.778 local terms energy: -657.835421 where: bonds (distance) C4'-P energy: -118.894 bonds (distance) P-C4' energy: -117.886 flat angles C4'-P-C4' energy: -136.467 flat angles P-C4'-P energy: -95.351 tors. eta vs tors. theta energy: -189.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2155.573794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.573794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.573794 (E_RNA) where: Base-Base interactions energy: -1523.985 where: short stacking energy: -642.463 Base-Backbone interact. energy: -0.229 local terms energy: -631.359491 where: bonds (distance) C4'-P energy: -102.715 bonds (distance) P-C4' energy: -120.976 flat angles C4'-P-C4' energy: -143.832 flat angles P-C4'-P energy: -86.011 tors. eta vs tors. theta energy: -177.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2043.996667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.996667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.996667 (E_RNA) where: Base-Base interactions energy: -1414.536 where: short stacking energy: -606.129 Base-Backbone interact. energy: -2.402 local terms energy: -627.058595 where: bonds (distance) C4'-P energy: -121.334 bonds (distance) P-C4' energy: -116.908 flat angles C4'-P-C4' energy: -133.204 flat angles P-C4'-P energy: -90.272 tors. eta vs tors. theta energy: -165.341 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: 4, replica: 2 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2009.905574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.905574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.905574 (E_RNA) where: Base-Base interactions energy: -1379.601 where: short stacking energy: -609.731 Base-Backbone interact. energy: -1.781 local terms energy: -628.523086 where: bonds (distance) C4'-P energy: -123.472 bonds (distance) P-C4' energy: -113.591 flat angles C4'-P-C4' energy: -130.554 flat angles P-C4'-P energy: -88.962 tors. eta vs tors. theta energy: -171.944 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: 379 Temperature: 1.100000 Total energy: -1880.986800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.986800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.986800 (E_RNA) where: Base-Base interactions energy: -1303.009 where: short stacking energy: -550.441 Base-Backbone interact. energy: 0.180 local terms energy: -578.158258 where: bonds (distance) C4'-P energy: -131.563 bonds (distance) P-C4' energy: -96.167 flat angles C4'-P-C4' energy: -112.243 flat angles P-C4'-P energy: -83.341 tors. eta vs tors. theta energy: -154.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1825.998771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.998771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.998771 (E_RNA) where: Base-Base interactions energy: -1259.958 where: short stacking energy: -536.596 Base-Backbone interact. energy: -4.968 local terms energy: -561.072867 where: bonds (distance) C4'-P energy: -111.223 bonds (distance) P-C4' energy: -96.925 flat angles C4'-P-C4' energy: -126.963 flat angles P-C4'-P energy: -73.435 tors. eta vs tors. theta energy: -152.526 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: 8 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1553.929595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.929595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.929595 (E_RNA) where: Base-Base interactions energy: -1023.036 where: short stacking energy: -464.068 Base-Backbone interact. energy: -0.323 local terms energy: -530.571012 where: bonds (distance) C4'-P energy: -113.417 bonds (distance) P-C4' energy: -118.333 flat angles C4'-P-C4' energy: -119.003 flat angles P-C4'-P energy: -61.201 tors. eta vs tors. theta energy: -118.616 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: 1 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1415.841475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.841475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.841475 (E_RNA) where: Base-Base interactions energy: -926.243 where: short stacking energy: -407.376 Base-Backbone interact. energy: -0.667 local terms energy: -488.931381 where: bonds (distance) C4'-P energy: -111.158 bonds (distance) P-C4' energy: -117.610 flat angles C4'-P-C4' energy: -108.481 flat angles P-C4'-P energy: -65.838 tors. eta vs tors. theta energy: -85.845 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: 9, replica: 9 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1040.705693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.705693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.705693 (E_RNA) where: Base-Base interactions energy: -647.062 where: short stacking energy: -311.790 Base-Backbone interact. energy: -0.593 local terms energy: -393.050666 where: bonds (distance) C4'-P energy: -95.811 bonds (distance) P-C4' energy: -104.381 flat angles C4'-P-C4' energy: -99.298 flat angles P-C4'-P energy: -62.775 tors. eta vs tors. theta energy: -30.786 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: 4 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -847.512032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.512032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.512032 (E_RNA) where: Base-Base interactions energy: -464.814 where: short stacking energy: -239.252 Base-Backbone interact. energy: 3.400 local terms energy: -386.098452 where: bonds (distance) C4'-P energy: -101.080 bonds (distance) P-C4' energy: -125.250 flat angles C4'-P-C4' energy: -66.659 flat angles P-C4'-P energy: -66.520 tors. eta vs tors. theta energy: -26.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2257.812364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.812364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.812364 (E_RNA) where: Base-Base interactions energy: -1569.202 where: short stacking energy: -655.127 Base-Backbone interact. energy: -1.441 local terms energy: -687.170030 where: bonds (distance) C4'-P energy: -118.269 bonds (distance) P-C4' energy: -130.163 flat angles C4'-P-C4' energy: -145.223 flat angles P-C4'-P energy: -99.150 tors. eta vs tors. theta energy: -194.366 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: 2, replica: 3 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2130.581272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.581272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.581272 (E_RNA) where: Base-Base interactions energy: -1514.368 where: short stacking energy: -634.853 Base-Backbone interact. energy: 0.615 local terms energy: -616.827701 where: bonds (distance) C4'-P energy: -124.489 bonds (distance) P-C4' energy: -111.206 flat angles C4'-P-C4' energy: -129.451 flat angles P-C4'-P energy: -83.640 tors. eta vs tors. theta energy: -168.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2060.481357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.481357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.481357 (E_RNA) where: Base-Base interactions energy: -1427.684 where: short stacking energy: -609.417 Base-Backbone interact. energy: -2.305 local terms energy: -630.491890 where: bonds (distance) C4'-P energy: -112.551 bonds (distance) P-C4' energy: -110.676 flat angles C4'-P-C4' energy: -134.123 flat angles P-C4'-P energy: -85.185 tors. eta vs tors. theta energy: -187.956 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: 2 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2041.769255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.769255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.769255 (E_RNA) where: Base-Base interactions energy: -1421.892 where: short stacking energy: -611.082 Base-Backbone interact. energy: -3.648 local terms energy: -616.229672 where: bonds (distance) C4'-P energy: -105.314 bonds (distance) P-C4' energy: -116.647 flat angles C4'-P-C4' energy: -131.629 flat angles P-C4'-P energy: -85.643 tors. eta vs tors. theta energy: -176.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1911.269287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.269287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.269287 (E_RNA) where: Base-Base interactions energy: -1323.548 where: short stacking energy: -568.410 Base-Backbone interact. energy: -2.599 local terms energy: -585.122514 where: bonds (distance) C4'-P energy: -106.378 bonds (distance) P-C4' energy: -108.949 flat angles C4'-P-C4' energy: -113.084 flat angles P-C4'-P energy: -80.696 tors. eta vs tors. theta energy: -176.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1875.500678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.500678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.500678 (E_RNA) where: Base-Base interactions energy: -1315.426 where: short stacking energy: -551.347 Base-Backbone interact. energy: -3.498 local terms energy: -556.576579 where: bonds (distance) C4'-P energy: -108.115 bonds (distance) P-C4' energy: -105.243 flat angles C4'-P-C4' energy: -126.235 flat angles P-C4'-P energy: -76.025 tors. eta vs tors. theta energy: -140.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1514.041329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.041329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.041329 (E_RNA) where: Base-Base interactions energy: -1033.986 where: short stacking energy: -447.868 Base-Backbone interact. energy: -0.175 local terms energy: -479.880367 where: bonds (distance) C4'-P energy: -76.631 bonds (distance) P-C4' energy: -108.116 flat angles C4'-P-C4' energy: -106.352 flat angles P-C4'-P energy: -81.008 tors. eta vs tors. theta energy: -107.773 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: 1 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1491.819764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.819764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.819764 (E_RNA) where: Base-Base interactions energy: -999.690 where: short stacking energy: -453.827 Base-Backbone interact. energy: -2.956 local terms energy: -489.173576 where: bonds (distance) C4'-P energy: -96.341 bonds (distance) P-C4' energy: -95.200 flat angles C4'-P-C4' energy: -121.385 flat angles P-C4'-P energy: -63.946 tors. eta vs tors. theta energy: -112.301 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: 9, replica: 9 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1054.743680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.743680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.743680 (E_RNA) where: Base-Base interactions energy: -647.145 where: short stacking energy: -312.776 Base-Backbone interact. energy: 0.648 local terms energy: -408.246756 where: bonds (distance) C4'-P energy: -96.489 bonds (distance) P-C4' energy: -98.666 flat angles C4'-P-C4' energy: -93.517 flat angles P-C4'-P energy: -60.388 tors. eta vs tors. theta energy: -59.187 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: 4 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -812.610679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.610679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.610679 (E_RNA) where: Base-Base interactions energy: -469.286 where: short stacking energy: -242.494 Base-Backbone interact. energy: -1.478 local terms energy: -341.846864 where: bonds (distance) C4'-P energy: -93.394 bonds (distance) P-C4' energy: -93.293 flat angles C4'-P-C4' energy: -87.683 flat angles P-C4'-P energy: -54.881 tors. eta vs tors. theta energy: -12.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2272.506118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.506118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.506118 (E_RNA) where: Base-Base interactions energy: -1580.730 where: short stacking energy: -665.579 Base-Backbone interact. energy: -3.329 local terms energy: -688.446702 where: bonds (distance) C4'-P energy: -132.207 bonds (distance) P-C4' energy: -130.513 flat angles C4'-P-C4' energy: -140.716 flat angles P-C4'-P energy: -92.935 tors. eta vs tors. theta energy: -192.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2146.001866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.001866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.001866 (E_RNA) where: Base-Base interactions energy: -1536.142 where: short stacking energy: -649.273 Base-Backbone interact. energy: -1.151 local terms energy: -608.708728 where: bonds (distance) C4'-P energy: -116.579 bonds (distance) P-C4' energy: -118.891 flat angles C4'-P-C4' energy: -122.617 flat angles P-C4'-P energy: -73.027 tors. eta vs tors. theta energy: -177.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2068.324611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.324611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.324611 (E_RNA) where: Base-Base interactions energy: -1423.325 where: short stacking energy: -617.869 Base-Backbone interact. energy: 3.205 local terms energy: -648.204888 where: bonds (distance) C4'-P energy: -127.306 bonds (distance) P-C4' energy: -114.589 flat angles C4'-P-C4' energy: -139.442 flat angles P-C4'-P energy: -90.743 tors. eta vs tors. theta energy: -176.125 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: 2 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1987.924670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.924670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.924670 (E_RNA) where: Base-Base interactions energy: -1391.194 where: short stacking energy: -614.627 Base-Backbone interact. energy: -3.286 local terms energy: -593.444928 where: bonds (distance) C4'-P energy: -115.201 bonds (distance) P-C4' energy: -112.499 flat angles C4'-P-C4' energy: -119.610 flat angles P-C4'-P energy: -84.679 tors. eta vs tors. theta energy: -161.455 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: 6 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1932.550471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.550471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.550471 (E_RNA) where: Base-Base interactions energy: -1312.438 where: short stacking energy: -567.862 Base-Backbone interact. energy: -1.614 local terms energy: -618.498825 where: bonds (distance) C4'-P energy: -109.956 bonds (distance) P-C4' energy: -126.035 flat angles C4'-P-C4' energy: -129.860 flat angles P-C4'-P energy: -77.161 tors. eta vs tors. theta energy: -175.486 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: 381 Temperature: 1.150000 Total energy: -1856.246541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.246541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.246541 (E_RNA) where: Base-Base interactions energy: -1278.392 where: short stacking energy: -520.356 Base-Backbone interact. energy: -5.118 local terms energy: -572.736215 where: bonds (distance) C4'-P energy: -92.771 bonds (distance) P-C4' energy: -116.416 flat angles C4'-P-C4' energy: -128.722 flat angles P-C4'-P energy: -84.726 tors. eta vs tors. theta energy: -150.102 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: 7, replica: 8 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1579.196052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.196052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.196052 (E_RNA) where: Base-Base interactions energy: -1073.896 where: short stacking energy: -452.437 Base-Backbone interact. energy: 0.791 local terms energy: -506.091500 where: bonds (distance) C4'-P energy: -102.494 bonds (distance) P-C4' energy: -107.939 flat angles C4'-P-C4' energy: -113.671 flat angles P-C4'-P energy: -74.387 tors. eta vs tors. theta energy: -107.600 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: 8, replica: 1 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1370.727816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.727816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.727816 (E_RNA) where: Base-Base interactions energy: -903.142 where: short stacking energy: -390.284 Base-Backbone interact. energy: -0.951 local terms energy: -466.635056 where: bonds (distance) C4'-P energy: -102.442 bonds (distance) P-C4' energy: -106.442 flat angles C4'-P-C4' energy: -106.437 flat angles P-C4'-P energy: -68.816 tors. eta vs tors. theta energy: -82.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1120.239119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.239119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.239119 (E_RNA) where: Base-Base interactions energy: -727.770 where: short stacking energy: -327.558 Base-Backbone interact. energy: -1.245 local terms energy: -391.223745 where: bonds (distance) C4'-P energy: -84.455 bonds (distance) P-C4' energy: -95.262 flat angles C4'-P-C4' energy: -99.127 flat angles P-C4'-P energy: -49.953 tors. eta vs tors. theta energy: -62.427 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: 4 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -847.130256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.130256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.130256 (E_RNA) where: Base-Base interactions energy: -475.135 where: short stacking energy: -258.307 Base-Backbone interact. energy: -0.160 local terms energy: -371.834950 where: bonds (distance) C4'-P energy: -76.006 bonds (distance) P-C4' energy: -106.881 flat angles C4'-P-C4' energy: -102.778 flat angles P-C4'-P energy: -53.252 tors. eta vs tors. theta energy: -32.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2260.404910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.404910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.404910 (E_RNA) where: Base-Base interactions energy: -1583.344 where: short stacking energy: -654.830 Base-Backbone interact. energy: -1.845 local terms energy: -675.216219 where: bonds (distance) C4'-P energy: -116.835 bonds (distance) P-C4' energy: -129.312 flat angles C4'-P-C4' energy: -142.993 flat angles P-C4'-P energy: -88.309 tors. eta vs tors. theta energy: -197.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2204.618469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.618469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.618469 (E_RNA) where: Base-Base interactions energy: -1528.366 where: short stacking energy: -634.417 Base-Backbone interact. energy: -2.124 local terms energy: -674.128377 where: bonds (distance) C4'-P energy: -123.487 bonds (distance) P-C4' energy: -126.062 flat angles C4'-P-C4' energy: -149.550 flat angles P-C4'-P energy: -94.775 tors. eta vs tors. theta energy: -180.254 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: 2 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2040.776245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.776245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.776245 (E_RNA) where: Base-Base interactions energy: -1433.930 where: short stacking energy: -600.418 Base-Backbone interact. energy: -1.995 local terms energy: -604.850609 where: bonds (distance) C4'-P energy: -108.220 bonds (distance) P-C4' energy: -110.675 flat angles C4'-P-C4' energy: -129.965 flat angles P-C4'-P energy: -90.138 tors. eta vs tors. theta energy: -165.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2011.598248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.598248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.598248 (E_RNA) where: Base-Base interactions energy: -1387.782 where: short stacking energy: -615.177 Base-Backbone interact. energy: -1.653 local terms energy: -622.162530 where: bonds (distance) C4'-P energy: -103.653 bonds (distance) P-C4' energy: -102.610 flat angles C4'-P-C4' energy: -144.011 flat angles P-C4'-P energy: -93.889 tors. eta vs tors. theta energy: -177.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1928.549619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.549619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.549619 (E_RNA) where: Base-Base interactions energy: -1319.161 where: short stacking energy: -576.230 Base-Backbone interact. energy: -2.291 local terms energy: -607.097196 where: bonds (distance) C4'-P energy: -104.344 bonds (distance) P-C4' energy: -113.403 flat angles C4'-P-C4' energy: -128.462 flat angles P-C4'-P energy: -84.083 tors. eta vs tors. theta energy: -176.805 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: 6, replica: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1872.692530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.692530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.692530 (E_RNA) where: Base-Base interactions energy: -1325.305 where: short stacking energy: -572.857 Base-Backbone interact. energy: 4.139 local terms energy: -551.526769 where: bonds (distance) C4'-P energy: -98.395 bonds (distance) P-C4' energy: -111.494 flat angles C4'-P-C4' energy: -119.476 flat angles P-C4'-P energy: -73.446 tors. eta vs tors. theta energy: -148.716 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: 8 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1516.735808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.735808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.735808 (E_RNA) where: Base-Base interactions energy: -1035.291 where: short stacking energy: -446.189 Base-Backbone interact. energy: -1.292 local terms energy: -480.152706 where: bonds (distance) C4'-P energy: -89.644 bonds (distance) P-C4' energy: -119.834 flat angles C4'-P-C4' energy: -102.821 flat angles P-C4'-P energy: -60.490 tors. eta vs tors. theta energy: -107.364 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: 1 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1451.791477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.791477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.791477 (E_RNA) where: Base-Base interactions energy: -972.990 where: short stacking energy: -409.919 Base-Backbone interact. energy: 1.191 local terms energy: -479.992328 where: bonds (distance) C4'-P energy: -97.425 bonds (distance) P-C4' energy: -109.112 flat angles C4'-P-C4' energy: -105.426 flat angles P-C4'-P energy: -71.745 tors. eta vs tors. theta energy: -96.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1088.001805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.001805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.001805 (E_RNA) where: Base-Base interactions energy: -683.204 where: short stacking energy: -318.412 Base-Backbone interact. energy: -1.007 local terms energy: -403.789950 where: bonds (distance) C4'-P energy: -73.234 bonds (distance) P-C4' energy: -109.136 flat angles C4'-P-C4' energy: -110.727 flat angles P-C4'-P energy: -56.279 tors. eta vs tors. theta energy: -54.414 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: 4 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -833.876986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.876986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.876986 (E_RNA) where: Base-Base interactions energy: -480.491 where: short stacking energy: -250.235 Base-Backbone interact. energy: -1.236 local terms energy: -352.149898 where: bonds (distance) C4'-P energy: -91.776 bonds (distance) P-C4' energy: -104.720 flat angles C4'-P-C4' energy: -94.538 flat angles P-C4'-P energy: -47.303 tors. eta vs tors. theta energy: -13.812 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: 10 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2248.051795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.051795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.051795 (E_RNA) where: Base-Base interactions energy: -1556.020 where: short stacking energy: -655.159 Base-Backbone interact. energy: 0.075 local terms energy: -692.106855 where: bonds (distance) C4'-P energy: -121.388 bonds (distance) P-C4' energy: -131.999 flat angles C4'-P-C4' energy: -137.365 flat angles P-C4'-P energy: -103.731 tors. eta vs tors. theta energy: -197.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2108.876107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.876107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.876107 (E_RNA) where: Base-Base interactions energy: -1474.076 where: short stacking energy: -613.345 Base-Backbone interact. energy: -3.986 local terms energy: -630.814121 where: bonds (distance) C4'-P energy: -116.592 bonds (distance) P-C4' energy: -123.142 flat angles C4'-P-C4' energy: -129.882 flat angles P-C4'-P energy: -91.784 tors. eta vs tors. theta energy: -169.415 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: 2 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2042.173844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.173844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.173844 (E_RNA) where: Base-Base interactions energy: -1443.264 where: short stacking energy: -619.101 Base-Backbone interact. energy: -2.460 local terms energy: -596.449720 where: bonds (distance) C4'-P energy: -96.258 bonds (distance) P-C4' energy: -119.868 flat angles C4'-P-C4' energy: -126.332 flat angles P-C4'-P energy: -81.393 tors. eta vs tors. theta energy: -172.599 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: 7 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2000.397215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.397215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.397215 (E_RNA) where: Base-Base interactions energy: -1354.009 where: short stacking energy: -611.353 Base-Backbone interact. energy: -1.956 local terms energy: -644.432555 where: bonds (distance) C4'-P energy: -110.368 bonds (distance) P-C4' energy: -126.182 flat angles C4'-P-C4' energy: -131.509 flat angles P-C4'-P energy: -94.033 tors. eta vs tors. theta energy: -182.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1936.318349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.318349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.318349 (E_RNA) where: Base-Base interactions energy: -1342.948 where: short stacking energy: -585.925 Base-Backbone interact. energy: -2.134 local terms energy: -591.236212 where: bonds (distance) C4'-P energy: -95.879 bonds (distance) P-C4' energy: -110.496 flat angles C4'-P-C4' energy: -127.734 flat angles P-C4'-P energy: -84.005 tors. eta vs tors. theta energy: -173.123 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: 383 Temperature: 1.150000 Total energy: -1849.316966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.316966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.316966 (E_RNA) where: Base-Base interactions energy: -1302.406 where: short stacking energy: -530.545 Base-Backbone interact. energy: 9.060 local terms energy: -555.971629 where: bonds (distance) C4'-P energy: -106.916 bonds (distance) P-C4' energy: -116.428 flat angles C4'-P-C4' energy: -100.273 flat angles P-C4'-P energy: -88.266 tors. eta vs tors. theta energy: -144.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1547.895216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.895216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.895216 (E_RNA) where: Base-Base interactions energy: -1037.635 where: short stacking energy: -450.594 Base-Backbone interact. energy: 2.990 local terms energy: -513.250404 where: bonds (distance) C4'-P energy: -102.998 bonds (distance) P-C4' energy: -109.146 flat angles C4'-P-C4' energy: -114.328 flat angles P-C4'-P energy: -68.489 tors. eta vs tors. theta energy: -118.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1496.711710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.711710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.711710 (E_RNA) where: Base-Base interactions energy: -1018.565 where: short stacking energy: -441.166 Base-Backbone interact. energy: -0.335 local terms energy: -477.812121 where: bonds (distance) C4'-P energy: -113.802 bonds (distance) P-C4' energy: -97.992 flat angles C4'-P-C4' energy: -97.465 flat angles P-C4'-P energy: -63.425 tors. eta vs tors. theta energy: -105.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1067.505047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.505047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.505047 (E_RNA) where: Base-Base interactions energy: -645.895 where: short stacking energy: -308.105 Base-Backbone interact. energy: -3.438 local terms energy: -418.172243 where: bonds (distance) C4'-P energy: -93.302 bonds (distance) P-C4' energy: -101.321 flat angles C4'-P-C4' energy: -104.027 flat angles P-C4'-P energy: -59.551 tors. eta vs tors. theta energy: -59.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -876.100597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.100597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.100597 (E_RNA) where: Base-Base interactions energy: -513.366 where: short stacking energy: -271.777 Base-Backbone interact. energy: 1.125 local terms energy: -363.859233 where: bonds (distance) C4'-P energy: -94.434 bonds (distance) P-C4' energy: -103.472 flat angles C4'-P-C4' energy: -90.344 flat angles P-C4'-P energy: -49.788 tors. eta vs tors. theta energy: -25.822 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: 10 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2246.650446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.650446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.650446 (E_RNA) where: Base-Base interactions energy: -1579.689 where: short stacking energy: -656.754 Base-Backbone interact. energy: -1.166 local terms energy: -665.795368 where: bonds (distance) C4'-P energy: -121.732 bonds (distance) P-C4' energy: -115.646 flat angles C4'-P-C4' energy: -146.494 flat angles P-C4'-P energy: -91.449 tors. eta vs tors. theta energy: -190.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2120.859852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.859852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.859852 (E_RNA) where: Base-Base interactions energy: -1466.787 where: short stacking energy: -609.916 Base-Backbone interact. energy: 6.461 local terms energy: -660.533941 where: bonds (distance) C4'-P energy: -135.255 bonds (distance) P-C4' energy: -129.429 flat angles C4'-P-C4' energy: -135.505 flat angles P-C4'-P energy: -90.916 tors. eta vs tors. theta energy: -169.428 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: 3, replica: 2 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2057.998863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.998863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.998863 (E_RNA) where: Base-Base interactions energy: -1427.211 where: short stacking energy: -620.231 Base-Backbone interact. energy: 5.453 local terms energy: -636.240935 where: bonds (distance) C4'-P energy: -120.638 bonds (distance) P-C4' energy: -117.092 flat angles C4'-P-C4' energy: -132.695 flat angles P-C4'-P energy: -84.442 tors. eta vs tors. theta energy: -181.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1984.386732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.386732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.386732 (E_RNA) where: Base-Base interactions energy: -1378.089 where: short stacking energy: -619.700 Base-Backbone interact. energy: -2.143 local terms energy: -604.155021 where: bonds (distance) C4'-P energy: -116.494 bonds (distance) P-C4' energy: -100.138 flat angles C4'-P-C4' energy: -138.293 flat angles P-C4'-P energy: -78.643 tors. eta vs tors. theta energy: -170.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1972.964346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.964346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.964346 (E_RNA) where: Base-Base interactions energy: -1347.334 where: short stacking energy: -597.258 Base-Backbone interact. energy: -2.491 local terms energy: -623.139501 where: bonds (distance) C4'-P energy: -114.486 bonds (distance) P-C4' energy: -123.410 flat angles C4'-P-C4' energy: -127.001 flat angles P-C4'-P energy: -78.751 tors. eta vs tors. theta energy: -179.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1833.014387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.014387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.014387 (E_RNA) where: Base-Base interactions energy: -1273.490 where: short stacking energy: -525.030 Base-Backbone interact. energy: -4.502 local terms energy: -555.022798 where: bonds (distance) C4'-P energy: -100.408 bonds (distance) P-C4' energy: -106.138 flat angles C4'-P-C4' energy: -117.822 flat angles P-C4'-P energy: -87.828 tors. eta vs tors. theta energy: -142.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1602.839417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.839417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.839417 (E_RNA) where: Base-Base interactions energy: -1063.524 where: short stacking energy: -462.999 Base-Backbone interact. energy: -4.923 local terms energy: -534.393171 where: bonds (distance) C4'-P energy: -94.017 bonds (distance) P-C4' energy: -105.415 flat angles C4'-P-C4' energy: -120.812 flat angles P-C4'-P energy: -83.731 tors. eta vs tors. theta energy: -130.419 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: 8, replica: 8 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1478.803724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.803724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.803724 (E_RNA) where: Base-Base interactions energy: -1013.848 where: short stacking energy: -440.060 Base-Backbone interact. energy: -0.401 local terms energy: -464.555082 where: bonds (distance) C4'-P energy: -106.227 bonds (distance) P-C4' energy: -79.208 flat angles C4'-P-C4' energy: -110.790 flat angles P-C4'-P energy: -66.163 tors. eta vs tors. theta energy: -102.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1109.201567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.201567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.201567 (E_RNA) where: Base-Base interactions energy: -697.227 where: short stacking energy: -329.707 Base-Backbone interact. energy: -2.501 local terms energy: -409.472880 where: bonds (distance) C4'-P energy: -88.889 bonds (distance) P-C4' energy: -96.973 flat angles C4'-P-C4' energy: -115.157 flat angles P-C4'-P energy: -51.967 tors. eta vs tors. theta energy: -56.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -840.874909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.874909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.874909 (E_RNA) where: Base-Base interactions energy: -437.815 where: short stacking energy: -242.640 Base-Backbone interact. energy: -2.486 local terms energy: -400.573719 where: bonds (distance) C4'-P energy: -95.121 bonds (distance) P-C4' energy: -115.196 flat angles C4'-P-C4' energy: -83.938 flat angles P-C4'-P energy: -71.775 tors. eta vs tors. theta energy: -34.544 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: 10 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2231.807478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.807478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.807478 (E_RNA) where: Base-Base interactions energy: -1542.260 where: short stacking energy: -658.141 Base-Backbone interact. energy: -2.859 local terms energy: -686.688577 where: bonds (distance) C4'-P energy: -115.036 bonds (distance) P-C4' energy: -128.976 flat angles C4'-P-C4' energy: -137.863 flat angles P-C4'-P energy: -109.344 tors. eta vs tors. theta energy: -195.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2142.103203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.103203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.103203 (E_RNA) where: Base-Base interactions energy: -1509.610 where: short stacking energy: -631.280 Base-Backbone interact. energy: -3.919 local terms energy: -628.573627 where: bonds (distance) C4'-P energy: -105.649 bonds (distance) P-C4' energy: -121.496 flat angles C4'-P-C4' energy: -138.431 flat angles P-C4'-P energy: -92.803 tors. eta vs tors. theta energy: -170.195 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: 2 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2042.046550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.046550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.046550 (E_RNA) where: Base-Base interactions energy: -1411.698 where: short stacking energy: -606.190 Base-Backbone interact. energy: -1.659 local terms energy: -628.688958 where: bonds (distance) C4'-P energy: -114.101 bonds (distance) P-C4' energy: -118.771 flat angles C4'-P-C4' energy: -140.155 flat angles P-C4'-P energy: -83.290 tors. eta vs tors. theta energy: -172.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2001.111690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.111690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.111690 (E_RNA) where: Base-Base interactions energy: -1385.387 where: short stacking energy: -637.593 Base-Backbone interact. energy: -1.020 local terms energy: -614.704809 where: bonds (distance) C4'-P energy: -110.095 bonds (distance) P-C4' energy: -105.131 flat angles C4'-P-C4' energy: -126.180 flat angles P-C4'-P energy: -91.883 tors. eta vs tors. theta energy: -181.415 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: 7 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1919.933152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.933152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.933152 (E_RNA) where: Base-Base interactions energy: -1329.556 where: short stacking energy: -579.555 Base-Backbone interact. energy: -0.549 local terms energy: -589.827975 where: bonds (distance) C4'-P energy: -108.505 bonds (distance) P-C4' energy: -115.935 flat angles C4'-P-C4' energy: -133.256 flat angles P-C4'-P energy: -79.506 tors. eta vs tors. theta energy: -152.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1878.233876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.233876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.233876 (E_RNA) where: Base-Base interactions energy: -1329.153 where: short stacking energy: -548.978 Base-Backbone interact. energy: -2.899 local terms energy: -546.182420 where: bonds (distance) C4'-P energy: -106.365 bonds (distance) P-C4' energy: -96.667 flat angles C4'-P-C4' energy: -108.592 flat angles P-C4'-P energy: -85.206 tors. eta vs tors. theta energy: -149.353 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: 7, replica: 1 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1600.818741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.818741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.818741 (E_RNA) where: Base-Base interactions energy: -1099.005 where: short stacking energy: -466.497 Base-Backbone interact. energy: -3.055 local terms energy: -498.758072 where: bonds (distance) C4'-P energy: -97.237 bonds (distance) P-C4' energy: -105.954 flat angles C4'-P-C4' energy: -108.211 flat angles P-C4'-P energy: -67.501 tors. eta vs tors. theta energy: -119.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1460.193484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.193484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.193484 (E_RNA) where: Base-Base interactions energy: -1013.866 where: short stacking energy: -431.189 Base-Backbone interact. energy: 3.683 local terms energy: -450.010425 where: bonds (distance) C4'-P energy: -72.681 bonds (distance) P-C4' energy: -104.555 flat angles C4'-P-C4' energy: -102.119 flat angles P-C4'-P energy: -70.899 tors. eta vs tors. theta energy: -99.757 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: 385 Temperature: 1.300000 Total energy: -1099.253862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.253862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.253862 (E_RNA) where: Base-Base interactions energy: -652.695 where: short stacking energy: -346.500 Base-Backbone interact. energy: 6.079 local terms energy: -452.638047 where: bonds (distance) C4'-P energy: -103.104 bonds (distance) P-C4' energy: -110.093 flat angles C4'-P-C4' energy: -94.369 flat angles P-C4'-P energy: -68.091 tors. eta vs tors. theta energy: -76.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -828.974972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.974972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.974972 (E_RNA) where: Base-Base interactions energy: -457.245 where: short stacking energy: -250.537 Base-Backbone interact. energy: -1.063 local terms energy: -370.666734 where: bonds (distance) C4'-P energy: -90.739 bonds (distance) P-C4' energy: -112.455 flat angles C4'-P-C4' energy: -86.009 flat angles P-C4'-P energy: -68.901 tors. eta vs tors. theta energy: -12.562 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: 10 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2233.836531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.836531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.836531 (E_RNA) where: Base-Base interactions energy: -1563.508 where: short stacking energy: -665.767 Base-Backbone interact. energy: -1.767 local terms energy: -668.561613 where: bonds (distance) C4'-P energy: -112.804 bonds (distance) P-C4' energy: -120.665 flat angles C4'-P-C4' energy: -141.140 flat angles P-C4'-P energy: -102.965 tors. eta vs tors. theta energy: -190.988 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: 3 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2128.105576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.105576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.105576 (E_RNA) where: Base-Base interactions energy: -1494.841 where: short stacking energy: -619.834 Base-Backbone interact. energy: -0.208 local terms energy: -633.056761 where: bonds (distance) C4'-P energy: -119.761 bonds (distance) P-C4' energy: -116.168 flat angles C4'-P-C4' energy: -134.862 flat angles P-C4'-P energy: -87.010 tors. eta vs tors. theta energy: -175.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2055.335072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.335072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.335072 (E_RNA) where: Base-Base interactions energy: -1439.907 where: short stacking energy: -618.352 Base-Backbone interact. energy: -4.473 local terms energy: -610.954961 where: bonds (distance) C4'-P energy: -121.551 bonds (distance) P-C4' energy: -108.731 flat angles C4'-P-C4' energy: -129.148 flat angles P-C4'-P energy: -83.753 tors. eta vs tors. theta energy: -167.772 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: 6 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2036.886487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.886487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.886487 (E_RNA) where: Base-Base interactions energy: -1438.869 where: short stacking energy: -630.208 Base-Backbone interact. energy: -2.849 local terms energy: -595.168184 where: bonds (distance) C4'-P energy: -107.323 bonds (distance) P-C4' energy: -104.023 flat angles C4'-P-C4' energy: -123.399 flat angles P-C4'-P energy: -75.153 tors. eta vs tors. theta energy: -185.270 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: 5, replica: 7 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1913.749006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.749006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.749006 (E_RNA) where: Base-Base interactions energy: -1334.709 where: short stacking energy: -584.632 Base-Backbone interact. energy: -2.237 local terms energy: -576.802640 where: bonds (distance) C4'-P energy: -104.426 bonds (distance) P-C4' energy: -111.123 flat angles C4'-P-C4' energy: -108.311 flat angles P-C4'-P energy: -86.019 tors. eta vs tors. theta energy: -166.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1851.444773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.444773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.444773 (E_RNA) where: Base-Base interactions energy: -1297.769 where: short stacking energy: -533.147 Base-Backbone interact. energy: -1.928 local terms energy: -551.747445 where: bonds (distance) C4'-P energy: -94.819 bonds (distance) P-C4' energy: -131.607 flat angles C4'-P-C4' energy: -116.908 flat angles P-C4'-P energy: -73.823 tors. eta vs tors. theta energy: -134.590 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: 1 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1549.452280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.452280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.452280 (E_RNA) where: Base-Base interactions energy: -1047.716 where: short stacking energy: -470.996 Base-Backbone interact. energy: -1.998 local terms energy: -499.738449 where: bonds (distance) C4'-P energy: -110.516 bonds (distance) P-C4' energy: -86.711 flat angles C4'-P-C4' energy: -112.359 flat angles P-C4'-P energy: -77.204 tors. eta vs tors. theta energy: -112.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1489.385947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.385947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.385947 (E_RNA) where: Base-Base interactions energy: -1009.620 where: short stacking energy: -432.504 Base-Backbone interact. energy: 5.335 local terms energy: -485.101091 where: bonds (distance) C4'-P energy: -102.912 bonds (distance) P-C4' energy: -109.315 flat angles C4'-P-C4' energy: -103.745 flat angles P-C4'-P energy: -62.554 tors. eta vs tors. theta energy: -106.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1083.321639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.321639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.321639 (E_RNA) where: Base-Base interactions energy: -652.774 where: short stacking energy: -310.832 Base-Backbone interact. energy: 2.005 local terms energy: -432.552569 where: bonds (distance) C4'-P energy: -104.270 bonds (distance) P-C4' energy: -110.345 flat angles C4'-P-C4' energy: -87.885 flat angles P-C4'-P energy: -77.974 tors. eta vs tors. theta energy: -52.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -811.218181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.218181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.218181 (E_RNA) where: Base-Base interactions energy: -455.503 where: short stacking energy: -230.996 Base-Backbone interact. energy: -1.188 local terms energy: -354.527688 where: bonds (distance) C4'-P energy: -97.137 bonds (distance) P-C4' energy: -99.646 flat angles C4'-P-C4' energy: -93.119 flat angles P-C4'-P energy: -53.903 tors. eta vs tors. theta energy: -10.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2239.148305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.148305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.148305 (E_RNA) where: Base-Base interactions energy: -1565.325 where: short stacking energy: -654.255 Base-Backbone interact. energy: -0.953 local terms energy: -672.870455 where: bonds (distance) C4'-P energy: -132.994 bonds (distance) P-C4' energy: -126.154 flat angles C4'-P-C4' energy: -134.044 flat angles P-C4'-P energy: -94.853 tors. eta vs tors. theta energy: -184.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2146.311101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.311101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.311101 (E_RNA) where: Base-Base interactions energy: -1502.742 where: short stacking energy: -636.465 Base-Backbone interact. energy: -1.554 local terms energy: -642.015010 where: bonds (distance) C4'-P energy: -122.821 bonds (distance) P-C4' energy: -119.595 flat angles C4'-P-C4' energy: -134.113 flat angles P-C4'-P energy: -88.219 tors. eta vs tors. theta energy: -177.267 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: 2 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2039.415033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.415033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.415033 (E_RNA) where: Base-Base interactions energy: -1401.985 where: short stacking energy: -603.416 Base-Backbone interact. energy: 0.127 local terms energy: -637.556320 where: bonds (distance) C4'-P energy: -122.412 bonds (distance) P-C4' energy: -123.729 flat angles C4'-P-C4' energy: -130.602 flat angles P-C4'-P energy: -86.494 tors. eta vs tors. theta energy: -174.320 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: 6 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2008.760809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.760809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.760809 (E_RNA) where: Base-Base interactions energy: -1389.810 where: short stacking energy: -609.993 Base-Backbone interact. energy: -1.341 local terms energy: -617.609815 where: bonds (distance) C4'-P energy: -109.718 bonds (distance) P-C4' energy: -118.542 flat angles C4'-P-C4' energy: -140.042 flat angles P-C4'-P energy: -66.191 tors. eta vs tors. theta energy: -183.116 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: 5, replica: 7 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1910.447877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.447877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.447877 (E_RNA) where: Base-Base interactions energy: -1318.398 where: short stacking energy: -574.215 Base-Backbone interact. energy: -1.716 local terms energy: -590.333905 where: bonds (distance) C4'-P energy: -104.816 bonds (distance) P-C4' energy: -117.280 flat angles C4'-P-C4' energy: -128.719 flat angles P-C4'-P energy: -79.172 tors. eta vs tors. theta energy: -160.346 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: 6, replica: 5 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1837.860888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.860888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.860888 (E_RNA) where: Base-Base interactions energy: -1281.919 where: short stacking energy: -539.088 Base-Backbone interact. energy: -0.261 local terms energy: -555.681343 where: bonds (distance) C4'-P energy: -114.305 bonds (distance) P-C4' energy: -110.688 flat angles C4'-P-C4' energy: -108.444 flat angles P-C4'-P energy: -68.719 tors. eta vs tors. theta energy: -153.525 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: 1 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1592.567759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.567759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.567759 (E_RNA) where: Base-Base interactions energy: -1082.449 where: short stacking energy: -466.978 Base-Backbone interact. energy: 0.337 local terms energy: -510.456040 where: bonds (distance) C4'-P energy: -104.568 bonds (distance) P-C4' energy: -104.877 flat angles C4'-P-C4' energy: -118.075 flat angles P-C4'-P energy: -73.265 tors. eta vs tors. theta energy: -109.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1385.893227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.893227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.893227 (E_RNA) where: Base-Base interactions energy: -923.419 where: short stacking energy: -389.311 Base-Backbone interact. energy: -2.598 local terms energy: -459.876197 where: bonds (distance) C4'-P energy: -108.019 bonds (distance) P-C4' energy: -103.498 flat angles C4'-P-C4' energy: -108.320 flat angles P-C4'-P energy: -64.765 tors. eta vs tors. theta energy: -75.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1025.819351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.819351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.819351 (E_RNA) where: Base-Base interactions energy: -637.028 where: short stacking energy: -311.078 Base-Backbone interact. energy: 2.469 local terms energy: -391.260356 where: bonds (distance) C4'-P energy: -85.439 bonds (distance) P-C4' energy: -103.196 flat angles C4'-P-C4' energy: -97.323 flat angles P-C4'-P energy: -55.645 tors. eta vs tors. theta energy: -49.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -771.628674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.628674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.628674 (E_RNA) where: Base-Base interactions energy: -393.337 where: short stacking energy: -216.512 Base-Backbone interact. energy: 6.109 local terms energy: -384.400841 where: bonds (distance) C4'-P energy: -100.533 bonds (distance) P-C4' energy: -106.406 flat angles C4'-P-C4' energy: -97.959 flat angles P-C4'-P energy: -54.093 tors. eta vs tors. theta energy: -25.410 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: 10 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2243.265356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.265356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.265356 (E_RNA) where: Base-Base interactions energy: -1564.387 where: short stacking energy: -648.561 Base-Backbone interact. energy: 1.523 local terms energy: -680.401424 where: bonds (distance) C4'-P energy: -120.249 bonds (distance) P-C4' energy: -129.587 flat angles C4'-P-C4' energy: -137.326 flat angles P-C4'-P energy: -106.903 tors. eta vs tors. theta energy: -186.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2120.809765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.809765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.809765 (E_RNA) where: Base-Base interactions energy: -1478.093 where: short stacking energy: -623.829 Base-Backbone interact. energy: -2.563 local terms energy: -640.153898 where: bonds (distance) C4'-P energy: -115.180 bonds (distance) P-C4' energy: -127.876 flat angles C4'-P-C4' energy: -133.824 flat angles P-C4'-P energy: -83.310 tors. eta vs tors. theta energy: -179.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2078.054620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.054620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.054620 (E_RNA) where: Base-Base interactions energy: -1467.926 where: short stacking energy: -639.368 Base-Backbone interact. energy: -3.650 local terms energy: -606.478488 where: bonds (distance) C4'-P energy: -114.533 bonds (distance) P-C4' energy: -114.273 flat angles C4'-P-C4' energy: -116.007 flat angles P-C4'-P energy: -94.325 tors. eta vs tors. theta energy: -167.341 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: 4, replica: 6 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2064.438485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.438485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.438485 (E_RNA) where: Base-Base interactions energy: -1439.561 where: short stacking energy: -630.476 Base-Backbone interact. energy: -1.933 local terms energy: -622.944415 where: bonds (distance) C4'-P energy: -113.146 bonds (distance) P-C4' energy: -106.252 flat angles C4'-P-C4' energy: -139.919 flat angles P-C4'-P energy: -78.419 tors. eta vs tors. theta energy: -185.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1924.402704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.402704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.402704 (E_RNA) where: Base-Base interactions energy: -1334.642 where: short stacking energy: -588.592 Base-Backbone interact. energy: 1.621 local terms energy: -591.381546 where: bonds (distance) C4'-P energy: -105.429 bonds (distance) P-C4' energy: -99.520 flat angles C4'-P-C4' energy: -126.135 flat angles P-C4'-P energy: -88.062 tors. eta vs tors. theta energy: -172.236 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: 6, replica: 5 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1886.662476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.662476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.662476 (E_RNA) where: Base-Base interactions energy: -1305.448 where: short stacking energy: -539.374 Base-Backbone interact. energy: -4.036 local terms energy: -577.178285 where: bonds (distance) C4'-P energy: -96.246 bonds (distance) P-C4' energy: -108.436 flat angles C4'-P-C4' energy: -125.270 flat angles P-C4'-P energy: -88.548 tors. eta vs tors. theta energy: -158.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1581.506638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.506638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.506638 (E_RNA) where: Base-Base interactions energy: -1077.652 where: short stacking energy: -460.911 Base-Backbone interact. energy: 0.883 local terms energy: -504.737501 where: bonds (distance) C4'-P energy: -112.737 bonds (distance) P-C4' energy: -97.512 flat angles C4'-P-C4' energy: -112.870 flat angles P-C4'-P energy: -72.498 tors. eta vs tors. theta energy: -109.120 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: 8 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1395.977569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.977569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.977569 (E_RNA) where: Base-Base interactions energy: -936.873 where: short stacking energy: -409.830 Base-Backbone interact. energy: -3.587 local terms energy: -455.517561 where: bonds (distance) C4'-P energy: -102.896 bonds (distance) P-C4' energy: -90.555 flat angles C4'-P-C4' energy: -114.607 flat angles P-C4'-P energy: -63.569 tors. eta vs tors. theta energy: -83.890 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: 388 Temperature: 1.300000 Total energy: -1038.437706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.437706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.437706 (E_RNA) where: Base-Base interactions energy: -609.836 where: short stacking energy: -293.549 Base-Backbone interact. energy: -0.937 local terms energy: -427.664174 where: bonds (distance) C4'-P energy: -100.431 bonds (distance) P-C4' energy: -110.533 flat angles C4'-P-C4' energy: -99.948 flat angles P-C4'-P energy: -71.639 tors. eta vs tors. theta energy: -45.113 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: 10, replica: 4 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -754.723775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.723775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.723775 (E_RNA) where: Base-Base interactions energy: -400.111 where: short stacking energy: -224.696 Base-Backbone interact. energy: -0.921 local terms energy: -353.691466 where: bonds (distance) C4'-P energy: -85.144 bonds (distance) P-C4' energy: -105.620 flat angles C4'-P-C4' energy: -105.909 flat angles P-C4'-P energy: -48.409 tors. eta vs tors. theta energy: -8.610 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: 1, replica: 10 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2235.691610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.691610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.691610 (E_RNA) where: Base-Base interactions energy: -1571.658 where: short stacking energy: -660.951 Base-Backbone interact. energy: -2.000 local terms energy: -662.034107 where: bonds (distance) C4'-P energy: -115.264 bonds (distance) P-C4' energy: -117.410 flat angles C4'-P-C4' energy: -137.398 flat angles P-C4'-P energy: -97.180 tors. eta vs tors. theta energy: -194.782 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: 3 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2122.304510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.304510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.304510 (E_RNA) where: Base-Base interactions energy: -1493.381 where: short stacking energy: -609.645 Base-Backbone interact. energy: 2.178 local terms energy: -631.101638 where: bonds (distance) C4'-P energy: -110.263 bonds (distance) P-C4' energy: -128.898 flat angles C4'-P-C4' energy: -137.033 flat angles P-C4'-P energy: -82.250 tors. eta vs tors. theta energy: -172.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2056.285928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.285928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.285928 (E_RNA) where: Base-Base interactions energy: -1430.472 where: short stacking energy: -626.565 Base-Backbone interact. energy: -2.253 local terms energy: -623.560039 where: bonds (distance) C4'-P energy: -117.560 bonds (distance) P-C4' energy: -116.833 flat angles C4'-P-C4' energy: -133.377 flat angles P-C4'-P energy: -87.395 tors. eta vs tors. theta energy: -168.396 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: 6 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2033.419482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.419482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.419482 (E_RNA) where: Base-Base interactions energy: -1420.479 where: short stacking energy: -596.669 Base-Backbone interact. energy: 1.069 local terms energy: -614.009839 where: bonds (distance) C4'-P energy: -103.712 bonds (distance) P-C4' energy: -109.617 flat angles C4'-P-C4' energy: -122.938 flat angles P-C4'-P energy: -91.312 tors. eta vs tors. theta energy: -186.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1956.718766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.718766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.718766 (E_RNA) where: Base-Base interactions energy: -1375.388 where: short stacking energy: -586.210 Base-Backbone interact. energy: -1.216 local terms energy: -580.114554 where: bonds (distance) C4'-P energy: -89.287 bonds (distance) P-C4' energy: -116.564 flat angles C4'-P-C4' energy: -126.283 flat angles P-C4'-P energy: -86.993 tors. eta vs tors. theta energy: -160.987 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: 6, replica: 5 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1881.314205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.314205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.314205 (E_RNA) where: Base-Base interactions energy: -1319.957 where: short stacking energy: -566.182 Base-Backbone interact. energy: 0.417 local terms energy: -561.773700 where: bonds (distance) C4'-P energy: -91.294 bonds (distance) P-C4' energy: -111.456 flat angles C4'-P-C4' energy: -122.376 flat angles P-C4'-P energy: -71.135 tors. eta vs tors. theta energy: -165.513 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: 1 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1552.523336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.523336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.523336 (E_RNA) where: Base-Base interactions energy: -1052.450 where: short stacking energy: -452.527 Base-Backbone interact. energy: 3.860 local terms energy: -503.933159 where: bonds (distance) C4'-P energy: -93.505 bonds (distance) P-C4' energy: -105.371 flat angles C4'-P-C4' energy: -111.147 flat angles P-C4'-P energy: -82.154 tors. eta vs tors. theta energy: -111.758 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: 8 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1407.242952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.242952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.242952 (E_RNA) where: Base-Base interactions energy: -968.235 where: short stacking energy: -416.862 Base-Backbone interact. energy: -3.655 local terms energy: -435.352428 where: bonds (distance) C4'-P energy: -91.471 bonds (distance) P-C4' energy: -105.351 flat angles C4'-P-C4' energy: -86.376 flat angles P-C4'-P energy: -63.964 tors. eta vs tors. theta energy: -88.191 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: 9, replica: 9 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -982.391525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.391525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.391525 (E_RNA) where: Base-Base interactions energy: -608.633 where: short stacking energy: -310.226 Base-Backbone interact. energy: -0.633 local terms energy: -373.125209 where: bonds (distance) C4'-P energy: -95.605 bonds (distance) P-C4' energy: -82.005 flat angles C4'-P-C4' energy: -94.913 flat angles P-C4'-P energy: -57.081 tors. eta vs tors. theta energy: -43.522 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: 4 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -767.817607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.817607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.817607 (E_RNA) where: Base-Base interactions energy: -445.407 where: short stacking energy: -242.034 Base-Backbone interact. energy: 6.175 local terms energy: -328.585887 where: bonds (distance) C4'-P energy: -103.909 bonds (distance) P-C4' energy: -90.328 flat angles C4'-P-C4' energy: -84.021 flat angles P-C4'-P energy: -30.731 tors. eta vs tors. theta energy: -19.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2258.317730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.317730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.317730 (E_RNA) where: Base-Base interactions energy: -1582.860 where: short stacking energy: -678.823 Base-Backbone interact. energy: 0.189 local terms energy: -675.646944 where: bonds (distance) C4'-P energy: -125.967 bonds (distance) P-C4' energy: -127.509 flat angles C4'-P-C4' energy: -129.319 flat angles P-C4'-P energy: -97.621 tors. eta vs tors. theta energy: -195.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2114.967187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.967187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.967187 (E_RNA) where: Base-Base interactions energy: -1500.976 where: short stacking energy: -610.311 Base-Backbone interact. energy: -0.886 local terms energy: -613.106117 where: bonds (distance) C4'-P energy: -116.475 bonds (distance) P-C4' energy: -122.353 flat angles C4'-P-C4' energy: -129.157 flat angles P-C4'-P energy: -77.417 tors. eta vs tors. theta energy: -167.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2110.798920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.798920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.798920 (E_RNA) where: Base-Base interactions energy: -1481.548 where: short stacking energy: -631.491 Base-Backbone interact. energy: -1.452 local terms energy: -627.798180 where: bonds (distance) C4'-P energy: -124.572 bonds (distance) P-C4' energy: -106.916 flat angles C4'-P-C4' energy: -132.941 flat angles P-C4'-P energy: -85.860 tors. eta vs tors. theta energy: -177.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2008.788216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.788216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.788216 (E_RNA) where: Base-Base interactions energy: -1425.684 where: short stacking energy: -605.180 Base-Backbone interact. energy: 3.669 local terms energy: -586.773250 where: bonds (distance) C4'-P energy: -116.088 bonds (distance) P-C4' energy: -105.663 flat angles C4'-P-C4' energy: -131.307 flat angles P-C4'-P energy: -69.263 tors. eta vs tors. theta energy: -164.453 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: 7 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1919.434901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.434901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.434901 (E_RNA) where: Base-Base interactions energy: -1329.028 where: short stacking energy: -575.049 Base-Backbone interact. energy: -0.197 local terms energy: -590.210119 where: bonds (distance) C4'-P energy: -110.762 bonds (distance) P-C4' energy: -113.136 flat angles C4'-P-C4' energy: -124.261 flat angles P-C4'-P energy: -80.387 tors. eta vs tors. theta energy: -161.664 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: 390 Temperature: 1.150000 Total energy: -1861.071239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.071239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.071239 (E_RNA) where: Base-Base interactions energy: -1284.426 where: short stacking energy: -526.693 Base-Backbone interact. energy: -3.082 local terms energy: -573.563323 where: bonds (distance) C4'-P energy: -99.385 bonds (distance) P-C4' energy: -119.182 flat angles C4'-P-C4' energy: -127.458 flat angles P-C4'-P energy: -75.290 tors. eta vs tors. theta energy: -152.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1608.375083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.375083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.375083 (E_RNA) where: Base-Base interactions energy: -1108.200 where: short stacking energy: -472.930 Base-Backbone interact. energy: -0.458 local terms energy: -499.717315 where: bonds (distance) C4'-P energy: -90.463 bonds (distance) P-C4' energy: -106.458 flat angles C4'-P-C4' energy: -116.449 flat angles P-C4'-P energy: -73.787 tors. eta vs tors. theta energy: -112.561 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: 8 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1437.999901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.999901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.999901 (E_RNA) where: Base-Base interactions energy: -978.617 where: short stacking energy: -443.839 Base-Backbone interact. energy: 5.407 local terms energy: -464.789534 where: bonds (distance) C4'-P energy: -104.315 bonds (distance) P-C4' energy: -82.754 flat angles C4'-P-C4' energy: -116.816 flat angles P-C4'-P energy: -65.509 tors. eta vs tors. theta energy: -95.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -997.968888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.968888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.968888 (E_RNA) where: Base-Base interactions energy: -584.272 where: short stacking energy: -307.297 Base-Backbone interact. energy: 4.112 local terms energy: -417.808261 where: bonds (distance) C4'-P energy: -89.598 bonds (distance) P-C4' energy: -107.397 flat angles C4'-P-C4' energy: -104.889 flat angles P-C4'-P energy: -56.001 tors. eta vs tors. theta energy: -59.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -800.018879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.018879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.018879 (E_RNA) where: Base-Base interactions energy: -463.374 where: short stacking energy: -246.261 Base-Backbone interact. energy: -1.020 local terms energy: -335.625415 where: bonds (distance) C4'-P energy: -91.287 bonds (distance) P-C4' energy: -104.634 flat angles C4'-P-C4' energy: -88.239 flat angles P-C4'-P energy: -48.593 tors. eta vs tors. theta energy: -2.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2245.956618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.956618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.956618 (E_RNA) where: Base-Base interactions energy: -1581.866 where: short stacking energy: -679.193 Base-Backbone interact. energy: -1.472 local terms energy: -662.618517 where: bonds (distance) C4'-P energy: -116.165 bonds (distance) P-C4' energy: -114.551 flat angles C4'-P-C4' energy: -135.320 flat angles P-C4'-P energy: -92.357 tors. eta vs tors. theta energy: -204.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2121.428907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.428907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.428907 (E_RNA) where: Base-Base interactions energy: -1491.235 where: short stacking energy: -631.126 Base-Backbone interact. energy: 3.445 local terms energy: -633.639345 where: bonds (distance) C4'-P energy: -115.120 bonds (distance) P-C4' energy: -117.647 flat angles C4'-P-C4' energy: -133.193 flat angles P-C4'-P energy: -95.424 tors. eta vs tors. theta energy: -172.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2084.826381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.826381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.826381 (E_RNA) where: Base-Base interactions energy: -1464.419 where: short stacking energy: -648.661 Base-Backbone interact. energy: -2.988 local terms energy: -617.419414 where: bonds (distance) C4'-P energy: -98.532 bonds (distance) P-C4' energy: -104.361 flat angles C4'-P-C4' energy: -136.218 flat angles P-C4'-P energy: -94.614 tors. eta vs tors. theta energy: -183.694 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: 2 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2026.617437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.617437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.617437 (E_RNA) where: Base-Base interactions energy: -1402.076 where: short stacking energy: -597.518 Base-Backbone interact. energy: -1.089 local terms energy: -623.452788 where: bonds (distance) C4'-P energy: -113.483 bonds (distance) P-C4' energy: -119.719 flat angles C4'-P-C4' energy: -142.163 flat angles P-C4'-P energy: -84.787 tors. eta vs tors. theta energy: -163.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1921.585668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.585668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.585668 (E_RNA) where: Base-Base interactions energy: -1307.045 where: short stacking energy: -566.767 Base-Backbone interact. energy: 0.876 local terms energy: -615.416066 where: bonds (distance) C4'-P energy: -118.819 bonds (distance) P-C4' energy: -111.197 flat angles C4'-P-C4' energy: -124.263 flat angles P-C4'-P energy: -94.690 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: 391 Temperature: 1.150000 Total energy: -1813.959809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.959809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.959809 (E_RNA) where: Base-Base interactions energy: -1253.176 where: short stacking energy: -518.748 Base-Backbone interact. energy: -2.567 local terms energy: -558.217227 where: bonds (distance) C4'-P energy: -96.149 bonds (distance) P-C4' energy: -114.005 flat angles C4'-P-C4' energy: -125.203 flat angles P-C4'-P energy: -72.694 tors. eta vs tors. theta energy: -150.167 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: 1 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1609.414747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.414747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.414747 (E_RNA) where: Base-Base interactions energy: -1103.276 where: short stacking energy: -470.924 Base-Backbone interact. energy: 0.188 local terms energy: -506.326872 where: bonds (distance) C4'-P energy: -107.478 bonds (distance) P-C4' energy: -89.691 flat angles C4'-P-C4' energy: -125.749 flat angles P-C4'-P energy: -58.219 tors. eta vs tors. theta energy: -125.190 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: 8 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1377.314879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.314879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.314879 (E_RNA) where: Base-Base interactions energy: -926.675 where: short stacking energy: -400.079 Base-Backbone interact. energy: -2.150 local terms energy: -448.489576 where: bonds (distance) C4'-P energy: -83.869 bonds (distance) P-C4' energy: -116.902 flat angles C4'-P-C4' energy: -97.203 flat angles P-C4'-P energy: -72.436 tors. eta vs tors. theta energy: -78.080 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: 391 Temperature: 1.300000 Total energy: -1032.593852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.593852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.593852 (E_RNA) where: Base-Base interactions energy: -620.318 where: short stacking energy: -302.311 Base-Backbone interact. energy: -5.147 local terms energy: -407.129001 where: bonds (distance) C4'-P energy: -102.970 bonds (distance) P-C4' energy: -115.712 flat angles C4'-P-C4' energy: -99.002 flat angles P-C4'-P energy: -50.142 tors. eta vs tors. theta energy: -39.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -779.490825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.490825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.490825 (E_RNA) where: Base-Base interactions energy: -402.774 where: short stacking energy: -233.054 Base-Backbone interact. energy: -0.090 local terms energy: -376.626183 where: bonds (distance) C4'-P energy: -93.263 bonds (distance) P-C4' energy: -107.497 flat angles C4'-P-C4' energy: -95.352 flat angles P-C4'-P energy: -56.355 tors. eta vs tors. theta energy: -24.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2237.898150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.898150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.898150 (E_RNA) where: Base-Base interactions energy: -1557.655 where: short stacking energy: -649.433 Base-Backbone interact. energy: -5.524 local terms energy: -674.719647 where: bonds (distance) C4'-P energy: -123.792 bonds (distance) P-C4' energy: -127.480 flat angles C4'-P-C4' energy: -137.400 flat angles P-C4'-P energy: -91.848 tors. eta vs tors. theta energy: -194.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2148.535265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.535265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.535265 (E_RNA) where: Base-Base interactions energy: -1499.328 where: short stacking energy: -613.440 Base-Backbone interact. energy: -2.826 local terms energy: -646.380864 where: bonds (distance) C4'-P energy: -138.210 bonds (distance) P-C4' energy: -117.298 flat angles C4'-P-C4' energy: -127.549 flat angles P-C4'-P energy: -94.074 tors. eta vs tors. theta energy: -169.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2085.395089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.395089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.395089 (E_RNA) where: Base-Base interactions energy: -1458.445 where: short stacking energy: -606.165 Base-Backbone interact. energy: -2.772 local terms energy: -624.178105 where: bonds (distance) C4'-P energy: -104.611 bonds (distance) P-C4' energy: -112.877 flat angles C4'-P-C4' energy: -130.988 flat angles P-C4'-P energy: -90.841 tors. eta vs tors. theta energy: -184.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1988.452209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.452209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.452209 (E_RNA) where: Base-Base interactions energy: -1407.123 where: short stacking energy: -625.621 Base-Backbone interact. energy: -3.594 local terms energy: -577.735419 where: bonds (distance) C4'-P energy: -86.832 bonds (distance) P-C4' energy: -115.837 flat angles C4'-P-C4' energy: -122.560 flat angles P-C4'-P energy: -75.477 tors. eta vs tors. theta energy: -177.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1907.490318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.490318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.490318 (E_RNA) where: Base-Base interactions energy: -1321.026 where: short stacking energy: -568.889 Base-Backbone interact. energy: -1.296 local terms energy: -585.167902 where: bonds (distance) C4'-P energy: -111.342 bonds (distance) P-C4' energy: -106.605 flat angles C4'-P-C4' energy: -121.212 flat angles P-C4'-P energy: -80.966 tors. eta vs tors. theta energy: -165.043 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: 392 Temperature: 1.150000 Total energy: -1809.373123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.373123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.373123 (E_RNA) where: Base-Base interactions energy: -1285.045 where: short stacking energy: -527.515 Base-Backbone interact. energy: 0.710 local terms energy: -525.037912 where: bonds (distance) C4'-P energy: -92.321 bonds (distance) P-C4' energy: -105.821 flat angles C4'-P-C4' energy: -116.032 flat angles P-C4'-P energy: -70.045 tors. eta vs tors. theta energy: -140.818 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: 1 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1638.199167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.199167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.199167 (E_RNA) where: Base-Base interactions energy: -1119.769 where: short stacking energy: -481.309 Base-Backbone interact. energy: -3.439 local terms energy: -514.990716 where: bonds (distance) C4'-P energy: -102.529 bonds (distance) P-C4' energy: -104.467 flat angles C4'-P-C4' energy: -105.120 flat angles P-C4'-P energy: -70.879 tors. eta vs tors. theta energy: -131.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1416.594825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.594825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.594825 (E_RNA) where: Base-Base interactions energy: -954.042 where: short stacking energy: -407.528 Base-Backbone interact. energy: -0.974 local terms energy: -461.578369 where: bonds (distance) C4'-P energy: -92.462 bonds (distance) P-C4' energy: -88.205 flat angles C4'-P-C4' energy: -105.119 flat angles P-C4'-P energy: -85.178 tors. eta vs tors. theta energy: -90.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1034.455041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.455041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.455041 (E_RNA) where: Base-Base interactions energy: -621.241 where: short stacking energy: -314.184 Base-Backbone interact. energy: 0.746 local terms energy: -413.960572 where: bonds (distance) C4'-P energy: -98.500 bonds (distance) P-C4' energy: -98.506 flat angles C4'-P-C4' energy: -92.748 flat angles P-C4'-P energy: -66.208 tors. eta vs tors. theta energy: -57.998 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: 10, replica: 4 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -820.282271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.282271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.282271 (E_RNA) where: Base-Base interactions energy: -449.137 where: short stacking energy: -220.017 Base-Backbone interact. energy: 4.315 local terms energy: -375.460093 where: bonds (distance) C4'-P energy: -90.608 bonds (distance) P-C4' energy: -114.298 flat angles C4'-P-C4' energy: -82.483 flat angles P-C4'-P energy: -54.729 tors. eta vs tors. theta energy: -33.343 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: 1, replica: 10 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2244.547636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.547636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.547636 (E_RNA) where: Base-Base interactions energy: -1579.606 where: short stacking energy: -669.493 Base-Backbone interact. energy: -1.556 local terms energy: -663.386141 where: bonds (distance) C4'-P energy: -112.096 bonds (distance) P-C4' energy: -113.290 flat angles C4'-P-C4' energy: -144.810 flat angles P-C4'-P energy: -92.960 tors. eta vs tors. theta energy: -200.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2156.198030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.198030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.198030 (E_RNA) where: Base-Base interactions energy: -1518.997 where: short stacking energy: -628.052 Base-Backbone interact. energy: -1.001 local terms energy: -636.200644 where: bonds (distance) C4'-P energy: -103.428 bonds (distance) P-C4' energy: -124.289 flat angles C4'-P-C4' energy: -144.471 flat angles P-C4'-P energy: -79.645 tors. eta vs tors. theta energy: -184.367 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: 6 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2096.190361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.190361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.190361 (E_RNA) where: Base-Base interactions energy: -1456.923 where: short stacking energy: -634.996 Base-Backbone interact. energy: 0.116 local terms energy: -639.383221 where: bonds (distance) C4'-P energy: -116.312 bonds (distance) P-C4' energy: -109.818 flat angles C4'-P-C4' energy: -133.241 flat angles P-C4'-P energy: -92.119 tors. eta vs tors. theta energy: -187.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2013.425897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.425897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.425897 (E_RNA) where: Base-Base interactions energy: -1412.154 where: short stacking energy: -595.604 Base-Backbone interact. energy: -3.541 local terms energy: -597.730827 where: bonds (distance) C4'-P energy: -105.761 bonds (distance) P-C4' energy: -119.644 flat angles C4'-P-C4' energy: -121.538 flat angles P-C4'-P energy: -88.023 tors. eta vs tors. theta energy: -162.765 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: 7 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1900.961073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.961073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.961073 (E_RNA) where: Base-Base interactions energy: -1301.579 where: short stacking energy: -536.722 Base-Backbone interact. energy: -3.180 local terms energy: -596.202027 where: bonds (distance) C4'-P energy: -100.415 bonds (distance) P-C4' energy: -112.308 flat angles C4'-P-C4' energy: -131.723 flat angles P-C4'-P energy: -89.088 tors. eta vs tors. theta energy: -162.669 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: 5 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1804.405494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.405494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.405494 (E_RNA) where: Base-Base interactions energy: -1268.700 where: short stacking energy: -531.029 Base-Backbone interact. energy: -1.876 local terms energy: -533.829847 where: bonds (distance) C4'-P energy: -101.218 bonds (distance) P-C4' energy: -111.196 flat angles C4'-P-C4' energy: -106.771 flat angles P-C4'-P energy: -68.236 tors. eta vs tors. theta energy: -146.408 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: 1 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1673.504249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.504249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.504249 (E_RNA) where: Base-Base interactions energy: -1159.368 where: short stacking energy: -475.370 Base-Backbone interact. energy: 0.755 local terms energy: -514.891321 where: bonds (distance) C4'-P energy: -102.920 bonds (distance) P-C4' energy: -97.543 flat angles C4'-P-C4' energy: -117.193 flat angles P-C4'-P energy: -72.644 tors. eta vs tors. theta energy: -124.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1459.732670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.732670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.732670 (E_RNA) where: Base-Base interactions energy: -955.385 where: short stacking energy: -413.740 Base-Backbone interact. energy: -3.746 local terms energy: -500.601175 where: bonds (distance) C4'-P energy: -98.802 bonds (distance) P-C4' energy: -109.141 flat angles C4'-P-C4' energy: -127.805 flat angles P-C4'-P energy: -68.701 tors. eta vs tors. theta energy: -96.153 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: 9, replica: 9 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1061.123640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.123640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.123640 (E_RNA) where: Base-Base interactions energy: -650.854 where: short stacking energy: -326.428 Base-Backbone interact. energy: 3.318 local terms energy: -413.587462 where: bonds (distance) C4'-P energy: -98.709 bonds (distance) P-C4' energy: -98.227 flat angles C4'-P-C4' energy: -102.456 flat angles P-C4'-P energy: -64.525 tors. eta vs tors. theta energy: -49.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -863.322070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.322070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.322070 (E_RNA) where: Base-Base interactions energy: -484.910 where: short stacking energy: -263.309 Base-Backbone interact. energy: 1.552 local terms energy: -379.964070 where: bonds (distance) C4'-P energy: -98.672 bonds (distance) P-C4' energy: -113.653 flat angles C4'-P-C4' energy: -86.152 flat angles P-C4'-P energy: -38.000 tors. eta vs tors. theta energy: -43.487 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: 1, replica: 10 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2246.712087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.712087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.712087 (E_RNA) where: Base-Base interactions energy: -1581.111 where: short stacking energy: -675.842 Base-Backbone interact. energy: -0.688 local terms energy: -664.912829 where: bonds (distance) C4'-P energy: -115.294 bonds (distance) P-C4' energy: -126.755 flat angles C4'-P-C4' energy: -136.781 flat angles P-C4'-P energy: -94.204 tors. eta vs tors. theta energy: -191.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2171.100018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.100018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.100018 (E_RNA) where: Base-Base interactions energy: -1521.749 where: short stacking energy: -632.548 Base-Backbone interact. energy: 1.453 local terms energy: -650.803554 where: bonds (distance) C4'-P energy: -113.008 bonds (distance) P-C4' energy: -131.803 flat angles C4'-P-C4' energy: -136.650 flat angles P-C4'-P energy: -92.859 tors. eta vs tors. theta energy: -176.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2102.132543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.132543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.132543 (E_RNA) where: Base-Base interactions energy: -1464.577 where: short stacking energy: -628.451 Base-Backbone interact. energy: -2.677 local terms energy: -634.878745 where: bonds (distance) C4'-P energy: -123.439 bonds (distance) P-C4' energy: -109.002 flat angles C4'-P-C4' energy: -129.835 flat angles P-C4'-P energy: -84.051 tors. eta vs tors. theta energy: -188.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2048.557831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.557831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.557831 (E_RNA) where: Base-Base interactions energy: -1414.839 where: short stacking energy: -602.784 Base-Backbone interact. energy: -0.231 local terms energy: -633.487720 where: bonds (distance) C4'-P energy: -117.271 bonds (distance) P-C4' energy: -122.903 flat angles C4'-P-C4' energy: -131.542 flat angles P-C4'-P energy: -86.868 tors. eta vs tors. theta energy: -174.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1931.372339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.372339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.372339 (E_RNA) where: Base-Base interactions energy: -1332.727 where: short stacking energy: -578.438 Base-Backbone interact. energy: -0.569 local terms energy: -598.076239 where: bonds (distance) C4'-P energy: -100.928 bonds (distance) P-C4' energy: -119.798 flat angles C4'-P-C4' energy: -125.947 flat angles P-C4'-P energy: -84.390 tors. eta vs tors. theta energy: -167.013 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: 6, replica: 5 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1816.427200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.427200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.427200 (E_RNA) where: Base-Base interactions energy: -1261.848 where: short stacking energy: -513.077 Base-Backbone interact. energy: -4.871 local terms energy: -549.708632 where: bonds (distance) C4'-P energy: -105.120 bonds (distance) P-C4' energy: -112.214 flat angles C4'-P-C4' energy: -126.753 flat angles P-C4'-P energy: -64.420 tors. eta vs tors. theta energy: -141.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1665.705437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.705437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.705437 (E_RNA) where: Base-Base interactions energy: -1152.579 where: short stacking energy: -508.754 Base-Backbone interact. energy: -2.718 local terms energy: -510.408450 where: bonds (distance) C4'-P energy: -79.990 bonds (distance) P-C4' energy: -95.934 flat angles C4'-P-C4' energy: -116.794 flat angles P-C4'-P energy: -78.352 tors. eta vs tors. theta energy: -139.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1388.601083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.601083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.601083 (E_RNA) where: Base-Base interactions energy: -940.817 where: short stacking energy: -402.800 Base-Backbone interact. energy: -0.275 local terms energy: -447.509282 where: bonds (distance) C4'-P energy: -102.672 bonds (distance) P-C4' energy: -106.557 flat angles C4'-P-C4' energy: -96.624 flat angles P-C4'-P energy: -48.630 tors. eta vs tors. theta energy: -93.026 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: 394 Temperature: 1.300000 Total energy: -989.373658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.373658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.373658 (E_RNA) where: Base-Base interactions energy: -612.697 where: short stacking energy: -294.730 Base-Backbone interact. energy: -0.714 local terms energy: -375.962629 where: bonds (distance) C4'-P energy: -100.120 bonds (distance) P-C4' energy: -100.634 flat angles C4'-P-C4' energy: -84.471 flat angles P-C4'-P energy: -51.418 tors. eta vs tors. theta energy: -39.320 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: 4 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -812.992789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.992789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.992789 (E_RNA) where: Base-Base interactions energy: -469.380 where: short stacking energy: -258.842 Base-Backbone interact. energy: 5.335 local terms energy: -348.947786 where: bonds (distance) C4'-P energy: -97.970 bonds (distance) P-C4' energy: -99.621 flat angles C4'-P-C4' energy: -86.995 flat angles P-C4'-P energy: -52.524 tors. eta vs tors. theta energy: -11.838 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: 1, replica: 10 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2250.895669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.895669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.895669 (E_RNA) where: Base-Base interactions energy: -1586.620 where: short stacking energy: -656.344 Base-Backbone interact. energy: -1.202 local terms energy: -663.074486 where: bonds (distance) C4'-P energy: -110.522 bonds (distance) P-C4' energy: -112.409 flat angles C4'-P-C4' energy: -150.875 flat angles P-C4'-P energy: -94.270 tors. eta vs tors. theta energy: -194.999 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: 3 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2135.018976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.018976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.018976 (E_RNA) where: Base-Base interactions energy: -1506.795 where: short stacking energy: -625.512 Base-Backbone interact. energy: -2.114 local terms energy: -626.109778 where: bonds (distance) C4'-P energy: -105.636 bonds (distance) P-C4' energy: -101.357 flat angles C4'-P-C4' energy: -140.880 flat angles P-C4'-P energy: -98.880 tors. eta vs tors. theta energy: -179.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2059.034617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.034617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.034617 (E_RNA) where: Base-Base interactions energy: -1413.775 where: short stacking energy: -623.387 Base-Backbone interact. energy: -2.258 local terms energy: -643.001427 where: bonds (distance) C4'-P energy: -105.870 bonds (distance) P-C4' energy: -125.183 flat angles C4'-P-C4' energy: -133.065 flat angles P-C4'-P energy: -91.601 tors. eta vs tors. theta energy: -187.282 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: 2 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2020.589236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.589236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.589236 (E_RNA) where: Base-Base interactions energy: -1406.201 where: short stacking energy: -606.436 Base-Backbone interact. energy: -4.606 local terms energy: -609.781806 where: bonds (distance) C4'-P energy: -102.314 bonds (distance) P-C4' energy: -116.298 flat angles C4'-P-C4' energy: -135.818 flat angles P-C4'-P energy: -80.325 tors. eta vs tors. theta energy: -175.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1904.534948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.534948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.534948 (E_RNA) where: Base-Base interactions energy: -1322.037 where: short stacking energy: -566.069 Base-Backbone interact. energy: 1.370 local terms energy: -583.867789 where: bonds (distance) C4'-P energy: -101.705 bonds (distance) P-C4' energy: -120.218 flat angles C4'-P-C4' energy: -128.985 flat angles P-C4'-P energy: -83.439 tors. eta vs tors. theta energy: -149.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1807.814043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.814043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.814043 (E_RNA) where: Base-Base interactions energy: -1264.381 where: short stacking energy: -531.381 Base-Backbone interact. energy: -3.310 local terms energy: -540.123669 where: bonds (distance) C4'-P energy: -98.233 bonds (distance) P-C4' energy: -104.789 flat angles C4'-P-C4' energy: -126.176 flat angles P-C4'-P energy: -73.376 tors. eta vs tors. theta energy: -137.549 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: 1 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1647.075854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.075854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.075854 (E_RNA) where: Base-Base interactions energy: -1143.709 where: short stacking energy: -494.646 Base-Backbone interact. energy: 0.033 local terms energy: -503.400109 where: bonds (distance) C4'-P energy: -107.552 bonds (distance) P-C4' energy: -83.696 flat angles C4'-P-C4' energy: -115.448 flat angles P-C4'-P energy: -69.438 tors. eta vs tors. theta energy: -127.265 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: 8, replica: 8 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1407.598896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.598896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.598896 (E_RNA) where: Base-Base interactions energy: -950.621 where: short stacking energy: -413.319 Base-Backbone interact. energy: -1.291 local terms energy: -455.687078 where: bonds (distance) C4'-P energy: -96.323 bonds (distance) P-C4' energy: -105.057 flat angles C4'-P-C4' energy: -104.433 flat angles P-C4'-P energy: -64.748 tors. eta vs tors. theta energy: -85.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1032.450804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.450804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.450804 (E_RNA) where: Base-Base interactions energy: -629.232 where: short stacking energy: -313.619 Base-Backbone interact. energy: -2.094 local terms energy: -401.125075 where: bonds (distance) C4'-P energy: -89.952 bonds (distance) P-C4' energy: -122.811 flat angles C4'-P-C4' energy: -96.642 flat angles P-C4'-P energy: -45.772 tors. eta vs tors. theta energy: -45.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -873.328790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.328790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.328790 (E_RNA) where: Base-Base interactions energy: -529.986 where: short stacking energy: -249.371 Base-Backbone interact. energy: 4.200 local terms energy: -347.543096 where: bonds (distance) C4'-P energy: -100.514 bonds (distance) P-C4' energy: -96.661 flat angles C4'-P-C4' energy: -90.362 flat angles P-C4'-P energy: -55.687 tors. eta vs tors. theta energy: -4.318 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: 10 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2269.445885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.445885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.445885 (E_RNA) where: Base-Base interactions energy: -1600.429 where: short stacking energy: -669.017 Base-Backbone interact. energy: -2.127 local terms energy: -666.889979 where: bonds (distance) C4'-P energy: -112.762 bonds (distance) P-C4' energy: -125.875 flat angles C4'-P-C4' energy: -141.987 flat angles P-C4'-P energy: -96.180 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: 2, replica: 3 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2128.138916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.138916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.138916 (E_RNA) where: Base-Base interactions energy: -1489.270 where: short stacking energy: -631.174 Base-Backbone interact. energy: -0.006 local terms energy: -638.863177 where: bonds (distance) C4'-P energy: -116.297 bonds (distance) P-C4' energy: -114.204 flat angles C4'-P-C4' energy: -134.345 flat angles P-C4'-P energy: -97.449 tors. eta vs tors. theta energy: -176.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2116.987095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.987095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.987095 (E_RNA) where: Base-Base interactions energy: -1492.458 where: short stacking energy: -652.233 Base-Backbone interact. energy: 0.466 local terms energy: -624.994645 where: bonds (distance) C4'-P energy: -113.326 bonds (distance) P-C4' energy: -118.208 flat angles C4'-P-C4' energy: -131.114 flat angles P-C4'-P energy: -75.618 tors. eta vs tors. theta energy: -186.729 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: 396 Temperature: 1.050000 Total energy: -1933.660070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.660070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.660070 (E_RNA) where: Base-Base interactions energy: -1341.275 where: short stacking energy: -574.858 Base-Backbone interact. energy: -6.980 local terms energy: -585.404299 where: bonds (distance) C4'-P energy: -112.704 bonds (distance) P-C4' energy: -88.770 flat angles C4'-P-C4' energy: -132.219 flat angles P-C4'-P energy: -83.847 tors. eta vs tors. theta energy: -167.865 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: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1907.745684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.745684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.745684 (E_RNA) where: Base-Base interactions energy: -1322.756 where: short stacking energy: -538.590 Base-Backbone interact. energy: -2.237 local terms energy: -582.752727 where: bonds (distance) C4'-P energy: -112.446 bonds (distance) P-C4' energy: -121.421 flat angles C4'-P-C4' energy: -120.439 flat angles P-C4'-P energy: -79.210 tors. eta vs tors. theta energy: -149.236 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: 6, replica: 7 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1820.533156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.533156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.533156 (E_RNA) where: Base-Base interactions energy: -1249.133 where: short stacking energy: -515.297 Base-Backbone interact. energy: 2.274 local terms energy: -573.673987 where: bonds (distance) C4'-P energy: -111.547 bonds (distance) P-C4' energy: -116.146 flat angles C4'-P-C4' energy: -122.474 flat angles P-C4'-P energy: -72.556 tors. eta vs tors. theta energy: -150.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1610.578838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.578838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.578838 (E_RNA) where: Base-Base interactions energy: -1111.653 where: short stacking energy: -471.553 Base-Backbone interact. energy: 0.327 local terms energy: -499.253284 where: bonds (distance) C4'-P energy: -95.325 bonds (distance) P-C4' energy: -93.931 flat angles C4'-P-C4' energy: -119.032 flat angles P-C4'-P energy: -74.248 tors. eta vs tors. theta energy: -116.716 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: 8, replica: 8 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1457.475906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.475906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.475906 (E_RNA) where: Base-Base interactions energy: -986.069 where: short stacking energy: -392.012 Base-Backbone interact. energy: 2.821 local terms energy: -474.227452 where: bonds (distance) C4'-P energy: -107.805 bonds (distance) P-C4' energy: -97.908 flat angles C4'-P-C4' energy: -119.741 flat angles P-C4'-P energy: -62.743 tors. eta vs tors. theta energy: -86.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1075.987615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.987615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.987615 (E_RNA) where: Base-Base interactions energy: -679.394 where: short stacking energy: -327.474 Base-Backbone interact. energy: -1.910 local terms energy: -394.683482 where: bonds (distance) C4'-P energy: -102.479 bonds (distance) P-C4' energy: -110.104 flat angles C4'-P-C4' energy: -85.630 flat angles P-C4'-P energy: -54.457 tors. eta vs tors. theta energy: -42.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -823.394259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.394259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.394259 (E_RNA) where: Base-Base interactions energy: -450.504 where: short stacking energy: -250.070 Base-Backbone interact. energy: -2.706 local terms energy: -370.183517 where: bonds (distance) C4'-P energy: -95.591 bonds (distance) P-C4' energy: -91.547 flat angles C4'-P-C4' energy: -91.783 flat angles P-C4'-P energy: -74.079 tors. eta vs tors. theta energy: -17.182 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: 10 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2230.184503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.184503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.184503 (E_RNA) where: Base-Base interactions energy: -1572.505 where: short stacking energy: -662.911 Base-Backbone interact. energy: -0.385 local terms energy: -657.294112 where: bonds (distance) C4'-P energy: -120.011 bonds (distance) P-C4' energy: -125.348 flat angles C4'-P-C4' energy: -123.529 flat angles P-C4'-P energy: -97.448 tors. eta vs tors. theta energy: -190.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2122.673135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.673135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.673135 (E_RNA) where: Base-Base interactions energy: -1504.367 where: short stacking energy: -641.620 Base-Backbone interact. energy: -2.015 local terms energy: -616.290676 where: bonds (distance) C4'-P energy: -115.265 bonds (distance) P-C4' energy: -113.598 flat angles C4'-P-C4' energy: -127.325 flat angles P-C4'-P energy: -87.975 tors. eta vs tors. theta energy: -172.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2112.270811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.270811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.270811 (E_RNA) where: Base-Base interactions energy: -1460.371 where: short stacking energy: -642.234 Base-Backbone interact. energy: -2.202 local terms energy: -649.697449 where: bonds (distance) C4'-P energy: -115.548 bonds (distance) P-C4' energy: -119.639 flat angles C4'-P-C4' energy: -138.514 flat angles P-C4'-P energy: -90.176 tors. eta vs tors. theta energy: -185.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1993.083508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.083508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.083508 (E_RNA) where: Base-Base interactions energy: -1388.050 where: short stacking energy: -578.353 Base-Backbone interact. energy: -5.701 local terms energy: -599.332737 where: bonds (distance) C4'-P energy: -106.343 bonds (distance) P-C4' energy: -117.629 flat angles C4'-P-C4' energy: -125.755 flat angles P-C4'-P energy: -73.992 tors. eta vs tors. theta energy: -175.614 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: 2 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1905.084985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.084985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.084985 (E_RNA) where: Base-Base interactions energy: -1302.977 where: short stacking energy: -568.219 Base-Backbone interact. energy: -1.900 local terms energy: -600.207945 where: bonds (distance) C4'-P energy: -100.641 bonds (distance) P-C4' energy: -113.830 flat angles C4'-P-C4' energy: -130.166 flat angles P-C4'-P energy: -87.936 tors. eta vs tors. theta energy: -167.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1859.393812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.393812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.393812 (E_RNA) where: Base-Base interactions energy: -1302.567 where: short stacking energy: -539.936 Base-Backbone interact. energy: 1.541 local terms energy: -558.368032 where: bonds (distance) C4'-P energy: -100.052 bonds (distance) P-C4' energy: -105.212 flat angles C4'-P-C4' energy: -124.453 flat angles P-C4'-P energy: -73.225 tors. eta vs tors. theta energy: -155.425 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: 7, replica: 1 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1595.440416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.440416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.440416 (E_RNA) where: Base-Base interactions energy: -1087.857 where: short stacking energy: -462.503 Base-Backbone interact. energy: -1.006 local terms energy: -506.577217 where: bonds (distance) C4'-P energy: -103.632 bonds (distance) P-C4' energy: -105.819 flat angles C4'-P-C4' energy: -118.038 flat angles P-C4'-P energy: -66.829 tors. eta vs tors. theta energy: -112.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1492.883367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.883367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.883367 (E_RNA) where: Base-Base interactions energy: -1008.632 where: short stacking energy: -457.245 Base-Backbone interact. energy: -1.733 local terms energy: -482.517802 where: bonds (distance) C4'-P energy: -96.831 bonds (distance) P-C4' energy: -115.518 flat angles C4'-P-C4' energy: -96.722 flat angles P-C4'-P energy: -57.641 tors. eta vs tors. theta energy: -115.806 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: 9 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1010.256817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.256817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.256817 (E_RNA) where: Base-Base interactions energy: -619.956 where: short stacking energy: -293.436 Base-Backbone interact. energy: 0.767 local terms energy: -391.067730 where: bonds (distance) C4'-P energy: -96.552 bonds (distance) P-C4' energy: -96.492 flat angles C4'-P-C4' energy: -93.176 flat angles P-C4'-P energy: -54.816 tors. eta vs tors. theta energy: -50.032 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: 4 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -816.384568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.384568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.384568 (E_RNA) where: Base-Base interactions energy: -458.297 where: short stacking energy: -242.862 Base-Backbone interact. energy: -1.625 local terms energy: -356.462439 where: bonds (distance) C4'-P energy: -75.385 bonds (distance) P-C4' energy: -113.262 flat angles C4'-P-C4' energy: -86.795 flat angles P-C4'-P energy: -55.354 tors. eta vs tors. theta energy: -25.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2240.906229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.906229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.906229 (E_RNA) where: Base-Base interactions energy: -1552.097 where: short stacking energy: -653.512 Base-Backbone interact. energy: -1.691 local terms energy: -687.119106 where: bonds (distance) C4'-P energy: -127.956 bonds (distance) P-C4' energy: -120.838 flat angles C4'-P-C4' energy: -147.379 flat angles P-C4'-P energy: -91.763 tors. eta vs tors. theta energy: -199.184 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: 3 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2132.958413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.958413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.958413 (E_RNA) where: Base-Base interactions energy: -1473.810 where: short stacking energy: -615.179 Base-Backbone interact. energy: -3.517 local terms energy: -655.632096 where: bonds (distance) C4'-P energy: -129.480 bonds (distance) P-C4' energy: -120.068 flat angles C4'-P-C4' energy: -130.288 flat angles P-C4'-P energy: -97.954 tors. eta vs tors. theta energy: -177.842 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: 6 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2105.602354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.602354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.602354 (E_RNA) where: Base-Base interactions energy: -1482.955 where: short stacking energy: -631.891 Base-Backbone interact. energy: -0.666 local terms energy: -621.981126 where: bonds (distance) C4'-P energy: -120.274 bonds (distance) P-C4' energy: -116.052 flat angles C4'-P-C4' energy: -115.513 flat angles P-C4'-P energy: -87.377 tors. eta vs tors. theta energy: -182.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1986.011105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.011105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.011105 (E_RNA) where: Base-Base interactions energy: -1430.846 where: short stacking energy: -579.858 Base-Backbone interact. energy: -2.494 local terms energy: -552.670730 where: bonds (distance) C4'-P energy: -98.782 bonds (distance) P-C4' energy: -99.984 flat angles C4'-P-C4' energy: -108.828 flat angles P-C4'-P energy: -75.484 tors. eta vs tors. theta energy: -169.592 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: 2 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1876.692614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.692614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.692614 (E_RNA) where: Base-Base interactions energy: -1301.431 where: short stacking energy: -558.110 Base-Backbone interact. energy: -1.695 local terms energy: -573.567033 where: bonds (distance) C4'-P energy: -107.299 bonds (distance) P-C4' energy: -112.774 flat angles C4'-P-C4' energy: -121.975 flat angles P-C4'-P energy: -82.723 tors. eta vs tors. theta energy: -148.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1772.891121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.891121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.891121 (E_RNA) where: Base-Base interactions energy: -1219.850 where: short stacking energy: -518.208 Base-Backbone interact. energy: -3.040 local terms energy: -550.001188 where: bonds (distance) C4'-P energy: -103.884 bonds (distance) P-C4' energy: -113.636 flat angles C4'-P-C4' energy: -110.198 flat angles P-C4'-P energy: -81.273 tors. eta vs tors. theta energy: -141.011 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: 1 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1615.326459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.326459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.326459 (E_RNA) where: Base-Base interactions energy: -1104.774 where: short stacking energy: -475.802 Base-Backbone interact. energy: -1.142 local terms energy: -509.410471 where: bonds (distance) C4'-P energy: -91.228 bonds (distance) P-C4' energy: -94.739 flat angles C4'-P-C4' energy: -121.564 flat angles P-C4'-P energy: -74.661 tors. eta vs tors. theta energy: -127.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1383.731796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.731796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.731796 (E_RNA) where: Base-Base interactions energy: -929.109 where: short stacking energy: -413.941 Base-Backbone interact. energy: 4.005 local terms energy: -458.627507 where: bonds (distance) C4'-P energy: -98.562 bonds (distance) P-C4' energy: -96.106 flat angles C4'-P-C4' energy: -115.987 flat angles P-C4'-P energy: -54.069 tors. eta vs tors. theta energy: -93.903 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: 9, replica: 9 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -990.605813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.605813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.605813 (E_RNA) where: Base-Base interactions energy: -542.680 where: short stacking energy: -288.165 Base-Backbone interact. energy: -1.234 local terms energy: -446.691825 where: bonds (distance) C4'-P energy: -104.596 bonds (distance) P-C4' energy: -118.893 flat angles C4'-P-C4' energy: -102.874 flat angles P-C4'-P energy: -78.872 tors. eta vs tors. theta energy: -41.456 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: 10, replica: 4 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -813.130422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.130422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.130422 (E_RNA) where: Base-Base interactions energy: -461.661 where: short stacking energy: -251.305 Base-Backbone interact. energy: 2.895 local terms energy: -354.363995 where: bonds (distance) C4'-P energy: -77.206 bonds (distance) P-C4' energy: -108.592 flat angles C4'-P-C4' energy: -87.557 flat angles P-C4'-P energy: -62.488 tors. eta vs tors. theta energy: -18.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2240.226883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.226883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.226883 (E_RNA) where: Base-Base interactions energy: -1560.945 where: short stacking energy: -650.029 Base-Backbone interact. energy: -3.837 local terms energy: -675.444930 where: bonds (distance) C4'-P energy: -121.111 bonds (distance) P-C4' energy: -127.792 flat angles C4'-P-C4' energy: -129.897 flat angles P-C4'-P energy: -95.682 tors. eta vs tors. theta energy: -200.963 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: 3 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2126.112233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.112233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.112233 (E_RNA) where: Base-Base interactions energy: -1489.554 where: short stacking energy: -619.616 Base-Backbone interact. energy: -3.625 local terms energy: -632.933453 where: bonds (distance) C4'-P energy: -105.369 bonds (distance) P-C4' energy: -120.973 flat angles C4'-P-C4' energy: -132.437 flat angles P-C4'-P energy: -95.983 tors. eta vs tors. theta energy: -178.171 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: 6 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2116.081936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.081936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.081936 (E_RNA) where: Base-Base interactions energy: -1474.718 where: short stacking energy: -613.761 Base-Backbone interact. energy: -1.583 local terms energy: -639.781617 where: bonds (distance) C4'-P energy: -116.398 bonds (distance) P-C4' energy: -124.898 flat angles C4'-P-C4' energy: -127.070 flat angles P-C4'-P energy: -88.338 tors. eta vs tors. theta energy: -183.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1978.099891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.099891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.099891 (E_RNA) where: Base-Base interactions energy: -1387.750 where: short stacking energy: -586.654 Base-Backbone interact. energy: -4.424 local terms energy: -585.925136 where: bonds (distance) C4'-P energy: -94.838 bonds (distance) P-C4' energy: -114.737 flat angles C4'-P-C4' energy: -127.582 flat angles P-C4'-P energy: -74.777 tors. eta vs tors. theta energy: -173.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1906.169682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.169682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.169682 (E_RNA) where: Base-Base interactions energy: -1308.946 where: short stacking energy: -570.062 Base-Backbone interact. energy: 2.313 local terms energy: -599.536707 where: bonds (distance) C4'-P energy: -113.845 bonds (distance) P-C4' energy: -104.138 flat angles C4'-P-C4' energy: -135.829 flat angles P-C4'-P energy: -85.903 tors. eta vs tors. theta energy: -159.820 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: 7 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1853.894034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.894034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.894034 (E_RNA) where: Base-Base interactions energy: -1304.151 where: short stacking energy: -545.122 Base-Backbone interact. energy: -2.108 local terms energy: -547.634949 where: bonds (distance) C4'-P energy: -93.740 bonds (distance) P-C4' energy: -102.734 flat angles C4'-P-C4' energy: -129.529 flat angles P-C4'-P energy: -70.630 tors. eta vs tors. theta energy: -151.002 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: 1 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1664.425741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.425741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.425741 (E_RNA) where: Base-Base interactions energy: -1157.859 where: short stacking energy: -503.706 Base-Backbone interact. energy: -1.291 local terms energy: -505.275553 where: bonds (distance) C4'-P energy: -90.144 bonds (distance) P-C4' energy: -100.124 flat angles C4'-P-C4' energy: -126.398 flat angles P-C4'-P energy: -54.424 tors. eta vs tors. theta energy: -134.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1340.677880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.677880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.677880 (E_RNA) where: Base-Base interactions energy: -894.673 where: short stacking energy: -399.764 Base-Backbone interact. energy: 2.539 local terms energy: -448.543785 where: bonds (distance) C4'-P energy: -93.077 bonds (distance) P-C4' energy: -111.409 flat angles C4'-P-C4' energy: -107.926 flat angles P-C4'-P energy: -66.026 tors. eta vs tors. theta energy: -70.106 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: 9, replica: 9 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -958.339648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.339648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.339648 (E_RNA) where: Base-Base interactions energy: -564.942 where: short stacking energy: -292.227 Base-Backbone interact. energy: -3.675 local terms energy: -389.722853 where: bonds (distance) C4'-P energy: -85.072 bonds (distance) P-C4' energy: -97.347 flat angles C4'-P-C4' energy: -102.395 flat angles P-C4'-P energy: -66.090 tors. eta vs tors. theta energy: -38.819 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: 4 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -823.623094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.623094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.623094 (E_RNA) where: Base-Base interactions energy: -473.099 where: short stacking energy: -237.992 Base-Backbone interact. energy: 2.136 local terms energy: -352.660289 where: bonds (distance) C4'-P energy: -88.788 bonds (distance) P-C4' energy: -111.679 flat angles C4'-P-C4' energy: -92.483 flat angles P-C4'-P energy: -44.024 tors. eta vs tors. theta energy: -15.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2242.656869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.656869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.656869 (E_RNA) where: Base-Base interactions energy: -1585.191 where: short stacking energy: -669.552 Base-Backbone interact. energy: -0.047 local terms energy: -657.418758 where: bonds (distance) C4'-P energy: -118.153 bonds (distance) P-C4' energy: -120.881 flat angles C4'-P-C4' energy: -134.330 flat angles P-C4'-P energy: -82.669 tors. eta vs tors. theta energy: -201.385 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: 2, replica: 3 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2141.358216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.358216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.358216 (E_RNA) where: Base-Base interactions energy: -1503.593 where: short stacking energy: -628.885 Base-Backbone interact. energy: -1.785 local terms energy: -635.979890 where: bonds (distance) C4'-P energy: -119.743 bonds (distance) P-C4' energy: -122.152 flat angles C4'-P-C4' energy: -129.869 flat angles P-C4'-P energy: -82.410 tors. eta vs tors. theta energy: -181.805 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: 6 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2113.510488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.510488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.510488 (E_RNA) where: Base-Base interactions energy: -1478.159 where: short stacking energy: -662.470 Base-Backbone interact. energy: -3.843 local terms energy: -631.508383 where: bonds (distance) C4'-P energy: -95.840 bonds (distance) P-C4' energy: -105.304 flat angles C4'-P-C4' energy: -141.554 flat angles P-C4'-P energy: -95.963 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: 4, replica: 5 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1983.714198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.714198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.714198 (E_RNA) where: Base-Base interactions energy: -1392.326 where: short stacking energy: -572.914 Base-Backbone interact. energy: -2.648 local terms energy: -588.740301 where: bonds (distance) C4'-P energy: -98.626 bonds (distance) P-C4' energy: -116.769 flat angles C4'-P-C4' energy: -138.897 flat angles P-C4'-P energy: -68.666 tors. eta vs tors. theta energy: -165.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1920.467835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.467835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.467835 (E_RNA) where: Base-Base interactions energy: -1332.176 where: short stacking energy: -587.300 Base-Backbone interact. energy: -1.500 local terms energy: -586.792052 where: bonds (distance) C4'-P energy: -104.476 bonds (distance) P-C4' energy: -105.171 flat angles C4'-P-C4' energy: -125.954 flat angles P-C4'-P energy: -89.211 tors. eta vs tors. theta energy: -161.980 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: 6, replica: 7 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1847.072694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.072694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.072694 (E_RNA) where: Base-Base interactions energy: -1275.120 where: short stacking energy: -526.565 Base-Backbone interact. energy: -0.783 local terms energy: -571.169429 where: bonds (distance) C4'-P energy: -97.705 bonds (distance) P-C4' energy: -116.452 flat angles C4'-P-C4' energy: -126.976 flat angles P-C4'-P energy: -75.693 tors. eta vs tors. theta energy: -154.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1645.100295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.100295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.100295 (E_RNA) where: Base-Base interactions energy: -1117.315 where: short stacking energy: -482.445 Base-Backbone interact. energy: 0.924 local terms energy: -528.709503 where: bonds (distance) C4'-P energy: -115.046 bonds (distance) P-C4' energy: -101.576 flat angles C4'-P-C4' energy: -103.155 flat angles P-C4'-P energy: -75.430 tors. eta vs tors. theta energy: -133.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1391.403563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.403563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.403563 (E_RNA) where: Base-Base interactions energy: -921.460 where: short stacking energy: -407.390 Base-Backbone interact. energy: -1.160 local terms energy: -468.783778 where: bonds (distance) C4'-P energy: -102.991 bonds (distance) P-C4' energy: -118.858 flat angles C4'-P-C4' energy: -103.175 flat angles P-C4'-P energy: -50.907 tors. eta vs tors. theta energy: -92.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -971.767690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.767690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.767690 (E_RNA) where: Base-Base interactions energy: -574.774 where: short stacking energy: -280.951 Base-Backbone interact. energy: 2.567 local terms energy: -399.561421 where: bonds (distance) C4'-P energy: -102.240 bonds (distance) P-C4' energy: -90.865 flat angles C4'-P-C4' energy: -101.353 flat angles P-C4'-P energy: -56.859 tors. eta vs tors. theta energy: -48.245 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: 10, replica: 4 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -813.006014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.006014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.006014 (E_RNA) where: Base-Base interactions energy: -459.221 where: short stacking energy: -240.191 Base-Backbone interact. energy: -0.766 local terms energy: -353.019032 where: bonds (distance) C4'-P energy: -82.949 bonds (distance) P-C4' energy: -101.031 flat angles C4'-P-C4' energy: -86.649 flat angles P-C4'-P energy: -45.805 tors. eta vs tors. theta energy: -36.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2241.448566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.448566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.448566 (E_RNA) where: Base-Base interactions energy: -1556.865 where: short stacking energy: -684.708 Base-Backbone interact. energy: 2.604 local terms energy: -687.188092 where: bonds (distance) C4'-P energy: -118.130 bonds (distance) P-C4' energy: -126.820 flat angles C4'-P-C4' energy: -147.814 flat angles P-C4'-P energy: -94.255 tors. eta vs tors. theta energy: -200.169 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: 3 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2139.270903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.270903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.270903 (E_RNA) where: Base-Base interactions energy: -1509.845 where: short stacking energy: -631.791 Base-Backbone interact. energy: -3.301 local terms energy: -626.125333 where: bonds (distance) C4'-P energy: -118.930 bonds (distance) P-C4' energy: -115.215 flat angles C4'-P-C4' energy: -133.056 flat angles P-C4'-P energy: -79.406 tors. eta vs tors. theta energy: -179.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2119.258643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.258643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.258643 (E_RNA) where: Base-Base interactions energy: -1482.819 where: short stacking energy: -635.818 Base-Backbone interact. energy: -0.919 local terms energy: -635.520197 where: bonds (distance) C4'-P energy: -108.434 bonds (distance) P-C4' energy: -121.224 flat angles C4'-P-C4' energy: -144.334 flat angles P-C4'-P energy: -74.269 tors. eta vs tors. theta energy: -187.259 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: 5 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2003.898806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.898806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.898806 (E_RNA) where: Base-Base interactions energy: -1406.022 where: short stacking energy: -592.833 Base-Backbone interact. energy: -1.160 local terms energy: -596.716410 where: bonds (distance) C4'-P energy: -113.826 bonds (distance) P-C4' energy: -109.045 flat angles C4'-P-C4' energy: -127.551 flat angles P-C4'-P energy: -82.868 tors. eta vs tors. theta energy: -163.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1898.864401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.864401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.864401 (E_RNA) where: Base-Base interactions energy: -1344.794 where: short stacking energy: -590.074 Base-Backbone interact. energy: -1.473 local terms energy: -552.597887 where: bonds (distance) C4'-P energy: -101.474 bonds (distance) P-C4' energy: -105.451 flat angles C4'-P-C4' energy: -108.060 flat angles P-C4'-P energy: -77.124 tors. eta vs tors. theta energy: -160.489 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: 6, replica: 7 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1843.665536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.665536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.665536 (E_RNA) where: Base-Base interactions energy: -1275.366 where: short stacking energy: -542.546 Base-Backbone interact. energy: -3.134 local terms energy: -565.165571 where: bonds (distance) C4'-P energy: -94.751 bonds (distance) P-C4' energy: -127.519 flat angles C4'-P-C4' energy: -119.702 flat angles P-C4'-P energy: -78.280 tors. eta vs tors. theta energy: -144.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1675.482796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.482796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.482796 (E_RNA) where: Base-Base interactions energy: -1162.272 where: short stacking energy: -497.864 Base-Backbone interact. energy: -0.331 local terms energy: -512.879596 where: bonds (distance) C4'-P energy: -88.296 bonds (distance) P-C4' energy: -105.021 flat angles C4'-P-C4' energy: -106.421 flat angles P-C4'-P energy: -76.169 tors. eta vs tors. theta energy: -136.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1456.507532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.507532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.507532 (E_RNA) where: Base-Base interactions energy: -976.074 where: short stacking energy: -462.718 Base-Backbone interact. energy: -2.614 local terms energy: -477.819758 where: bonds (distance) C4'-P energy: -81.700 bonds (distance) P-C4' energy: -96.442 flat angles C4'-P-C4' energy: -127.817 flat angles P-C4'-P energy: -76.805 tors. eta vs tors. theta energy: -95.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1049.436029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.436029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.436029 (E_RNA) where: Base-Base interactions energy: -620.675 where: short stacking energy: -290.112 Base-Backbone interact. energy: -3.247 local terms energy: -425.513774 where: bonds (distance) C4'-P energy: -95.279 bonds (distance) P-C4' energy: -117.317 flat angles C4'-P-C4' energy: -103.273 flat angles P-C4'-P energy: -69.219 tors. eta vs tors. theta energy: -40.425 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: 4 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -774.168446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.168446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.168446 (E_RNA) where: Base-Base interactions energy: -437.857 where: short stacking energy: -220.140 Base-Backbone interact. energy: -1.676 local terms energy: -334.636052 where: bonds (distance) C4'-P energy: -67.820 bonds (distance) P-C4' energy: -94.502 flat angles C4'-P-C4' energy: -91.874 flat angles P-C4'-P energy: -64.410 tors. eta vs tors. theta energy: -16.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2267.447402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.447402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.447402 (E_RNA) where: Base-Base interactions energy: -1584.933 where: short stacking energy: -669.938 Base-Backbone interact. energy: -2.194 local terms energy: -680.320064 where: bonds (distance) C4'-P energy: -117.424 bonds (distance) P-C4' energy: -126.799 flat angles C4'-P-C4' energy: -144.181 flat angles P-C4'-P energy: -94.546 tors. eta vs tors. theta energy: -197.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2147.295914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.295914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.295914 (E_RNA) where: Base-Base interactions energy: -1520.003 where: short stacking energy: -654.209 Base-Backbone interact. energy: -0.688 local terms energy: -626.605310 where: bonds (distance) C4'-P energy: -110.728 bonds (distance) P-C4' energy: -113.868 flat angles C4'-P-C4' energy: -135.220 flat angles P-C4'-P energy: -79.098 tors. eta vs tors. theta energy: -187.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2134.674567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.674567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.674567 (E_RNA) where: Base-Base interactions energy: -1467.248 where: short stacking energy: -632.999 Base-Backbone interact. energy: -2.357 local terms energy: -665.069331 where: bonds (distance) C4'-P energy: -125.151 bonds (distance) P-C4' energy: -124.099 flat angles C4'-P-C4' energy: -135.611 flat angles P-C4'-P energy: -87.518 tors. eta vs tors. theta energy: -192.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2008.446322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.446322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.446322 (E_RNA) where: Base-Base interactions energy: -1400.357 where: short stacking energy: -584.653 Base-Backbone interact. energy: -2.101 local terms energy: -605.988392 where: bonds (distance) C4'-P energy: -109.699 bonds (distance) P-C4' energy: -124.427 flat angles C4'-P-C4' energy: -128.704 flat angles P-C4'-P energy: -74.662 tors. eta vs tors. theta energy: -168.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1897.267673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.267673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.267673 (E_RNA) where: Base-Base interactions energy: -1294.747 where: short stacking energy: -579.691 Base-Backbone interact. energy: -1.069 local terms energy: -601.451314 where: bonds (distance) C4'-P energy: -109.486 bonds (distance) P-C4' energy: -115.963 flat angles C4'-P-C4' energy: -124.836 flat angles P-C4'-P energy: -87.614 tors. eta vs tors. theta energy: -163.553 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: 7 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1870.480682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.480682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.480682 (E_RNA) where: Base-Base interactions energy: -1325.203 where: short stacking energy: -559.168 Base-Backbone interact. energy: 9.488 local terms energy: -554.766119 where: bonds (distance) C4'-P energy: -122.828 bonds (distance) P-C4' energy: -89.411 flat angles C4'-P-C4' energy: -111.104 flat angles P-C4'-P energy: -81.252 tors. eta vs tors. theta energy: -150.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1648.150040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.150040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.150040 (E_RNA) where: Base-Base interactions energy: -1143.262 where: short stacking energy: -475.034 Base-Backbone interact. energy: 0.705 local terms energy: -505.592721 where: bonds (distance) C4'-P energy: -93.068 bonds (distance) P-C4' energy: -103.215 flat angles C4'-P-C4' energy: -117.722 flat angles P-C4'-P energy: -63.537 tors. eta vs tors. theta energy: -128.052 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: 8 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1488.891120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.891120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.891120 (E_RNA) where: Base-Base interactions energy: -1001.040 where: short stacking energy: -446.485 Base-Backbone interact. energy: -2.450 local terms energy: -485.400783 where: bonds (distance) C4'-P energy: -77.511 bonds (distance) P-C4' energy: -120.364 flat angles C4'-P-C4' energy: -111.523 flat angles P-C4'-P energy: -68.150 tors. eta vs tors. theta energy: -107.853 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: 9, replica: 9 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1046.256021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.256021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.256021 (E_RNA) where: Base-Base interactions energy: -640.685 where: short stacking energy: -298.901 Base-Backbone interact. energy: 1.793 local terms energy: -407.364821 where: bonds (distance) C4'-P energy: -109.484 bonds (distance) P-C4' energy: -99.247 flat angles C4'-P-C4' energy: -101.080 flat angles P-C4'-P energy: -49.242 tors. eta vs tors. theta energy: -48.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -782.620510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.620510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.620510 (E_RNA) where: Base-Base interactions energy: -400.979 where: short stacking energy: -206.536 Base-Backbone interact. energy: -2.730 local terms energy: -378.911460 where: bonds (distance) C4'-P energy: -97.400 bonds (distance) P-C4' energy: -121.826 flat angles C4'-P-C4' energy: -75.505 flat angles P-C4'-P energy: -69.963 tors. eta vs tors. theta energy: -14.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2254.763027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.763027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.763027 (E_RNA) where: Base-Base interactions energy: -1563.792 where: short stacking energy: -666.664 Base-Backbone interact. energy: -1.851 local terms energy: -689.120664 where: bonds (distance) C4'-P energy: -124.012 bonds (distance) P-C4' energy: -128.216 flat angles C4'-P-C4' energy: -144.965 flat angles P-C4'-P energy: -90.830 tors. eta vs tors. theta energy: -201.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2125.455758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.455758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.455758 (E_RNA) where: Base-Base interactions energy: -1517.364 where: short stacking energy: -629.287 Base-Backbone interact. energy: -1.375 local terms energy: -606.716354 where: bonds (distance) C4'-P energy: -109.441 bonds (distance) P-C4' energy: -113.266 flat angles C4'-P-C4' energy: -122.969 flat angles P-C4'-P energy: -93.998 tors. eta vs tors. theta energy: -167.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2115.524863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.524863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.524863 (E_RNA) where: Base-Base interactions energy: -1467.309 where: short stacking energy: -639.179 Base-Backbone interact. energy: -0.396 local terms energy: -647.820201 where: bonds (distance) C4'-P energy: -111.936 bonds (distance) P-C4' energy: -124.411 flat angles C4'-P-C4' energy: -137.445 flat angles P-C4'-P energy: -90.272 tors. eta vs tors. theta energy: -183.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1965.025144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.025144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.025144 (E_RNA) where: Base-Base interactions energy: -1390.858 where: short stacking energy: -582.861 Base-Backbone interact. energy: -1.590 local terms energy: -572.576798 where: bonds (distance) C4'-P energy: -111.599 bonds (distance) P-C4' energy: -95.638 flat angles C4'-P-C4' energy: -127.449 flat angles P-C4'-P energy: -68.711 tors. eta vs tors. theta energy: -169.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1884.902137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.902137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.902137 (E_RNA) where: Base-Base interactions energy: -1315.209 where: short stacking energy: -584.578 Base-Backbone interact. energy: -2.774 local terms energy: -566.919397 where: bonds (distance) C4'-P energy: -106.819 bonds (distance) P-C4' energy: -110.402 flat angles C4'-P-C4' energy: -123.000 flat angles P-C4'-P energy: -67.239 tors. eta vs tors. theta energy: -159.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1840.770476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.770476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.770476 (E_RNA) where: Base-Base interactions energy: -1260.586 where: short stacking energy: -541.028 Base-Backbone interact. energy: -1.888 local terms energy: -578.296062 where: bonds (distance) C4'-P energy: -106.635 bonds (distance) P-C4' energy: -112.482 flat angles C4'-P-C4' energy: -119.241 flat angles P-C4'-P energy: -92.541 tors. eta vs tors. theta energy: -147.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1607.311158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.311158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.311158 (E_RNA) where: Base-Base interactions energy: -1138.932 where: short stacking energy: -493.437 Base-Backbone interact. energy: 0.430 local terms energy: -468.809181 where: bonds (distance) C4'-P energy: -74.465 bonds (distance) P-C4' energy: -95.908 flat angles C4'-P-C4' energy: -118.278 flat angles P-C4'-P energy: -59.488 tors. eta vs tors. theta energy: -120.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1434.979329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.979329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.979329 (E_RNA) where: Base-Base interactions energy: -965.595 where: short stacking energy: -440.968 Base-Backbone interact. energy: 2.557 local terms energy: -471.941303 where: bonds (distance) C4'-P energy: -82.453 bonds (distance) P-C4' energy: -101.596 flat angles C4'-P-C4' energy: -111.087 flat angles P-C4'-P energy: -70.267 tors. eta vs tors. theta energy: -106.538 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: 9, replica: 9 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1075.393401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.393401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.393401 (E_RNA) where: Base-Base interactions energy: -656.009 where: short stacking energy: -304.783 Base-Backbone interact. energy: 0.053 local terms energy: -419.437453 where: bonds (distance) C4'-P energy: -98.035 bonds (distance) P-C4' energy: -100.299 flat angles C4'-P-C4' energy: -107.750 flat angles P-C4'-P energy: -54.415 tors. eta vs tors. theta energy: -58.939 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: 4 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -828.444817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.444817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.444817 (E_RNA) where: Base-Base interactions energy: -480.319 where: short stacking energy: -234.141 Base-Backbone interact. energy: -1.720 local terms energy: -346.405811 where: bonds (distance) C4'-P energy: -107.452 bonds (distance) P-C4' energy: -108.028 flat angles C4'-P-C4' energy: -93.613 flat angles P-C4'-P energy: -32.902 tors. eta vs tors. theta energy: -4.412 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: 10 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2241.246962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.246962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.246962 (E_RNA) where: Base-Base interactions energy: -1556.074 where: short stacking energy: -667.012 Base-Backbone interact. energy: -1.378 local terms energy: -683.795340 where: bonds (distance) C4'-P energy: -134.096 bonds (distance) P-C4' energy: -115.816 flat angles C4'-P-C4' energy: -152.021 flat angles P-C4'-P energy: -89.178 tors. eta vs tors. theta energy: -192.685 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: 2, replica: 3 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2125.356789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.356789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.356789 (E_RNA) where: Base-Base interactions energy: -1477.406 where: short stacking energy: -616.074 Base-Backbone interact. energy: -1.494 local terms energy: -646.456333 where: bonds (distance) C4'-P energy: -115.959 bonds (distance) P-C4' energy: -128.324 flat angles C4'-P-C4' energy: -141.558 flat angles P-C4'-P energy: -87.629 tors. eta vs tors. theta energy: -172.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2144.110451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.110451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.110451 (E_RNA) where: Base-Base interactions energy: -1482.705 where: short stacking energy: -645.596 Base-Backbone interact. energy: 0.795 local terms energy: -662.200375 where: bonds (distance) C4'-P energy: -116.787 bonds (distance) P-C4' energy: -123.522 flat angles C4'-P-C4' energy: -135.968 flat angles P-C4'-P energy: -92.050 tors. eta vs tors. theta energy: -193.872 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: 5 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2007.424584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.424584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.424584 (E_RNA) where: Base-Base interactions energy: -1400.384 where: short stacking energy: -587.297 Base-Backbone interact. energy: -2.986 local terms energy: -604.054826 where: bonds (distance) C4'-P energy: -111.558 bonds (distance) P-C4' energy: -117.474 flat angles C4'-P-C4' energy: -128.743 flat angles P-C4'-P energy: -87.479 tors. eta vs tors. theta energy: -158.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1871.090221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.090221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.090221 (E_RNA) where: Base-Base interactions energy: -1317.792 where: short stacking energy: -564.025 Base-Backbone interact. energy: -1.938 local terms energy: -551.359467 where: bonds (distance) C4'-P energy: -94.876 bonds (distance) P-C4' energy: -110.914 flat angles C4'-P-C4' energy: -117.052 flat angles P-C4'-P energy: -78.264 tors. eta vs tors. theta energy: -150.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1839.284392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.284392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.284392 (E_RNA) where: Base-Base interactions energy: -1286.436 where: short stacking energy: -557.196 Base-Backbone interact. energy: 2.324 local terms energy: -555.172057 where: bonds (distance) C4'-P energy: -80.383 bonds (distance) P-C4' energy: -114.480 flat angles C4'-P-C4' energy: -129.739 flat angles P-C4'-P energy: -74.848 tors. eta vs tors. theta energy: -155.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1615.448781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.448781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.448781 (E_RNA) where: Base-Base interactions energy: -1106.984 where: short stacking energy: -468.430 Base-Backbone interact. energy: -5.097 local terms energy: -503.367928 where: bonds (distance) C4'-P energy: -97.197 bonds (distance) P-C4' energy: -105.301 flat angles C4'-P-C4' energy: -113.926 flat angles P-C4'-P energy: -68.904 tors. eta vs tors. theta energy: -118.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1391.320098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.320098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.320098 (E_RNA) where: Base-Base interactions energy: -938.475 where: short stacking energy: -406.032 Base-Backbone interact. energy: -0.146 local terms energy: -452.699188 where: bonds (distance) C4'-P energy: -106.131 bonds (distance) P-C4' energy: -82.979 flat angles C4'-P-C4' energy: -112.885 flat angles P-C4'-P energy: -74.687 tors. eta vs tors. theta energy: -76.018 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: 9 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1089.576416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.576416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.576416 (E_RNA) where: Base-Base interactions energy: -649.201 where: short stacking energy: -325.668 Base-Backbone interact. energy: -2.700 local terms energy: -437.674869 where: bonds (distance) C4'-P energy: -97.325 bonds (distance) P-C4' energy: -108.550 flat angles C4'-P-C4' energy: -114.374 flat angles P-C4'-P energy: -41.343 tors. eta vs tors. theta energy: -76.083 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: 10, replica: 4 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -802.387519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.387519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.387519 (E_RNA) where: Base-Base interactions energy: -456.135 where: short stacking energy: -232.666 Base-Backbone interact. energy: 0.035 local terms energy: -346.288253 where: bonds (distance) C4'-P energy: -101.019 bonds (distance) P-C4' energy: -96.617 flat angles C4'-P-C4' energy: -98.097 flat angles P-C4'-P energy: -46.527 tors. eta vs tors. theta energy: -4.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2259.646686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.646686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.646686 (E_RNA) where: Base-Base interactions energy: -1578.662 where: short stacking energy: -680.816 Base-Backbone interact. energy: -1.631 local terms energy: -679.353887 where: bonds (distance) C4'-P energy: -122.696 bonds (distance) P-C4' energy: -124.253 flat angles C4'-P-C4' energy: -136.004 flat angles P-C4'-P energy: -99.088 tors. eta vs tors. theta energy: -197.313 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: 3 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2138.520093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.520093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.520093 (E_RNA) where: Base-Base interactions energy: -1476.876 where: short stacking energy: -619.846 Base-Backbone interact. energy: -1.546 local terms energy: -660.098788 where: bonds (distance) C4'-P energy: -115.872 bonds (distance) P-C4' energy: -116.793 flat angles C4'-P-C4' energy: -132.341 flat angles P-C4'-P energy: -100.790 tors. eta vs tors. theta energy: -194.304 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: 6 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2093.210453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.210453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.210453 (E_RNA) where: Base-Base interactions energy: -1474.913 where: short stacking energy: -629.007 Base-Backbone interact. energy: -1.380 local terms energy: -616.917551 where: bonds (distance) C4'-P energy: -103.595 bonds (distance) P-C4' energy: -109.033 flat angles C4'-P-C4' energy: -136.360 flat angles P-C4'-P energy: -87.447 tors. eta vs tors. theta energy: -180.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1964.180857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.180857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.180857 (E_RNA) where: Base-Base interactions energy: -1389.178 where: short stacking energy: -574.145 Base-Backbone interact. energy: -2.917 local terms energy: -572.086001 where: bonds (distance) C4'-P energy: -98.064 bonds (distance) P-C4' energy: -126.548 flat angles C4'-P-C4' energy: -123.007 flat angles P-C4'-P energy: -72.810 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: 5, replica: 2 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1867.272584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.272584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.272584 (E_RNA) where: Base-Base interactions energy: -1289.394 where: short stacking energy: -558.225 Base-Backbone interact. energy: -3.896 local terms energy: -573.983027 where: bonds (distance) C4'-P energy: -101.971 bonds (distance) P-C4' energy: -117.002 flat angles C4'-P-C4' energy: -127.593 flat angles P-C4'-P energy: -70.647 tors. eta vs tors. theta energy: -156.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1821.366629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.366629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.366629 (E_RNA) where: Base-Base interactions energy: -1256.913 where: short stacking energy: -541.256 Base-Backbone interact. energy: -3.602 local terms energy: -560.851082 where: bonds (distance) C4'-P energy: -102.816 bonds (distance) P-C4' energy: -101.453 flat angles C4'-P-C4' energy: -131.572 flat angles P-C4'-P energy: -84.757 tors. eta vs tors. theta energy: -140.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1641.791693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.791693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.791693 (E_RNA) where: Base-Base interactions energy: -1115.083 where: short stacking energy: -483.922 Base-Backbone interact. energy: 1.088 local terms energy: -527.796461 where: bonds (distance) C4'-P energy: -100.765 bonds (distance) P-C4' energy: -107.861 flat angles C4'-P-C4' energy: -117.449 flat angles P-C4'-P energy: -78.270 tors. eta vs tors. theta energy: -123.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1302.294724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.294724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.294724 (E_RNA) where: Base-Base interactions energy: -859.698 where: short stacking energy: -369.082 Base-Backbone interact. energy: 2.858 local terms energy: -445.454745 where: bonds (distance) C4'-P energy: -107.597 bonds (distance) P-C4' energy: -100.760 flat angles C4'-P-C4' energy: -103.663 flat angles P-C4'-P energy: -67.367 tors. eta vs tors. theta energy: -66.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1082.869851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.869851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.869851 (E_RNA) where: Base-Base interactions energy: -676.682 where: short stacking energy: -335.464 Base-Backbone interact. energy: 0.684 local terms energy: -406.871488 where: bonds (distance) C4'-P energy: -116.462 bonds (distance) P-C4' energy: -82.349 flat angles C4'-P-C4' energy: -73.349 flat angles P-C4'-P energy: -67.135 tors. eta vs tors. theta energy: -67.577 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: 10, replica: 4 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -800.330894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.330894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.330894 (E_RNA) where: Base-Base interactions energy: -450.385 where: short stacking energy: -231.453 Base-Backbone interact. energy: 2.330 local terms energy: -352.276340 where: bonds (distance) C4'-P energy: -104.717 bonds (distance) P-C4' energy: -93.779 flat angles C4'-P-C4' energy: -102.661 flat angles P-C4'-P energy: -37.584 tors. eta vs tors. theta energy: -13.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2254.979995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.979995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.979995 (E_RNA) where: Base-Base interactions energy: -1594.672 where: short stacking energy: -655.847 Base-Backbone interact. energy: -2.696 local terms energy: -657.611889 where: bonds (distance) C4'-P energy: -120.717 bonds (distance) P-C4' energy: -112.894 flat angles C4'-P-C4' energy: -134.645 flat angles P-C4'-P energy: -89.268 tors. eta vs tors. theta energy: -200.088 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: 2, replica: 3 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2153.508681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.508681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.508681 (E_RNA) where: Base-Base interactions energy: -1508.367 where: short stacking energy: -629.064 Base-Backbone interact. energy: -4.689 local terms energy: -640.452070 where: bonds (distance) C4'-P energy: -113.867 bonds (distance) P-C4' energy: -120.637 flat angles C4'-P-C4' energy: -127.730 flat angles P-C4'-P energy: -97.589 tors. eta vs tors. theta energy: -180.628 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: 6 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2121.932166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.932166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.932166 (E_RNA) where: Base-Base interactions energy: -1477.850 where: short stacking energy: -654.728 Base-Backbone interact. energy: -1.590 local terms energy: -642.492797 where: bonds (distance) C4'-P energy: -119.786 bonds (distance) P-C4' energy: -102.115 flat angles C4'-P-C4' energy: -142.149 flat angles P-C4'-P energy: -85.753 tors. eta vs tors. theta energy: -192.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1973.950597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.950597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.950597 (E_RNA) where: Base-Base interactions energy: -1368.467 where: short stacking energy: -569.348 Base-Backbone interact. energy: -4.099 local terms energy: -601.384751 where: bonds (distance) C4'-P energy: -112.824 bonds (distance) P-C4' energy: -119.981 flat angles C4'-P-C4' energy: -128.422 flat angles P-C4'-P energy: -74.924 tors. eta vs tors. theta energy: -165.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1832.649285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.649285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.649285 (E_RNA) where: Base-Base interactions energy: -1270.950 where: short stacking energy: -532.805 Base-Backbone interact. energy: 4.975 local terms energy: -566.673886 where: bonds (distance) C4'-P energy: -116.504 bonds (distance) P-C4' energy: -100.680 flat angles C4'-P-C4' energy: -130.417 flat angles P-C4'-P energy: -69.396 tors. eta vs tors. theta energy: -149.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1799.228230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.228230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.228230 (E_RNA) where: Base-Base interactions energy: -1271.698 where: short stacking energy: -556.728 Base-Backbone interact. energy: -0.517 local terms energy: -527.014010 where: bonds (distance) C4'-P energy: -104.076 bonds (distance) P-C4' energy: -105.368 flat angles C4'-P-C4' energy: -111.658 flat angles P-C4'-P energy: -75.568 tors. eta vs tors. theta energy: -130.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1663.209991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.209991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.209991 (E_RNA) where: Base-Base interactions energy: -1148.395 where: short stacking energy: -476.362 Base-Backbone interact. energy: 1.150 local terms energy: -515.964860 where: bonds (distance) C4'-P energy: -98.817 bonds (distance) P-C4' energy: -101.515 flat angles C4'-P-C4' energy: -109.936 flat angles P-C4'-P energy: -74.478 tors. eta vs tors. theta energy: -131.219 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: 8 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1330.858871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.858871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.858871 (E_RNA) where: Base-Base interactions energy: -903.061 where: short stacking energy: -420.616 Base-Backbone interact. energy: 0.287 local terms energy: -428.083914 where: bonds (distance) C4'-P energy: -79.517 bonds (distance) P-C4' energy: -97.710 flat angles C4'-P-C4' energy: -101.302 flat angles P-C4'-P energy: -70.003 tors. eta vs tors. theta energy: -79.552 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: 9, replica: 9 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1098.293468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.293468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.293468 (E_RNA) where: Base-Base interactions energy: -663.106 where: short stacking energy: -320.080 Base-Backbone interact. energy: -1.245 local terms energy: -433.942049 where: bonds (distance) C4'-P energy: -104.559 bonds (distance) P-C4' energy: -92.766 flat angles C4'-P-C4' energy: -94.951 flat angles P-C4'-P energy: -72.199 tors. eta vs tors. theta energy: -69.468 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: 4 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -776.595540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.595540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.595540 (E_RNA) where: Base-Base interactions energy: -426.155 where: short stacking energy: -237.619 Base-Backbone interact. energy: 2.272 local terms energy: -352.712697 where: bonds (distance) C4'-P energy: -100.820 bonds (distance) P-C4' energy: -109.530 flat angles C4'-P-C4' energy: -89.191 flat angles P-C4'-P energy: -42.792 tors. eta vs tors. theta energy: -10.381 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: 1, replica: 10 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2265.864566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.864566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.864566 (E_RNA) where: Base-Base interactions energy: -1600.530 where: short stacking energy: -701.260 Base-Backbone interact. energy: -1.144 local terms energy: -664.190373 where: bonds (distance) C4'-P energy: -110.655 bonds (distance) P-C4' energy: -125.407 flat angles C4'-P-C4' energy: -140.906 flat angles P-C4'-P energy: -85.092 tors. eta vs tors. theta energy: -202.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2173.597033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.597033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.597033 (E_RNA) where: Base-Base interactions energy: -1513.743 where: short stacking energy: -622.036 Base-Backbone interact. energy: -3.626 local terms energy: -656.228676 where: bonds (distance) C4'-P energy: -123.917 bonds (distance) P-C4' energy: -126.918 flat angles C4'-P-C4' energy: -133.947 flat angles P-C4'-P energy: -98.155 tors. eta vs tors. theta energy: -173.291 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: 3, replica: 6 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2104.929923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.929923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.929923 (E_RNA) where: Base-Base interactions energy: -1466.737 where: short stacking energy: -638.654 Base-Backbone interact. energy: -1.179 local terms energy: -637.014152 where: bonds (distance) C4'-P energy: -117.135 bonds (distance) P-C4' energy: -118.312 flat angles C4'-P-C4' energy: -132.110 flat angles P-C4'-P energy: -81.191 tors. eta vs tors. theta energy: -188.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1951.589469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.589469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.589469 (E_RNA) where: Base-Base interactions energy: -1335.857 where: short stacking energy: -554.383 Base-Backbone interact. energy: -2.171 local terms energy: -613.561474 where: bonds (distance) C4'-P energy: -114.718 bonds (distance) P-C4' energy: -109.571 flat angles C4'-P-C4' energy: -141.429 flat angles P-C4'-P energy: -92.544 tors. eta vs tors. theta energy: -155.300 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: 2 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1804.485184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.485184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.485184 (E_RNA) where: Base-Base interactions energy: -1255.900 where: short stacking energy: -548.615 Base-Backbone interact. energy: 1.294 local terms energy: -549.878723 where: bonds (distance) C4'-P energy: -109.130 bonds (distance) P-C4' energy: -110.069 flat angles C4'-P-C4' energy: -115.887 flat angles P-C4'-P energy: -64.971 tors. eta vs tors. theta energy: -149.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1817.966387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.966387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.966387 (E_RNA) where: Base-Base interactions energy: -1268.462 where: short stacking energy: -517.828 Base-Backbone interact. energy: -1.377 local terms energy: -548.126944 where: bonds (distance) C4'-P energy: -95.735 bonds (distance) P-C4' energy: -117.688 flat angles C4'-P-C4' energy: -130.545 flat angles P-C4'-P energy: -67.081 tors. eta vs tors. theta energy: -137.079 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: 1 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1648.295915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.295915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.295915 (E_RNA) where: Base-Base interactions energy: -1128.478 where: short stacking energy: -508.783 Base-Backbone interact. energy: -2.464 local terms energy: -517.354340 where: bonds (distance) C4'-P energy: -93.095 bonds (distance) P-C4' energy: -113.720 flat angles C4'-P-C4' energy: -107.386 flat angles P-C4'-P energy: -63.332 tors. eta vs tors. theta energy: -139.822 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: 8, replica: 8 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1247.664942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.664942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.664942 (E_RNA) where: Base-Base interactions energy: -801.311 where: short stacking energy: -350.782 Base-Backbone interact. energy: -0.071 local terms energy: -446.282151 where: bonds (distance) C4'-P energy: -118.132 bonds (distance) P-C4' energy: -98.620 flat angles C4'-P-C4' energy: -87.998 flat angles P-C4'-P energy: -71.560 tors. eta vs tors. theta energy: -69.973 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: 9, replica: 9 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1043.844519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.844519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.844519 (E_RNA) where: Base-Base interactions energy: -632.952 where: short stacking energy: -298.421 Base-Backbone interact. energy: 0.357 local terms energy: -411.249856 where: bonds (distance) C4'-P energy: -102.795 bonds (distance) P-C4' energy: -104.262 flat angles C4'-P-C4' energy: -99.157 flat angles P-C4'-P energy: -52.715 tors. eta vs tors. theta energy: -52.320 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: 4 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -773.958477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.958477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.958477 (E_RNA) where: Base-Base interactions energy: -448.739 where: short stacking energy: -217.959 Base-Backbone interact. energy: 6.353 local terms energy: -331.571653 where: bonds (distance) C4'-P energy: -98.362 bonds (distance) P-C4' energy: -98.154 flat angles C4'-P-C4' energy: -92.263 flat angles P-C4'-P energy: -44.507 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: 1, replica: 10 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2273.698386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.698386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.698386 (E_RNA) where: Base-Base interactions energy: -1611.413 where: short stacking energy: -649.813 Base-Backbone interact. energy: -1.948 local terms energy: -660.337219 where: bonds (distance) C4'-P energy: -122.565 bonds (distance) P-C4' energy: -129.519 flat angles C4'-P-C4' energy: -132.073 flat angles P-C4'-P energy: -87.923 tors. eta vs tors. theta energy: -188.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2123.716147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.716147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.716147 (E_RNA) where: Base-Base interactions energy: -1476.210 where: short stacking energy: -630.707 Base-Backbone interact. energy: 0.962 local terms energy: -648.468565 where: bonds (distance) C4'-P energy: -122.314 bonds (distance) P-C4' energy: -123.641 flat angles C4'-P-C4' energy: -148.476 flat angles P-C4'-P energy: -74.790 tors. eta vs tors. theta energy: -179.248 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: 3, replica: 6 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2105.624636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.624636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.624636 (E_RNA) where: Base-Base interactions energy: -1466.598 where: short stacking energy: -628.315 Base-Backbone interact. energy: -4.853 local terms energy: -634.174005 where: bonds (distance) C4'-P energy: -115.953 bonds (distance) P-C4' energy: -115.336 flat angles C4'-P-C4' energy: -143.221 flat angles P-C4'-P energy: -76.757 tors. eta vs tors. theta energy: -182.907 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: 5 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1983.205293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.205293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.205293 (E_RNA) where: Base-Base interactions energy: -1374.556 where: short stacking energy: -565.307 Base-Backbone interact. energy: 0.182 local terms energy: -608.830602 where: bonds (distance) C4'-P energy: -115.879 bonds (distance) P-C4' energy: -125.825 flat angles C4'-P-C4' energy: -125.741 flat angles P-C4'-P energy: -87.960 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: 5, replica: 2 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1855.539696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.539696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.539696 (E_RNA) where: Base-Base interactions energy: -1253.138 where: short stacking energy: -556.756 Base-Backbone interact. energy: 2.920 local terms energy: -605.321500 where: bonds (distance) C4'-P energy: -117.979 bonds (distance) P-C4' energy: -124.199 flat angles C4'-P-C4' energy: -135.390 flat angles P-C4'-P energy: -84.361 tors. eta vs tors. theta energy: -143.393 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: 7 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1814.012675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.012675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.012675 (E_RNA) where: Base-Base interactions energy: -1257.946 where: short stacking energy: -526.689 Base-Backbone interact. energy: 1.079 local terms energy: -557.145184 where: bonds (distance) C4'-P energy: -115.671 bonds (distance) P-C4' energy: -93.175 flat angles C4'-P-C4' energy: -117.100 flat angles P-C4'-P energy: -91.556 tors. eta vs tors. theta energy: -139.643 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: 1 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1642.665311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.665311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.665311 (E_RNA) where: Base-Base interactions energy: -1132.467 where: short stacking energy: -509.301 Base-Backbone interact. energy: -3.392 local terms energy: -506.806784 where: bonds (distance) C4'-P energy: -101.566 bonds (distance) P-C4' energy: -93.242 flat angles C4'-P-C4' energy: -113.835 flat angles P-C4'-P energy: -67.374 tors. eta vs tors. theta energy: -130.790 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: 8 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1238.080949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.080949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.080949 (E_RNA) where: Base-Base interactions energy: -831.246 where: short stacking energy: -387.686 Base-Backbone interact. energy: 6.662 local terms energy: -413.496948 where: bonds (distance) C4'-P energy: -93.397 bonds (distance) P-C4' energy: -111.338 flat angles C4'-P-C4' energy: -90.058 flat angles P-C4'-P energy: -43.186 tors. eta vs tors. theta energy: -75.518 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: 408 Temperature: 1.300000 Total energy: -1005.399139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.399139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.399139 (E_RNA) where: Base-Base interactions energy: -616.293 where: short stacking energy: -318.376 Base-Backbone interact. energy: -2.287 local terms energy: -386.818742 where: bonds (distance) C4'-P energy: -96.821 bonds (distance) P-C4' energy: -91.697 flat angles C4'-P-C4' energy: -102.492 flat angles P-C4'-P energy: -44.278 tors. eta vs tors. theta energy: -51.531 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: 4 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -800.833640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.833640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.833640 (E_RNA) where: Base-Base interactions energy: -457.786 where: short stacking energy: -253.806 Base-Backbone interact. energy: -2.725 local terms energy: -340.322444 where: bonds (distance) C4'-P energy: -75.605 bonds (distance) P-C4' energy: -100.320 flat angles C4'-P-C4' energy: -100.811 flat angles P-C4'-P energy: -45.653 tors. eta vs tors. theta energy: -17.933 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: 10 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2269.367897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.367897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.367897 (E_RNA) where: Base-Base interactions energy: -1576.820 where: short stacking energy: -679.339 Base-Backbone interact. energy: -0.214 local terms energy: -692.334192 where: bonds (distance) C4'-P energy: -120.967 bonds (distance) P-C4' energy: -126.362 flat angles C4'-P-C4' energy: -149.787 flat angles P-C4'-P energy: -98.103 tors. eta vs tors. theta energy: -197.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2141.944491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.944491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.944491 (E_RNA) where: Base-Base interactions energy: -1482.355 where: short stacking energy: -650.745 Base-Backbone interact. energy: -4.144 local terms energy: -655.446232 where: bonds (distance) C4'-P energy: -117.005 bonds (distance) P-C4' energy: -116.155 flat angles C4'-P-C4' energy: -129.760 flat angles P-C4'-P energy: -92.032 tors. eta vs tors. theta energy: -200.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2090.384190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.384190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.384190 (E_RNA) where: Base-Base interactions energy: -1471.713 where: short stacking energy: -614.509 Base-Backbone interact. energy: -2.030 local terms energy: -616.640761 where: bonds (distance) C4'-P energy: -108.396 bonds (distance) P-C4' energy: -118.422 flat angles C4'-P-C4' energy: -135.518 flat angles P-C4'-P energy: -85.978 tors. eta vs tors. theta energy: -168.327 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: 4, replica: 5 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1956.675341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.675341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.675341 (E_RNA) where: Base-Base interactions energy: -1362.885 where: short stacking energy: -567.716 Base-Backbone interact. energy: -3.693 local terms energy: -590.096651 where: bonds (distance) C4'-P energy: -109.877 bonds (distance) P-C4' energy: -121.959 flat angles C4'-P-C4' energy: -118.638 flat angles P-C4'-P energy: -81.730 tors. eta vs tors. theta energy: -157.892 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: 5, replica: 2 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1881.917644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.917644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.917644 (E_RNA) where: Base-Base interactions energy: -1289.007 where: short stacking energy: -566.659 Base-Backbone interact. energy: -3.596 local terms energy: -589.314327 where: bonds (distance) C4'-P energy: -111.777 bonds (distance) P-C4' energy: -108.046 flat angles C4'-P-C4' energy: -128.716 flat angles P-C4'-P energy: -80.139 tors. eta vs tors. theta energy: -160.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1750.912893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.912893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.912893 (E_RNA) where: Base-Base interactions energy: -1201.954 where: short stacking energy: -540.258 Base-Backbone interact. energy: 0.145 local terms energy: -549.103545 where: bonds (distance) C4'-P energy: -109.525 bonds (distance) P-C4' energy: -119.995 flat angles C4'-P-C4' energy: -114.013 flat angles P-C4'-P energy: -64.793 tors. eta vs tors. theta energy: -140.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1628.014966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.014966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.014966 (E_RNA) where: Base-Base interactions energy: -1112.006 where: short stacking energy: -499.031 Base-Backbone interact. energy: 0.351 local terms energy: -516.359669 where: bonds (distance) C4'-P energy: -97.227 bonds (distance) P-C4' energy: -103.444 flat angles C4'-P-C4' energy: -116.849 flat angles P-C4'-P energy: -71.999 tors. eta vs tors. theta energy: -126.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1219.390819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.390819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.390819 (E_RNA) where: Base-Base interactions energy: -795.550 where: short stacking energy: -367.495 Base-Backbone interact. energy: -2.236 local terms energy: -421.604995 where: bonds (distance) C4'-P energy: -92.109 bonds (distance) P-C4' energy: -108.076 flat angles C4'-P-C4' energy: -97.307 flat angles P-C4'-P energy: -62.269 tors. eta vs tors. theta energy: -61.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1081.422982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.422982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.422982 (E_RNA) where: Base-Base interactions energy: -709.498 where: short stacking energy: -342.118 Base-Backbone interact. energy: -2.340 local terms energy: -369.584690 where: bonds (distance) C4'-P energy: -77.896 bonds (distance) P-C4' energy: -88.268 flat angles C4'-P-C4' energy: -89.352 flat angles P-C4'-P energy: -64.385 tors. eta vs tors. theta energy: -49.685 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: 4 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -821.758466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.758466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.758466 (E_RNA) where: Base-Base interactions energy: -469.026 where: short stacking energy: -233.286 Base-Backbone interact. energy: -0.838 local terms energy: -351.893976 where: bonds (distance) C4'-P energy: -99.391 bonds (distance) P-C4' energy: -105.725 flat angles C4'-P-C4' energy: -82.140 flat angles P-C4'-P energy: -47.867 tors. eta vs tors. theta energy: -16.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2269.339452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.339452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.339452 (E_RNA) where: Base-Base interactions energy: -1577.670 where: short stacking energy: -653.205 Base-Backbone interact. energy: -1.095 local terms energy: -690.574269 where: bonds (distance) C4'-P energy: -128.076 bonds (distance) P-C4' energy: -130.352 flat angles C4'-P-C4' energy: -136.016 flat angles P-C4'-P energy: -103.663 tors. eta vs tors. theta energy: -192.468 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: 6 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2163.579304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.579304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.579304 (E_RNA) where: Base-Base interactions energy: -1489.006 where: short stacking energy: -662.610 Base-Backbone interact. energy: -4.769 local terms energy: -669.803753 where: bonds (distance) C4'-P energy: -123.338 bonds (distance) P-C4' energy: -119.748 flat angles C4'-P-C4' energy: -135.806 flat angles P-C4'-P energy: -95.111 tors. eta vs tors. theta energy: -195.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2090.965944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.965944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.965944 (E_RNA) where: Base-Base interactions energy: -1481.368 where: short stacking energy: -620.172 Base-Backbone interact. energy: -4.798 local terms energy: -604.799968 where: bonds (distance) C4'-P energy: -108.117 bonds (distance) P-C4' energy: -110.788 flat angles C4'-P-C4' energy: -127.273 flat angles P-C4'-P energy: -75.664 tors. eta vs tors. theta energy: -182.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2016.742841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.742841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.742841 (E_RNA) where: Base-Base interactions energy: -1432.432 where: short stacking energy: -589.224 Base-Backbone interact. energy: 0.443 local terms energy: -584.754451 where: bonds (distance) C4'-P energy: -110.956 bonds (distance) P-C4' energy: -99.180 flat angles C4'-P-C4' energy: -141.298 flat angles P-C4'-P energy: -74.447 tors. eta vs tors. theta energy: -158.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1897.122451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.122451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.122451 (E_RNA) where: Base-Base interactions energy: -1312.302 where: short stacking energy: -558.625 Base-Backbone interact. energy: -1.608 local terms energy: -583.212273 where: bonds (distance) C4'-P energy: -121.628 bonds (distance) P-C4' energy: -113.091 flat angles C4'-P-C4' energy: -121.576 flat angles P-C4'-P energy: -74.911 tors. eta vs tors. theta energy: -152.006 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: 7 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1825.923338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.923338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.923338 (E_RNA) where: Base-Base interactions energy: -1260.526 where: short stacking energy: -534.428 Base-Backbone interact. energy: -0.776 local terms energy: -564.621663 where: bonds (distance) C4'-P energy: -120.354 bonds (distance) P-C4' energy: -98.801 flat angles C4'-P-C4' energy: -104.942 flat angles P-C4'-P energy: -94.402 tors. eta vs tors. theta energy: -146.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1612.705256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.705256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.705256 (E_RNA) where: Base-Base interactions energy: -1082.702 where: short stacking energy: -452.562 Base-Backbone interact. energy: 0.488 local terms energy: -530.491084 where: bonds (distance) C4'-P energy: -108.637 bonds (distance) P-C4' energy: -115.115 flat angles C4'-P-C4' energy: -127.030 flat angles P-C4'-P energy: -72.890 tors. eta vs tors. theta energy: -106.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1191.757289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.757289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.757289 (E_RNA) where: Base-Base interactions energy: -790.813 where: short stacking energy: -357.613 Base-Backbone interact. energy: -4.083 local terms energy: -396.861778 where: bonds (distance) C4'-P energy: -104.009 bonds (distance) P-C4' energy: -115.068 flat angles C4'-P-C4' energy: -95.916 flat angles P-C4'-P energy: -22.954 tors. eta vs tors. theta energy: -58.915 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: 9 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1111.388367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.388367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.388367 (E_RNA) where: Base-Base interactions energy: -670.098 where: short stacking energy: -328.732 Base-Backbone interact. energy: -1.410 local terms energy: -439.879892 where: bonds (distance) C4'-P energy: -102.595 bonds (distance) P-C4' energy: -114.686 flat angles C4'-P-C4' energy: -111.222 flat angles P-C4'-P energy: -59.203 tors. eta vs tors. theta energy: -52.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -866.858724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.858724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.858724 (E_RNA) where: Base-Base interactions energy: -476.200 where: short stacking energy: -242.486 Base-Backbone interact. energy: 0.589 local terms energy: -391.247295 where: bonds (distance) C4'-P energy: -92.826 bonds (distance) P-C4' energy: -130.302 flat angles C4'-P-C4' energy: -89.097 flat angles P-C4'-P energy: -52.674 tors. eta vs tors. theta energy: -26.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2263.386810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.386810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.386810 (E_RNA) where: Base-Base interactions energy: -1577.789 where: short stacking energy: -669.222 Base-Backbone interact. energy: -2.713 local terms energy: -682.884721 where: bonds (distance) C4'-P energy: -122.202 bonds (distance) P-C4' energy: -127.707 flat angles C4'-P-C4' energy: -144.363 flat angles P-C4'-P energy: -87.344 tors. eta vs tors. theta energy: -201.269 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: 6 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2153.023213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.023213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.023213 (E_RNA) where: Base-Base interactions energy: -1470.763 where: short stacking energy: -674.284 Base-Backbone interact. energy: -4.044 local terms energy: -678.216662 where: bonds (distance) C4'-P energy: -129.896 bonds (distance) P-C4' energy: -120.039 flat angles C4'-P-C4' energy: -139.340 flat angles P-C4'-P energy: -92.646 tors. eta vs tors. theta energy: -196.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2113.661336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.661336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.661336 (E_RNA) where: Base-Base interactions energy: -1476.712 where: short stacking energy: -615.733 Base-Backbone interact. energy: 1.428 local terms energy: -638.378118 where: bonds (distance) C4'-P energy: -122.610 bonds (distance) P-C4' energy: -114.219 flat angles C4'-P-C4' energy: -140.644 flat angles P-C4'-P energy: -86.013 tors. eta vs tors. theta energy: -174.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2002.011928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.011928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.011928 (E_RNA) where: Base-Base interactions energy: -1398.605 where: short stacking energy: -593.833 Base-Backbone interact. energy: -2.609 local terms energy: -600.797632 where: bonds (distance) C4'-P energy: -113.256 bonds (distance) P-C4' energy: -109.349 flat angles C4'-P-C4' energy: -137.814 flat angles P-C4'-P energy: -73.103 tors. eta vs tors. theta energy: -167.275 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: 2 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1873.639616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.639616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.639616 (E_RNA) where: Base-Base interactions energy: -1306.656 where: short stacking energy: -556.648 Base-Backbone interact. energy: -4.522 local terms energy: -562.461252 where: bonds (distance) C4'-P energy: -94.777 bonds (distance) P-C4' energy: -109.589 flat angles C4'-P-C4' energy: -119.079 flat angles P-C4'-P energy: -72.581 tors. eta vs tors. theta energy: -166.435 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: 6, replica: 7 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1816.727357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.727357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.727357 (E_RNA) where: Base-Base interactions energy: -1244.351 where: short stacking energy: -548.059 Base-Backbone interact. energy: -2.529 local terms energy: -569.847159 where: bonds (distance) C4'-P energy: -101.591 bonds (distance) P-C4' energy: -105.369 flat angles C4'-P-C4' energy: -124.013 flat angles P-C4'-P energy: -90.177 tors. eta vs tors. theta energy: -148.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1581.021766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.021766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.021766 (E_RNA) where: Base-Base interactions energy: -1066.485 where: short stacking energy: -487.796 Base-Backbone interact. energy: 0.620 local terms energy: -515.157307 where: bonds (distance) C4'-P energy: -98.716 bonds (distance) P-C4' energy: -124.737 flat angles C4'-P-C4' energy: -107.588 flat angles P-C4'-P energy: -66.728 tors. eta vs tors. theta energy: -117.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1249.027585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.027585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.027585 (E_RNA) where: Base-Base interactions energy: -802.631 where: short stacking energy: -342.866 Base-Backbone interact. energy: -1.275 local terms energy: -445.121577 where: bonds (distance) C4'-P energy: -85.994 bonds (distance) P-C4' energy: -116.805 flat angles C4'-P-C4' energy: -117.052 flat angles P-C4'-P energy: -66.204 tors. eta vs tors. theta energy: -59.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1099.296944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.296944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.296944 (E_RNA) where: Base-Base interactions energy: -682.225 where: short stacking energy: -324.540 Base-Backbone interact. energy: 3.131 local terms energy: -420.203815 where: bonds (distance) C4'-P energy: -95.939 bonds (distance) P-C4' energy: -99.824 flat angles C4'-P-C4' energy: -102.038 flat angles P-C4'-P energy: -60.412 tors. eta vs tors. theta energy: -61.992 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: 4 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -884.021614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.021614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.021614 (E_RNA) where: Base-Base interactions energy: -518.589 where: short stacking energy: -265.277 Base-Backbone interact. energy: 3.535 local terms energy: -368.968134 where: bonds (distance) C4'-P energy: -87.360 bonds (distance) P-C4' energy: -99.398 flat angles C4'-P-C4' energy: -88.091 flat angles P-C4'-P energy: -68.104 tors. eta vs tors. theta energy: -26.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2239.911606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.911606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.911606 (E_RNA) where: Base-Base interactions energy: -1566.977 where: short stacking energy: -651.152 Base-Backbone interact. energy: 1.538 local terms energy: -674.473064 where: bonds (distance) C4'-P energy: -119.864 bonds (distance) P-C4' energy: -125.443 flat angles C4'-P-C4' energy: -143.175 flat angles P-C4'-P energy: -94.834 tors. eta vs tors. theta energy: -191.157 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: 2, replica: 6 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2149.313391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.313391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.313391 (E_RNA) where: Base-Base interactions energy: -1490.803 where: short stacking energy: -647.824 Base-Backbone interact. energy: -2.762 local terms energy: -655.748712 where: bonds (distance) C4'-P energy: -117.708 bonds (distance) P-C4' energy: -117.837 flat angles C4'-P-C4' energy: -134.235 flat angles P-C4'-P energy: -91.585 tors. eta vs tors. theta energy: -194.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2102.270292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.270292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.270292 (E_RNA) where: Base-Base interactions energy: -1466.772 where: short stacking energy: -606.553 Base-Backbone interact. energy: 2.061 local terms energy: -637.559490 where: bonds (distance) C4'-P energy: -118.857 bonds (distance) P-C4' energy: -124.663 flat angles C4'-P-C4' energy: -129.870 flat angles P-C4'-P energy: -93.821 tors. eta vs tors. theta energy: -170.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2037.660640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.660640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.660640 (E_RNA) where: Base-Base interactions energy: -1447.100 where: short stacking energy: -587.041 Base-Backbone interact. energy: -1.248 local terms energy: -589.312462 where: bonds (distance) C4'-P energy: -106.771 bonds (distance) P-C4' energy: -112.331 flat angles C4'-P-C4' energy: -120.666 flat angles P-C4'-P energy: -81.688 tors. eta vs tors. theta energy: -167.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1860.031629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.031629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.031629 (E_RNA) where: Base-Base interactions energy: -1300.369 where: short stacking energy: -554.984 Base-Backbone interact. energy: 0.844 local terms energy: -560.506279 where: bonds (distance) C4'-P energy: -93.361 bonds (distance) P-C4' energy: -110.803 flat angles C4'-P-C4' energy: -113.116 flat angles P-C4'-P energy: -93.792 tors. eta vs tors. theta energy: -149.435 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: 6, replica: 2 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1827.829485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.829485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.829485 (E_RNA) where: Base-Base interactions energy: -1258.872 where: short stacking energy: -576.331 Base-Backbone interact. energy: -2.505 local terms energy: -566.452429 where: bonds (distance) C4'-P energy: -95.820 bonds (distance) P-C4' energy: -97.575 flat angles C4'-P-C4' energy: -135.682 flat angles P-C4'-P energy: -80.715 tors. eta vs tors. theta energy: -156.661 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: 1 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1575.392125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.392125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.392125 (E_RNA) where: Base-Base interactions energy: -1071.847 where: short stacking energy: -486.198 Base-Backbone interact. energy: 1.063 local terms energy: -504.608829 where: bonds (distance) C4'-P energy: -98.213 bonds (distance) P-C4' energy: -101.666 flat angles C4'-P-C4' energy: -107.600 flat angles P-C4'-P energy: -72.686 tors. eta vs tors. theta energy: -124.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1225.476430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.476430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.476430 (E_RNA) where: Base-Base interactions energy: -752.234 where: short stacking energy: -353.075 Base-Backbone interact. energy: 0.386 local terms energy: -473.628229 where: bonds (distance) C4'-P energy: -111.937 bonds (distance) P-C4' energy: -103.045 flat angles C4'-P-C4' energy: -99.247 flat angles P-C4'-P energy: -88.974 tors. eta vs tors. theta energy: -70.425 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: 412 Temperature: 1.300000 Total energy: -1147.068526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.068526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.068526 (E_RNA) where: Base-Base interactions energy: -720.264 where: short stacking energy: -345.183 Base-Backbone interact. energy: -1.010 local terms energy: -425.794066 where: bonds (distance) C4'-P energy: -88.680 bonds (distance) P-C4' energy: -94.545 flat angles C4'-P-C4' energy: -96.892 flat angles P-C4'-P energy: -72.175 tors. eta vs tors. theta energy: -73.502 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: 4 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -882.007766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.007766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.007766 (E_RNA) where: Base-Base interactions energy: -538.930 where: short stacking energy: -249.650 Base-Backbone interact. energy: 2.365 local terms energy: -345.442507 where: bonds (distance) C4'-P energy: -84.068 bonds (distance) P-C4' energy: -79.755 flat angles C4'-P-C4' energy: -86.263 flat angles P-C4'-P energy: -65.218 tors. eta vs tors. theta energy: -30.139 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: 1, replica: 10 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2234.770426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.770426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.770426 (E_RNA) where: Base-Base interactions energy: -1559.359 where: short stacking energy: -650.106 Base-Backbone interact. energy: -3.190 local terms energy: -672.222255 where: bonds (distance) C4'-P energy: -108.741 bonds (distance) P-C4' energy: -126.424 flat angles C4'-P-C4' energy: -145.656 flat angles P-C4'-P energy: -93.548 tors. eta vs tors. theta energy: -197.853 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: 6 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2120.484234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.484234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.484234 (E_RNA) where: Base-Base interactions energy: -1475.003 where: short stacking energy: -622.916 Base-Backbone interact. energy: -3.464 local terms energy: -642.017880 where: bonds (distance) C4'-P energy: -120.467 bonds (distance) P-C4' energy: -124.830 flat angles C4'-P-C4' energy: -125.320 flat angles P-C4'-P energy: -89.571 tors. eta vs tors. theta energy: -181.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2081.189097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.189097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.189097 (E_RNA) where: Base-Base interactions energy: -1432.852 where: short stacking energy: -603.820 Base-Backbone interact. energy: -2.163 local terms energy: -646.173943 where: bonds (distance) C4'-P energy: -119.893 bonds (distance) P-C4' energy: -119.160 flat angles C4'-P-C4' energy: -143.401 flat angles P-C4'-P energy: -85.336 tors. eta vs tors. theta energy: -178.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2032.926461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.926461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.926461 (E_RNA) where: Base-Base interactions energy: -1431.567 where: short stacking energy: -596.624 Base-Backbone interact. energy: -0.618 local terms energy: -600.742194 where: bonds (distance) C4'-P energy: -107.377 bonds (distance) P-C4' energy: -110.764 flat angles C4'-P-C4' energy: -134.300 flat angles P-C4'-P energy: -76.951 tors. eta vs tors. theta energy: -171.350 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: 7 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1891.688701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.688701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.688701 (E_RNA) where: Base-Base interactions energy: -1327.033 where: short stacking energy: -569.799 Base-Backbone interact. energy: 1.927 local terms energy: -566.582935 where: bonds (distance) C4'-P energy: -105.867 bonds (distance) P-C4' energy: -98.046 flat angles C4'-P-C4' energy: -130.926 flat angles P-C4'-P energy: -81.442 tors. eta vs tors. theta energy: -150.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1834.134932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.134932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.134932 (E_RNA) where: Base-Base interactions energy: -1283.320 where: short stacking energy: -552.578 Base-Backbone interact. energy: -4.997 local terms energy: -545.818033 where: bonds (distance) C4'-P energy: -103.445 bonds (distance) P-C4' energy: -99.281 flat angles C4'-P-C4' energy: -117.162 flat angles P-C4'-P energy: -71.909 tors. eta vs tors. theta energy: -154.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1610.537381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.537381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.537381 (E_RNA) where: Base-Base interactions energy: -1066.573 where: short stacking energy: -496.271 Base-Backbone interact. energy: -2.305 local terms energy: -541.659155 where: bonds (distance) C4'-P energy: -106.358 bonds (distance) P-C4' energy: -107.606 flat angles C4'-P-C4' energy: -122.525 flat angles P-C4'-P energy: -70.108 tors. eta vs tors. theta energy: -135.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1284.559064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.559064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.559064 (E_RNA) where: Base-Base interactions energy: -861.293 where: short stacking energy: -387.509 Base-Backbone interact. energy: -2.861 local terms energy: -420.405623 where: bonds (distance) C4'-P energy: -94.886 bonds (distance) P-C4' energy: -106.500 flat angles C4'-P-C4' energy: -96.217 flat angles P-C4'-P energy: -57.325 tors. eta vs tors. theta energy: -65.478 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: 9 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1104.304574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.304574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.304574 (E_RNA) where: Base-Base interactions energy: -691.096 where: short stacking energy: -319.834 Base-Backbone interact. energy: 11.074 local terms energy: -424.282866 where: bonds (distance) C4'-P energy: -100.164 bonds (distance) P-C4' energy: -106.348 flat angles C4'-P-C4' energy: -105.360 flat angles P-C4'-P energy: -52.811 tors. eta vs tors. theta energy: -59.600 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: 4 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -953.020948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.020948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.020948 (E_RNA) where: Base-Base interactions energy: -558.126 where: short stacking energy: -278.510 Base-Backbone interact. energy: 3.712 local terms energy: -398.606816 where: bonds (distance) C4'-P energy: -84.864 bonds (distance) P-C4' energy: -115.469 flat angles C4'-P-C4' energy: -93.370 flat angles P-C4'-P energy: -61.356 tors. eta vs tors. theta energy: -43.548 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: 10 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2250.870822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.870822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.870822 (E_RNA) where: Base-Base interactions energy: -1574.831 where: short stacking energy: -679.815 Base-Backbone interact. energy: -3.439 local terms energy: -672.600083 where: bonds (distance) C4'-P energy: -126.077 bonds (distance) P-C4' energy: -129.808 flat angles C4'-P-C4' energy: -143.993 flat angles P-C4'-P energy: -79.442 tors. eta vs tors. theta energy: -193.281 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: 6 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2171.355294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.355294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.355294 (E_RNA) where: Base-Base interactions energy: -1491.434 where: short stacking energy: -655.748 Base-Backbone interact. energy: -0.824 local terms energy: -679.097780 where: bonds (distance) C4'-P energy: -122.360 bonds (distance) P-C4' energy: -127.211 flat angles C4'-P-C4' energy: -138.067 flat angles P-C4'-P energy: -88.462 tors. eta vs tors. theta energy: -202.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2070.617648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.617648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.617648 (E_RNA) where: Base-Base interactions energy: -1464.988 where: short stacking energy: -609.675 Base-Backbone interact. energy: -5.474 local terms energy: -600.155808 where: bonds (distance) C4'-P energy: -107.755 bonds (distance) P-C4' energy: -104.940 flat angles C4'-P-C4' energy: -121.422 flat angles P-C4'-P energy: -100.320 tors. eta vs tors. theta energy: -165.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2011.069559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.069559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.069559 (E_RNA) where: Base-Base interactions energy: -1409.562 where: short stacking energy: -586.878 Base-Backbone interact. energy: -3.015 local terms energy: -598.492054 where: bonds (distance) C4'-P energy: -102.551 bonds (distance) P-C4' energy: -120.774 flat angles C4'-P-C4' energy: -122.986 flat angles P-C4'-P energy: -75.716 tors. eta vs tors. theta energy: -176.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1868.189183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.189183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.189183 (E_RNA) where: Base-Base interactions energy: -1295.383 where: short stacking energy: -556.306 Base-Backbone interact. energy: 0.608 local terms energy: -573.414383 where: bonds (distance) C4'-P energy: -112.432 bonds (distance) P-C4' energy: -111.521 flat angles C4'-P-C4' energy: -120.154 flat angles P-C4'-P energy: -75.420 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: 6, replica: 2 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1842.900341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.900341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.900341 (E_RNA) where: Base-Base interactions energy: -1235.411 where: short stacking energy: -562.361 Base-Backbone interact. energy: -0.757 local terms energy: -606.732367 where: bonds (distance) C4'-P energy: -128.000 bonds (distance) P-C4' energy: -105.073 flat angles C4'-P-C4' energy: -116.581 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -165.533 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: 1 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1581.234682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.234682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.234682 (E_RNA) where: Base-Base interactions energy: -1062.309 where: short stacking energy: -486.703 Base-Backbone interact. energy: -1.742 local terms energy: -517.183521 where: bonds (distance) C4'-P energy: -109.652 bonds (distance) P-C4' energy: -90.303 flat angles C4'-P-C4' energy: -126.800 flat angles P-C4'-P energy: -65.805 tors. eta vs tors. theta energy: -124.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1391.666671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.666671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.666671 (E_RNA) where: Base-Base interactions energy: -927.237 where: short stacking energy: -383.093 Base-Backbone interact. energy: -2.202 local terms energy: -462.228037 where: bonds (distance) C4'-P energy: -98.309 bonds (distance) P-C4' energy: -108.986 flat angles C4'-P-C4' energy: -106.807 flat angles P-C4'-P energy: -75.775 tors. eta vs tors. theta energy: -72.351 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: 9 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1068.345524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.345524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.345524 (E_RNA) where: Base-Base interactions energy: -665.413 where: short stacking energy: -322.787 Base-Backbone interact. energy: 2.580 local terms energy: -405.512152 where: bonds (distance) C4'-P energy: -87.131 bonds (distance) P-C4' energy: -110.335 flat angles C4'-P-C4' energy: -85.802 flat angles P-C4'-P energy: -65.806 tors. eta vs tors. theta energy: -56.438 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: 10, replica: 4 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -890.722174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.722174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.722174 (E_RNA) where: Base-Base interactions energy: -508.628 where: short stacking energy: -274.021 Base-Backbone interact. energy: -3.523 local terms energy: -378.571173 where: bonds (distance) C4'-P energy: -104.421 bonds (distance) P-C4' energy: -91.322 flat angles C4'-P-C4' energy: -107.781 flat angles P-C4'-P energy: -57.743 tors. eta vs tors. theta energy: -17.304 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: 10 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2246.414416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.414416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.414416 (E_RNA) where: Base-Base interactions energy: -1567.693 where: short stacking energy: -665.945 Base-Backbone interact. energy: -1.133 local terms energy: -677.588013 where: bonds (distance) C4'-P energy: -114.302 bonds (distance) P-C4' energy: -120.389 flat angles C4'-P-C4' energy: -146.333 flat angles P-C4'-P energy: -99.153 tors. eta vs tors. theta energy: -197.411 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: 6 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2167.127943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.127943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.127943 (E_RNA) where: Base-Base interactions energy: -1499.751 where: short stacking energy: -642.253 Base-Backbone interact. energy: 0.144 local terms energy: -667.520940 where: bonds (distance) C4'-P energy: -124.967 bonds (distance) P-C4' energy: -121.873 flat angles C4'-P-C4' energy: -143.472 flat angles P-C4'-P energy: -93.327 tors. eta vs tors. theta energy: -183.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2082.181605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.181605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.181605 (E_RNA) where: Base-Base interactions energy: -1444.475 where: short stacking energy: -608.228 Base-Backbone interact. energy: -2.352 local terms energy: -635.355092 where: bonds (distance) C4'-P energy: -118.226 bonds (distance) P-C4' energy: -126.447 flat angles C4'-P-C4' energy: -128.773 flat angles P-C4'-P energy: -92.026 tors. eta vs tors. theta energy: -169.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2053.065915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.065915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.065915 (E_RNA) where: Base-Base interactions energy: -1431.594 where: short stacking energy: -596.674 Base-Backbone interact. energy: 1.555 local terms energy: -623.027541 where: bonds (distance) C4'-P energy: -109.679 bonds (distance) P-C4' energy: -121.946 flat angles C4'-P-C4' energy: -126.870 flat angles P-C4'-P energy: -87.008 tors. eta vs tors. theta energy: -177.524 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: 5, replica: 7 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1914.651597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.651597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.651597 (E_RNA) where: Base-Base interactions energy: -1316.838 where: short stacking energy: -561.455 Base-Backbone interact. energy: -3.877 local terms energy: -593.936686 where: bonds (distance) C4'-P energy: -105.632 bonds (distance) P-C4' energy: -92.285 flat angles C4'-P-C4' energy: -137.638 flat angles P-C4'-P energy: -95.320 tors. eta vs tors. theta energy: -163.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1753.717062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.717062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.717062 (E_RNA) where: Base-Base interactions energy: -1208.135 where: short stacking energy: -533.331 Base-Backbone interact. energy: 1.004 local terms energy: -546.585981 where: bonds (distance) C4'-P energy: -88.119 bonds (distance) P-C4' energy: -107.603 flat angles C4'-P-C4' energy: -131.599 flat angles P-C4'-P energy: -73.993 tors. eta vs tors. theta energy: -145.272 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: 1 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1601.716695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.716695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.716695 (E_RNA) where: Base-Base interactions energy: -1088.943 where: short stacking energy: -498.900 Base-Backbone interact. energy: -3.122 local terms energy: -509.651618 where: bonds (distance) C4'-P energy: -108.605 bonds (distance) P-C4' energy: -89.421 flat angles C4'-P-C4' energy: -113.415 flat angles P-C4'-P energy: -71.556 tors. eta vs tors. theta energy: -126.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1291.462008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.462008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.462008 (E_RNA) where: Base-Base interactions energy: -839.394 where: short stacking energy: -369.939 Base-Backbone interact. energy: -6.399 local terms energy: -445.669094 where: bonds (distance) C4'-P energy: -95.246 bonds (distance) P-C4' energy: -91.212 flat angles C4'-P-C4' energy: -115.238 flat angles P-C4'-P energy: -66.783 tors. eta vs tors. theta energy: -77.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1044.441811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.441811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.441811 (E_RNA) where: Base-Base interactions energy: -645.167 where: short stacking energy: -292.831 Base-Backbone interact. energy: 6.427 local terms energy: -405.701857 where: bonds (distance) C4'-P energy: -88.477 bonds (distance) P-C4' energy: -104.205 flat angles C4'-P-C4' energy: -94.205 flat angles P-C4'-P energy: -70.125 tors. eta vs tors. theta energy: -48.690 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: 10, replica: 4 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -874.720186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.720186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.720186 (E_RNA) where: Base-Base interactions energy: -511.647 where: short stacking energy: -261.023 Base-Backbone interact. energy: 1.632 local terms energy: -364.705113 where: bonds (distance) C4'-P energy: -93.583 bonds (distance) P-C4' energy: -88.980 flat angles C4'-P-C4' energy: -101.827 flat angles P-C4'-P energy: -57.750 tors. eta vs tors. theta energy: -22.565 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: 10 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2264.733849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.733849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.733849 (E_RNA) where: Base-Base interactions energy: -1583.194 where: short stacking energy: -672.043 Base-Backbone interact. energy: -3.201 local terms energy: -678.338476 where: bonds (distance) C4'-P energy: -126.946 bonds (distance) P-C4' energy: -123.065 flat angles C4'-P-C4' energy: -140.370 flat angles P-C4'-P energy: -92.585 tors. eta vs tors. theta energy: -195.373 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: 6 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2176.773576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.773576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.773576 (E_RNA) where: Base-Base interactions energy: -1508.863 where: short stacking energy: -648.860 Base-Backbone interact. energy: -0.984 local terms energy: -666.927010 where: bonds (distance) C4'-P energy: -137.364 bonds (distance) P-C4' energy: -112.593 flat angles C4'-P-C4' energy: -138.141 flat angles P-C4'-P energy: -92.291 tors. eta vs tors. theta energy: -186.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2100.326909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.326909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.326909 (E_RNA) where: Base-Base interactions energy: -1488.274 where: short stacking energy: -624.799 Base-Backbone interact. energy: -1.715 local terms energy: -610.337942 where: bonds (distance) C4'-P energy: -113.754 bonds (distance) P-C4' energy: -113.734 flat angles C4'-P-C4' energy: -131.962 flat angles P-C4'-P energy: -76.566 tors. eta vs tors. theta energy: -174.322 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: 4, replica: 3 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2060.019298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.019298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.019298 (E_RNA) where: Base-Base interactions energy: -1435.667 where: short stacking energy: -598.136 Base-Backbone interact. energy: -3.636 local terms energy: -620.715899 where: bonds (distance) C4'-P energy: -113.935 bonds (distance) P-C4' energy: -113.425 flat angles C4'-P-C4' energy: -135.058 flat angles P-C4'-P energy: -82.938 tors. eta vs tors. theta energy: -175.360 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: 5, replica: 7 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1861.767049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.767049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.767049 (E_RNA) where: Base-Base interactions energy: -1282.850 where: short stacking energy: -556.986 Base-Backbone interact. energy: -0.796 local terms energy: -578.121741 where: bonds (distance) C4'-P energy: -119.628 bonds (distance) P-C4' energy: -118.236 flat angles C4'-P-C4' energy: -120.970 flat angles P-C4'-P energy: -73.765 tors. eta vs tors. theta energy: -145.522 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: 2 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1714.536477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.536477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.536477 (E_RNA) where: Base-Base interactions energy: -1165.155 where: short stacking energy: -532.866 Base-Backbone interact. energy: 1.843 local terms energy: -551.224424 where: bonds (distance) C4'-P energy: -92.014 bonds (distance) P-C4' energy: -112.638 flat angles C4'-P-C4' energy: -117.639 flat angles P-C4'-P energy: -81.617 tors. eta vs tors. theta energy: -147.316 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: 7, replica: 1 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1629.221150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.221150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.221150 (E_RNA) where: Base-Base interactions energy: -1125.447 where: short stacking energy: -512.233 Base-Backbone interact. energy: 0.275 local terms energy: -504.048749 where: bonds (distance) C4'-P energy: -92.653 bonds (distance) P-C4' energy: -121.430 flat angles C4'-P-C4' energy: -102.452 flat angles P-C4'-P energy: -58.106 tors. eta vs tors. theta energy: -129.408 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: 8 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1338.371224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.371224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.371224 (E_RNA) where: Base-Base interactions energy: -883.019 where: short stacking energy: -387.119 Base-Backbone interact. energy: -4.452 local terms energy: -450.900220 where: bonds (distance) C4'-P energy: -76.100 bonds (distance) P-C4' energy: -109.797 flat angles C4'-P-C4' energy: -108.909 flat angles P-C4'-P energy: -62.186 tors. eta vs tors. theta energy: -93.908 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: 416 Temperature: 1.300000 Total energy: -1065.755494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.755494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.755494 (E_RNA) where: Base-Base interactions energy: -671.826 where: short stacking energy: -318.013 Base-Backbone interact. energy: 0.183 local terms energy: -394.113355 where: bonds (distance) C4'-P energy: -99.355 bonds (distance) P-C4' energy: -112.211 flat angles C4'-P-C4' energy: -65.207 flat angles P-C4'-P energy: -59.304 tors. eta vs tors. theta energy: -58.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -879.837270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.837270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.837270 (E_RNA) where: Base-Base interactions energy: -530.133 where: short stacking energy: -273.286 Base-Backbone interact. energy: -0.916 local terms energy: -348.789079 where: bonds (distance) C4'-P energy: -77.151 bonds (distance) P-C4' energy: -82.421 flat angles C4'-P-C4' energy: -102.932 flat angles P-C4'-P energy: -52.958 tors. eta vs tors. theta energy: -33.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2247.302513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.302513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.302513 (E_RNA) where: Base-Base interactions energy: -1564.131 where: short stacking energy: -660.824 Base-Backbone interact. energy: -0.967 local terms energy: -682.203740 where: bonds (distance) C4'-P energy: -119.956 bonds (distance) P-C4' energy: -125.899 flat angles C4'-P-C4' energy: -147.981 flat angles P-C4'-P energy: -92.913 tors. eta vs tors. theta energy: -195.455 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: 6 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2185.564455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.564455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.564455 (E_RNA) where: Base-Base interactions energy: -1530.892 where: short stacking energy: -633.814 Base-Backbone interact. energy: -3.291 local terms energy: -651.381188 where: bonds (distance) C4'-P energy: -111.353 bonds (distance) P-C4' energy: -118.568 flat angles C4'-P-C4' energy: -133.558 flat angles P-C4'-P energy: -94.599 tors. eta vs tors. theta energy: -193.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2058.576920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.576920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.576920 (E_RNA) where: Base-Base interactions energy: -1447.658 where: short stacking energy: -624.790 Base-Backbone interact. energy: 1.072 local terms energy: -611.990726 where: bonds (distance) C4'-P energy: -106.867 bonds (distance) P-C4' energy: -119.287 flat angles C4'-P-C4' energy: -135.238 flat angles P-C4'-P energy: -76.393 tors. eta vs tors. theta energy: -174.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2017.315881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.315881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.315881 (E_RNA) where: Base-Base interactions energy: -1418.755 where: short stacking energy: -582.733 Base-Backbone interact. energy: 4.492 local terms energy: -603.052623 where: bonds (distance) C4'-P energy: -104.356 bonds (distance) P-C4' energy: -117.326 flat angles C4'-P-C4' energy: -129.968 flat angles P-C4'-P energy: -91.287 tors. eta vs tors. theta energy: -160.114 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: 7 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1873.390154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.390154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.390154 (E_RNA) where: Base-Base interactions energy: -1297.393 where: short stacking energy: -552.175 Base-Backbone interact. energy: -2.551 local terms energy: -573.446629 where: bonds (distance) C4'-P energy: -110.101 bonds (distance) P-C4' energy: -103.765 flat angles C4'-P-C4' energy: -131.701 flat angles P-C4'-P energy: -68.424 tors. eta vs tors. theta energy: -159.457 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: 2 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1730.247028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.247028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.247028 (E_RNA) where: Base-Base interactions energy: -1189.043 where: short stacking energy: -520.041 Base-Backbone interact. energy: -3.519 local terms energy: -537.685091 where: bonds (distance) C4'-P energy: -90.657 bonds (distance) P-C4' energy: -99.988 flat angles C4'-P-C4' energy: -116.051 flat angles P-C4'-P energy: -93.647 tors. eta vs tors. theta energy: -137.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1649.033403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.033403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.033403 (E_RNA) where: Base-Base interactions energy: -1114.385 where: short stacking energy: -530.214 Base-Backbone interact. energy: -3.796 local terms energy: -530.852486 where: bonds (distance) C4'-P energy: -88.867 bonds (distance) P-C4' energy: -111.233 flat angles C4'-P-C4' energy: -125.882 flat angles P-C4'-P energy: -78.876 tors. eta vs tors. theta energy: -125.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1313.931468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.931468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.931468 (E_RNA) where: Base-Base interactions energy: -877.660 where: short stacking energy: -385.771 Base-Backbone interact. energy: 8.841 local terms energy: -445.111857 where: bonds (distance) C4'-P energy: -93.772 bonds (distance) P-C4' energy: -93.454 flat angles C4'-P-C4' energy: -119.068 flat angles P-C4'-P energy: -56.167 tors. eta vs tors. theta energy: -82.652 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: 417 Temperature: 1.300000 Total energy: -1008.996648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.996648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.996648 (E_RNA) where: Base-Base interactions energy: -628.338 where: short stacking energy: -292.846 Base-Backbone interact. energy: 0.569 local terms energy: -381.227130 where: bonds (distance) C4'-P energy: -94.628 bonds (distance) P-C4' energy: -95.009 flat angles C4'-P-C4' energy: -92.052 flat angles P-C4'-P energy: -53.808 tors. eta vs tors. theta energy: -45.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -909.752136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.752136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.752136 (E_RNA) where: Base-Base interactions energy: -553.678 where: short stacking energy: -267.886 Base-Backbone interact. energy: 0.542 local terms energy: -356.615749 where: bonds (distance) C4'-P energy: -74.942 bonds (distance) P-C4' energy: -99.088 flat angles C4'-P-C4' energy: -98.893 flat angles P-C4'-P energy: -53.825 tors. eta vs tors. theta energy: -29.867 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: 1, replica: 10 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2237.717236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.717236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.717236 (E_RNA) where: Base-Base interactions energy: -1553.472 where: short stacking energy: -677.317 Base-Backbone interact. energy: -3.465 local terms energy: -680.780778 where: bonds (distance) C4'-P energy: -119.360 bonds (distance) P-C4' energy: -128.638 flat angles C4'-P-C4' energy: -146.743 flat angles P-C4'-P energy: -90.377 tors. eta vs tors. theta energy: -195.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2169.247029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.247029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.247029 (E_RNA) where: Base-Base interactions energy: -1494.924 where: short stacking energy: -641.332 Base-Backbone interact. energy: -2.285 local terms energy: -672.037743 where: bonds (distance) C4'-P energy: -116.104 bonds (distance) P-C4' energy: -129.385 flat angles C4'-P-C4' energy: -127.332 flat angles P-C4'-P energy: -104.309 tors. eta vs tors. theta energy: -194.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2102.474162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.474162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.474162 (E_RNA) where: Base-Base interactions energy: -1474.008 where: short stacking energy: -614.615 Base-Backbone interact. energy: -2.705 local terms energy: -625.761582 where: bonds (distance) C4'-P energy: -107.518 bonds (distance) P-C4' energy: -114.318 flat angles C4'-P-C4' energy: -137.287 flat angles P-C4'-P energy: -89.260 tors. eta vs tors. theta energy: -177.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2029.225969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.225969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.225969 (E_RNA) where: Base-Base interactions energy: -1401.756 where: short stacking energy: -596.186 Base-Backbone interact. energy: 0.419 local terms energy: -627.888975 where: bonds (distance) C4'-P energy: -114.472 bonds (distance) P-C4' energy: -113.894 flat angles C4'-P-C4' energy: -128.548 flat angles P-C4'-P energy: -92.767 tors. eta vs tors. theta energy: -178.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1897.037853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.037853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.037853 (E_RNA) where: Base-Base interactions energy: -1308.100 where: short stacking energy: -567.602 Base-Backbone interact. energy: -0.828 local terms energy: -588.109243 where: bonds (distance) C4'-P energy: -113.487 bonds (distance) P-C4' energy: -111.064 flat angles C4'-P-C4' energy: -124.179 flat angles P-C4'-P energy: -72.199 tors. eta vs tors. theta energy: -167.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1734.750933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.750933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.750933 (E_RNA) where: Base-Base interactions energy: -1191.533 where: short stacking energy: -519.139 Base-Backbone interact. energy: -3.603 local terms energy: -539.614979 where: bonds (distance) C4'-P energy: -101.019 bonds (distance) P-C4' energy: -116.652 flat angles C4'-P-C4' energy: -111.491 flat angles P-C4'-P energy: -71.547 tors. eta vs tors. theta energy: -138.905 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: 7, replica: 1 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1574.388684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.388684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.388684 (E_RNA) where: Base-Base interactions energy: -1058.409 where: short stacking energy: -469.235 Base-Backbone interact. energy: 0.019 local terms energy: -515.998619 where: bonds (distance) C4'-P energy: -113.630 bonds (distance) P-C4' energy: -101.742 flat angles C4'-P-C4' energy: -106.297 flat angles P-C4'-P energy: -75.416 tors. eta vs tors. theta energy: -118.915 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: 8, replica: 8 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1358.120167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.120167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.120167 (E_RNA) where: Base-Base interactions energy: -913.625 where: short stacking energy: -375.645 Base-Backbone interact. energy: -0.657 local terms energy: -443.837942 where: bonds (distance) C4'-P energy: -103.494 bonds (distance) P-C4' energy: -93.571 flat angles C4'-P-C4' energy: -95.062 flat angles P-C4'-P energy: -65.336 tors. eta vs tors. theta energy: -86.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -962.203549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.203549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.203549 (E_RNA) where: Base-Base interactions energy: -580.424 where: short stacking energy: -308.707 Base-Backbone interact. energy: -2.192 local terms energy: -379.587301 where: bonds (distance) C4'-P energy: -75.425 bonds (distance) P-C4' energy: -99.886 flat angles C4'-P-C4' energy: -114.296 flat angles P-C4'-P energy: -55.721 tors. eta vs tors. theta energy: -34.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -933.822172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.822172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.822172 (E_RNA) where: Base-Base interactions energy: -586.407 where: short stacking energy: -293.967 Base-Backbone interact. energy: 0.229 local terms energy: -347.644087 where: bonds (distance) C4'-P energy: -71.569 bonds (distance) P-C4' energy: -97.426 flat angles C4'-P-C4' energy: -87.955 flat angles P-C4'-P energy: -48.764 tors. eta vs tors. theta energy: -41.931 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: 10 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2237.781311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.781311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.781311 (E_RNA) where: Base-Base interactions energy: -1581.782 where: short stacking energy: -656.980 Base-Backbone interact. energy: -2.039 local terms energy: -653.960622 where: bonds (distance) C4'-P energy: -126.807 bonds (distance) P-C4' energy: -124.765 flat angles C4'-P-C4' energy: -134.934 flat angles P-C4'-P energy: -86.641 tors. eta vs tors. theta energy: -180.814 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: 2, replica: 6 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2143.943738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.943738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.943738 (E_RNA) where: Base-Base interactions energy: -1488.276 where: short stacking energy: -616.837 Base-Backbone interact. energy: -2.790 local terms energy: -652.877342 where: bonds (distance) C4'-P energy: -116.398 bonds (distance) P-C4' energy: -111.208 flat angles C4'-P-C4' energy: -139.085 flat angles P-C4'-P energy: -101.030 tors. eta vs tors. theta energy: -185.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2090.087342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.087342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.087342 (E_RNA) where: Base-Base interactions energy: -1461.436 where: short stacking energy: -615.657 Base-Backbone interact. energy: -0.450 local terms energy: -628.201311 where: bonds (distance) C4'-P energy: -118.845 bonds (distance) P-C4' energy: -123.824 flat angles C4'-P-C4' energy: -134.339 flat angles P-C4'-P energy: -73.578 tors. eta vs tors. theta energy: -177.615 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: 3 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2028.867125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.867125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.867125 (E_RNA) where: Base-Base interactions energy: -1425.513 where: short stacking energy: -595.567 Base-Backbone interact. energy: -0.047 local terms energy: -603.306607 where: bonds (distance) C4'-P energy: -99.037 bonds (distance) P-C4' energy: -95.728 flat angles C4'-P-C4' energy: -135.601 flat angles P-C4'-P energy: -94.979 tors. eta vs tors. theta energy: -177.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1903.453187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.453187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.453187 (E_RNA) where: Base-Base interactions energy: -1347.313 where: short stacking energy: -550.499 Base-Backbone interact. energy: -1.595 local terms energy: -554.545316 where: bonds (distance) C4'-P energy: -92.803 bonds (distance) P-C4' energy: -112.331 flat angles C4'-P-C4' energy: -129.046 flat angles P-C4'-P energy: -81.492 tors. eta vs tors. theta energy: -138.873 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: 2 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1854.324546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.324546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.324546 (E_RNA) where: Base-Base interactions energy: -1270.702 where: short stacking energy: -558.730 Base-Backbone interact. energy: -3.689 local terms energy: -579.933744 where: bonds (distance) C4'-P energy: -102.271 bonds (distance) P-C4' energy: -104.587 flat angles C4'-P-C4' energy: -119.619 flat angles P-C4'-P energy: -87.684 tors. eta vs tors. theta energy: -165.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1570.692125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.692125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.692125 (E_RNA) where: Base-Base interactions energy: -1070.566 where: short stacking energy: -478.825 Base-Backbone interact. energy: -2.577 local terms energy: -497.549578 where: bonds (distance) C4'-P energy: -90.220 bonds (distance) P-C4' energy: -111.349 flat angles C4'-P-C4' energy: -113.068 flat angles P-C4'-P energy: -62.091 tors. eta vs tors. theta energy: -120.822 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: 8, replica: 8 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1354.394953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.394953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.394953 (E_RNA) where: Base-Base interactions energy: -928.694 where: short stacking energy: -376.745 Base-Backbone interact. energy: -0.045 local terms energy: -425.656217 where: bonds (distance) C4'-P energy: -88.976 bonds (distance) P-C4' energy: -116.435 flat angles C4'-P-C4' energy: -98.149 flat angles P-C4'-P energy: -53.304 tors. eta vs tors. theta energy: -68.792 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: 4 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -965.461561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.461561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.461561 (E_RNA) where: Base-Base interactions energy: -568.631 where: short stacking energy: -271.476 Base-Backbone interact. energy: -2.264 local terms energy: -394.566839 where: bonds (distance) C4'-P energy: -104.633 bonds (distance) P-C4' energy: -88.549 flat angles C4'-P-C4' energy: -86.485 flat angles P-C4'-P energy: -68.501 tors. eta vs tors. theta energy: -46.399 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: 10, replica: 9 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -980.097695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.097695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.097695 (E_RNA) where: Base-Base interactions energy: -613.655 where: short stacking energy: -284.457 Base-Backbone interact. energy: -2.136 local terms energy: -364.306941 where: bonds (distance) C4'-P energy: -96.986 bonds (distance) P-C4' energy: -95.066 flat angles C4'-P-C4' energy: -86.818 flat angles P-C4'-P energy: -52.835 tors. eta vs tors. theta energy: -32.602 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: 10 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2268.579366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.579366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.579366 (E_RNA) where: Base-Base interactions energy: -1557.185 where: short stacking energy: -663.318 Base-Backbone interact. energy: -2.370 local terms energy: -709.024231 where: bonds (distance) C4'-P energy: -121.266 bonds (distance) P-C4' energy: -129.854 flat angles C4'-P-C4' energy: -147.684 flat angles P-C4'-P energy: -101.925 tors. eta vs tors. theta energy: -208.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2163.830700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.830700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.830700 (E_RNA) where: Base-Base interactions energy: -1508.328 where: short stacking energy: -643.825 Base-Backbone interact. energy: -2.395 local terms energy: -653.106986 where: bonds (distance) C4'-P energy: -104.182 bonds (distance) P-C4' energy: -132.870 flat angles C4'-P-C4' energy: -131.208 flat angles P-C4'-P energy: -101.700 tors. eta vs tors. theta energy: -183.147 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: 3, replica: 5 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2100.977609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.977609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.977609 (E_RNA) where: Base-Base interactions energy: -1461.746 where: short stacking energy: -617.369 Base-Backbone interact. energy: -2.814 local terms energy: -636.417127 where: bonds (distance) C4'-P energy: -109.633 bonds (distance) P-C4' energy: -113.570 flat angles C4'-P-C4' energy: -137.064 flat angles P-C4'-P energy: -97.482 tors. eta vs tors. theta energy: -178.669 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: 4, replica: 3 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2006.941807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.941807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.941807 (E_RNA) where: Base-Base interactions energy: -1404.309 where: short stacking energy: -580.810 Base-Backbone interact. energy: -3.309 local terms energy: -599.323041 where: bonds (distance) C4'-P energy: -110.216 bonds (distance) P-C4' energy: -112.923 flat angles C4'-P-C4' energy: -131.772 flat angles P-C4'-P energy: -75.239 tors. eta vs tors. theta energy: -169.172 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: 5, replica: 7 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1908.126597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.126597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.126597 (E_RNA) where: Base-Base interactions energy: -1338.565 where: short stacking energy: -588.428 Base-Backbone interact. energy: -2.942 local terms energy: -566.619099 where: bonds (distance) C4'-P energy: -102.232 bonds (distance) P-C4' energy: -106.943 flat angles C4'-P-C4' energy: -110.348 flat angles P-C4'-P energy: -80.800 tors. eta vs tors. theta energy: -166.296 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: 6, replica: 2 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1838.916311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.916311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.916311 (E_RNA) where: Base-Base interactions energy: -1286.246 where: short stacking energy: -549.257 Base-Backbone interact. energy: -1.999 local terms energy: -550.671374 where: bonds (distance) C4'-P energy: -97.683 bonds (distance) P-C4' energy: -109.362 flat angles C4'-P-C4' energy: -125.193 flat angles P-C4'-P energy: -84.036 tors. eta vs tors. theta energy: -134.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1666.540459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.540459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.540459 (E_RNA) where: Base-Base interactions energy: -1139.995 where: short stacking energy: -515.995 Base-Backbone interact. energy: -0.130 local terms energy: -526.414610 where: bonds (distance) C4'-P energy: -93.995 bonds (distance) P-C4' energy: -95.436 flat angles C4'-P-C4' energy: -116.470 flat angles P-C4'-P energy: -77.182 tors. eta vs tors. theta energy: -143.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1331.830597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.830597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.830597 (E_RNA) where: Base-Base interactions energy: -902.424 where: short stacking energy: -376.032 Base-Backbone interact. energy: 5.563 local terms energy: -434.970112 where: bonds (distance) C4'-P energy: -83.128 bonds (distance) P-C4' energy: -108.841 flat angles C4'-P-C4' energy: -116.897 flat angles P-C4'-P energy: -54.649 tors. eta vs tors. theta energy: -71.455 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: 420 Temperature: 1.300000 Total energy: -1088.989315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.989315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.989315 (E_RNA) where: Base-Base interactions energy: -665.148 where: short stacking energy: -320.993 Base-Backbone interact. energy: -1.780 local terms energy: -422.061739 where: bonds (distance) C4'-P energy: -104.316 bonds (distance) P-C4' energy: -86.329 flat angles C4'-P-C4' energy: -109.085 flat angles P-C4'-P energy: -63.585 tors. eta vs tors. theta energy: -58.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -884.282527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.282527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.282527 (E_RNA) where: Base-Base interactions energy: -496.398 where: short stacking energy: -262.653 Base-Backbone interact. energy: -0.245 local terms energy: -387.638703 where: bonds (distance) C4'-P energy: -102.400 bonds (distance) P-C4' energy: -94.780 flat angles C4'-P-C4' energy: -96.484 flat angles P-C4'-P energy: -66.605 tors. eta vs tors. theta energy: -27.370 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: 10 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2270.319132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.319132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.319132 (E_RNA) where: Base-Base interactions energy: -1576.105 where: short stacking energy: -691.612 Base-Backbone interact. energy: -1.377 local terms energy: -692.836949 where: bonds (distance) C4'-P energy: -124.082 bonds (distance) P-C4' energy: -118.445 flat angles C4'-P-C4' energy: -151.261 flat angles P-C4'-P energy: -92.720 tors. eta vs tors. theta energy: -206.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2145.096054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.096054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.096054 (E_RNA) where: Base-Base interactions energy: -1488.003 where: short stacking energy: -638.087 Base-Backbone interact. energy: -3.101 local terms energy: -653.991520 where: bonds (distance) C4'-P energy: -119.276 bonds (distance) P-C4' energy: -123.731 flat angles C4'-P-C4' energy: -136.142 flat angles P-C4'-P energy: -93.924 tors. eta vs tors. theta energy: -180.919 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: 5 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2087.351136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.351136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.351136 (E_RNA) where: Base-Base interactions energy: -1455.380 where: short stacking energy: -606.253 Base-Backbone interact. energy: 2.420 local terms energy: -634.390954 where: bonds (distance) C4'-P energy: -113.196 bonds (distance) P-C4' energy: -115.406 flat angles C4'-P-C4' energy: -143.314 flat angles P-C4'-P energy: -93.165 tors. eta vs tors. theta energy: -169.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1984.743511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.743511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.743511 (E_RNA) where: Base-Base interactions energy: -1389.753 where: short stacking energy: -577.437 Base-Backbone interact. energy: -0.959 local terms energy: -594.030914 where: bonds (distance) C4'-P energy: -114.083 bonds (distance) P-C4' energy: -109.609 flat angles C4'-P-C4' energy: -140.226 flat angles P-C4'-P energy: -77.068 tors. eta vs tors. theta energy: -153.044 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: 7 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1909.098296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.098296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.098296 (E_RNA) where: Base-Base interactions energy: -1349.899 where: short stacking energy: -550.631 Base-Backbone interact. energy: 4.997 local terms energy: -564.196059 where: bonds (distance) C4'-P energy: -99.907 bonds (distance) P-C4' energy: -114.994 flat angles C4'-P-C4' energy: -120.043 flat angles P-C4'-P energy: -75.772 tors. eta vs tors. theta energy: -153.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1763.229281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.229281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.229281 (E_RNA) where: Base-Base interactions energy: -1221.497 where: short stacking energy: -537.916 Base-Backbone interact. energy: -4.037 local terms energy: -537.695402 where: bonds (distance) C4'-P energy: -95.069 bonds (distance) P-C4' energy: -99.345 flat angles C4'-P-C4' energy: -117.153 flat angles P-C4'-P energy: -86.607 tors. eta vs tors. theta energy: -139.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1688.296853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.296853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.296853 (E_RNA) where: Base-Base interactions energy: -1149.482 where: short stacking energy: -497.836 Base-Backbone interact. energy: -6.485 local terms energy: -532.329661 where: bonds (distance) C4'-P energy: -96.147 bonds (distance) P-C4' energy: -96.397 flat angles C4'-P-C4' energy: -133.403 flat angles P-C4'-P energy: -77.034 tors. eta vs tors. theta energy: -129.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1368.193670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.193670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.193670 (E_RNA) where: Base-Base interactions energy: -883.297 where: short stacking energy: -387.151 Base-Backbone interact. energy: -0.297 local terms energy: -484.599547 where: bonds (distance) C4'-P energy: -91.810 bonds (distance) P-C4' energy: -121.010 flat angles C4'-P-C4' energy: -109.627 flat angles P-C4'-P energy: -77.844 tors. eta vs tors. theta energy: -84.308 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: 421 Temperature: 1.300000 Total energy: -1069.096605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.096605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.096605 (E_RNA) where: Base-Base interactions energy: -643.426 where: short stacking energy: -302.929 Base-Backbone interact. energy: 7.512 local terms energy: -433.182280 where: bonds (distance) C4'-P energy: -103.501 bonds (distance) P-C4' energy: -107.159 flat angles C4'-P-C4' energy: -103.760 flat angles P-C4'-P energy: -76.369 tors. eta vs tors. theta energy: -42.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -880.067495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.067495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.067495 (E_RNA) where: Base-Base interactions energy: -518.271 where: short stacking energy: -242.659 Base-Backbone interact. energy: 0.561 local terms energy: -362.357071 where: bonds (distance) C4'-P energy: -109.891 bonds (distance) P-C4' energy: -94.113 flat angles C4'-P-C4' energy: -81.269 flat angles P-C4'-P energy: -63.211 tors. eta vs tors. theta energy: -13.873 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: 10 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2273.224355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.224355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.224355 (E_RNA) where: Base-Base interactions energy: -1607.759 where: short stacking energy: -683.908 Base-Backbone interact. energy: -0.282 local terms energy: -665.182671 where: bonds (distance) C4'-P energy: -122.017 bonds (distance) P-C4' energy: -122.644 flat angles C4'-P-C4' energy: -137.115 flat angles P-C4'-P energy: -90.352 tors. eta vs tors. theta energy: -193.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2158.211462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.211462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.211462 (E_RNA) where: Base-Base interactions energy: -1510.323 where: short stacking energy: -641.147 Base-Backbone interact. energy: 1.684 local terms energy: -649.571717 where: bonds (distance) C4'-P energy: -110.141 bonds (distance) P-C4' energy: -111.369 flat angles C4'-P-C4' energy: -133.481 flat angles P-C4'-P energy: -106.242 tors. eta vs tors. theta energy: -188.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2095.587689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.587689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.587689 (E_RNA) where: Base-Base interactions energy: -1481.298 where: short stacking energy: -602.318 Base-Backbone interact. energy: -3.304 local terms energy: -610.984935 where: bonds (distance) C4'-P energy: -102.506 bonds (distance) P-C4' energy: -115.949 flat angles C4'-P-C4' energy: -130.397 flat angles P-C4'-P energy: -85.405 tors. eta vs tors. theta energy: -176.729 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: 3 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2025.199224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.199224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.199224 (E_RNA) where: Base-Base interactions energy: -1412.965 where: short stacking energy: -590.739 Base-Backbone interact. energy: -0.230 local terms energy: -612.005065 where: bonds (distance) C4'-P energy: -102.603 bonds (distance) P-C4' energy: -122.702 flat angles C4'-P-C4' energy: -130.987 flat angles P-C4'-P energy: -91.282 tors. eta vs tors. theta energy: -164.431 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: 7 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1899.861473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.861473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.861473 (E_RNA) where: Base-Base interactions energy: -1308.523 where: short stacking energy: -576.015 Base-Backbone interact. energy: -3.044 local terms energy: -588.294297 where: bonds (distance) C4'-P energy: -103.354 bonds (distance) P-C4' energy: -114.759 flat angles C4'-P-C4' energy: -130.857 flat angles P-C4'-P energy: -84.859 tors. eta vs tors. theta energy: -154.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1736.873228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.873228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.873228 (E_RNA) where: Base-Base interactions energy: -1203.227 where: short stacking energy: -522.479 Base-Backbone interact. energy: -1.972 local terms energy: -531.673779 where: bonds (distance) C4'-P energy: -96.611 bonds (distance) P-C4' energy: -105.788 flat angles C4'-P-C4' energy: -123.661 flat angles P-C4'-P energy: -74.142 tors. eta vs tors. theta energy: -131.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1593.459131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.459131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.459131 (E_RNA) where: Base-Base interactions energy: -1054.716 where: short stacking energy: -468.435 Base-Backbone interact. energy: -0.368 local terms energy: -538.374295 where: bonds (distance) C4'-P energy: -117.672 bonds (distance) P-C4' energy: -109.168 flat angles C4'-P-C4' energy: -121.274 flat angles P-C4'-P energy: -70.926 tors. eta vs tors. theta energy: -119.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1311.342600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.342600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.342600 (E_RNA) where: Base-Base interactions energy: -849.914 where: short stacking energy: -384.099 Base-Backbone interact. energy: -0.813 local terms energy: -460.615325 where: bonds (distance) C4'-P energy: -120.646 bonds (distance) P-C4' energy: -111.413 flat angles C4'-P-C4' energy: -102.189 flat angles P-C4'-P energy: -54.306 tors. eta vs tors. theta energy: -72.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1086.500526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.500526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.500526 (E_RNA) where: Base-Base interactions energy: -662.403 where: short stacking energy: -314.581 Base-Backbone interact. energy: 3.520 local terms energy: -427.617732 where: bonds (distance) C4'-P energy: -111.010 bonds (distance) P-C4' energy: -102.374 flat angles C4'-P-C4' energy: -96.577 flat angles P-C4'-P energy: -58.715 tors. eta vs tors. theta energy: -58.941 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: 4 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -885.097970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.097970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.097970 (E_RNA) where: Base-Base interactions energy: -484.614 where: short stacking energy: -263.128 Base-Backbone interact. energy: -3.919 local terms energy: -396.565536 where: bonds (distance) C4'-P energy: -91.314 bonds (distance) P-C4' energy: -110.560 flat angles C4'-P-C4' energy: -108.933 flat angles P-C4'-P energy: -45.589 tors. eta vs tors. theta energy: -40.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2250.010346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.010346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.010346 (E_RNA) where: Base-Base interactions energy: -1579.324 where: short stacking energy: -668.713 Base-Backbone interact. energy: -2.171 local terms energy: -668.514824 where: bonds (distance) C4'-P energy: -106.413 bonds (distance) P-C4' energy: -115.095 flat angles C4'-P-C4' energy: -138.489 flat angles P-C4'-P energy: -112.833 tors. eta vs tors. theta energy: -195.685 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: 2, replica: 6 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2149.792430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.792430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.792430 (E_RNA) where: Base-Base interactions energy: -1527.323 where: short stacking energy: -636.808 Base-Backbone interact. energy: 0.838 local terms energy: -623.308353 where: bonds (distance) C4'-P energy: -106.694 bonds (distance) P-C4' energy: -103.503 flat angles C4'-P-C4' energy: -139.847 flat angles P-C4'-P energy: -94.293 tors. eta vs tors. theta energy: -178.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2116.062666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.062666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.062666 (E_RNA) where: Base-Base interactions energy: -1478.850 where: short stacking energy: -621.679 Base-Backbone interact. energy: 3.599 local terms energy: -640.811728 where: bonds (distance) C4'-P energy: -116.896 bonds (distance) P-C4' energy: -119.424 flat angles C4'-P-C4' energy: -137.228 flat angles P-C4'-P energy: -89.402 tors. eta vs tors. theta energy: -177.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2016.437431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.437431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.437431 (E_RNA) where: Base-Base interactions energy: -1408.058 where: short stacking energy: -607.081 Base-Backbone interact. energy: -1.018 local terms energy: -607.361336 where: bonds (distance) C4'-P energy: -125.100 bonds (distance) P-C4' energy: -105.345 flat angles C4'-P-C4' energy: -126.281 flat angles P-C4'-P energy: -86.123 tors. eta vs tors. theta energy: -164.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1934.044170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.044170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.044170 (E_RNA) where: Base-Base interactions energy: -1329.070 where: short stacking energy: -597.472 Base-Backbone interact. energy: 0.554 local terms energy: -605.527962 where: bonds (distance) C4'-P energy: -98.323 bonds (distance) P-C4' energy: -114.125 flat angles C4'-P-C4' energy: -139.427 flat angles P-C4'-P energy: -87.029 tors. eta vs tors. theta energy: -166.624 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: 2 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1759.968411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.968411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.968411 (E_RNA) where: Base-Base interactions energy: -1194.368 where: short stacking energy: -508.196 Base-Backbone interact. energy: -3.046 local terms energy: -562.555074 where: bonds (distance) C4'-P energy: -103.302 bonds (distance) P-C4' energy: -112.450 flat angles C4'-P-C4' energy: -131.459 flat angles P-C4'-P energy: -81.628 tors. eta vs tors. theta energy: -133.716 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: 1 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1655.427331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.427331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.427331 (E_RNA) where: Base-Base interactions energy: -1086.120 where: short stacking energy: -488.177 Base-Backbone interact. energy: -2.164 local terms energy: -567.143857 where: bonds (distance) C4'-P energy: -107.407 bonds (distance) P-C4' energy: -111.600 flat angles C4'-P-C4' energy: -131.618 flat angles P-C4'-P energy: -81.439 tors. eta vs tors. theta energy: -135.079 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: 8, replica: 8 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1352.947381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.947381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.947381 (E_RNA) where: Base-Base interactions energy: -889.167 where: short stacking energy: -392.358 Base-Backbone interact. energy: 0.224 local terms energy: -464.003945 where: bonds (distance) C4'-P energy: -93.807 bonds (distance) P-C4' energy: -112.424 flat angles C4'-P-C4' energy: -98.539 flat angles P-C4'-P energy: -59.732 tors. eta vs tors. theta energy: -99.502 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: 9 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1056.783399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.783399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.783399 (E_RNA) where: Base-Base interactions energy: -646.326 where: short stacking energy: -298.308 Base-Backbone interact. energy: 0.692 local terms energy: -411.149265 where: bonds (distance) C4'-P energy: -78.661 bonds (distance) P-C4' energy: -110.687 flat angles C4'-P-C4' energy: -109.503 flat angles P-C4'-P energy: -60.765 tors. eta vs tors. theta energy: -51.533 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: 4 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -879.611240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.611240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.611240 (E_RNA) where: Base-Base interactions energy: -513.887 where: short stacking energy: -225.610 Base-Backbone interact. energy: 1.376 local terms energy: -367.099738 where: bonds (distance) C4'-P energy: -93.627 bonds (distance) P-C4' energy: -103.095 flat angles C4'-P-C4' energy: -104.491 flat angles P-C4'-P energy: -58.492 tors. eta vs tors. theta energy: -7.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2247.169442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.169442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.169442 (E_RNA) where: Base-Base interactions energy: -1557.679 where: short stacking energy: -654.133 Base-Backbone interact. energy: -2.850 local terms energy: -686.640361 where: bonds (distance) C4'-P energy: -127.700 bonds (distance) P-C4' energy: -116.298 flat angles C4'-P-C4' energy: -142.455 flat angles P-C4'-P energy: -101.027 tors. eta vs tors. theta energy: -199.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2188.693935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.693935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.693935 (E_RNA) where: Base-Base interactions energy: -1525.525 where: short stacking energy: -661.207 Base-Backbone interact. energy: -2.562 local terms energy: -660.606913 where: bonds (distance) C4'-P energy: -121.297 bonds (distance) P-C4' energy: -117.198 flat angles C4'-P-C4' energy: -143.614 flat angles P-C4'-P energy: -90.764 tors. eta vs tors. theta energy: -187.733 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: 5 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2097.293725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.293725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.293725 (E_RNA) where: Base-Base interactions energy: -1466.955 where: short stacking energy: -623.960 Base-Backbone interact. energy: -0.664 local terms energy: -629.674779 where: bonds (distance) C4'-P energy: -100.932 bonds (distance) P-C4' energy: -121.012 flat angles C4'-P-C4' energy: -132.807 flat angles P-C4'-P energy: -95.272 tors. eta vs tors. theta energy: -179.652 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: 3 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1991.839132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.839132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.839132 (E_RNA) where: Base-Base interactions energy: -1388.288 where: short stacking energy: -561.513 Base-Backbone interact. energy: -3.015 local terms energy: -600.536220 where: bonds (distance) C4'-P energy: -122.507 bonds (distance) P-C4' energy: -121.254 flat angles C4'-P-C4' energy: -116.673 flat angles P-C4'-P energy: -72.875 tors. eta vs tors. theta energy: -167.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1933.185175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.185175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.185175 (E_RNA) where: Base-Base interactions energy: -1318.007 where: short stacking energy: -574.842 Base-Backbone interact. energy: -3.460 local terms energy: -611.717682 where: bonds (distance) C4'-P energy: -115.877 bonds (distance) P-C4' energy: -105.253 flat angles C4'-P-C4' energy: -131.751 flat angles P-C4'-P energy: -92.869 tors. eta vs tors. theta energy: -165.968 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: 2 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1696.260465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.260465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.260465 (E_RNA) where: Base-Base interactions energy: -1171.836 where: short stacking energy: -491.029 Base-Backbone interact. energy: -4.462 local terms energy: -519.962625 where: bonds (distance) C4'-P energy: -109.165 bonds (distance) P-C4' energy: -101.044 flat angles C4'-P-C4' energy: -100.999 flat angles P-C4'-P energy: -75.874 tors. eta vs tors. theta energy: -132.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1666.098969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.098969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.098969 (E_RNA) where: Base-Base interactions energy: -1120.244 where: short stacking energy: -512.524 Base-Backbone interact. energy: 1.599 local terms energy: -547.454137 where: bonds (distance) C4'-P energy: -99.559 bonds (distance) P-C4' energy: -108.693 flat angles C4'-P-C4' energy: -114.338 flat angles P-C4'-P energy: -86.876 tors. eta vs tors. theta energy: -137.988 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: 8 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1284.774827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.774827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.774827 (E_RNA) where: Base-Base interactions energy: -851.947 where: short stacking energy: -385.631 Base-Backbone interact. energy: -2.187 local terms energy: -430.640544 where: bonds (distance) C4'-P energy: -100.778 bonds (distance) P-C4' energy: -86.224 flat angles C4'-P-C4' energy: -102.328 flat angles P-C4'-P energy: -65.206 tors. eta vs tors. theta energy: -76.105 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: 9 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1098.860017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.860017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.860017 (E_RNA) where: Base-Base interactions energy: -660.634 where: short stacking energy: -335.507 Base-Backbone interact. energy: -0.204 local terms energy: -438.022012 where: bonds (distance) C4'-P energy: -90.501 bonds (distance) P-C4' energy: -115.476 flat angles C4'-P-C4' energy: -113.507 flat angles P-C4'-P energy: -56.354 tors. eta vs tors. theta energy: -62.185 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: 10, replica: 4 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -913.437003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.437003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.437003 (E_RNA) where: Base-Base interactions energy: -528.411 where: short stacking energy: -266.215 Base-Backbone interact. energy: -0.306 local terms energy: -384.719605 where: bonds (distance) C4'-P energy: -89.383 bonds (distance) P-C4' energy: -98.690 flat angles C4'-P-C4' energy: -99.872 flat angles P-C4'-P energy: -72.056 tors. eta vs tors. theta energy: -24.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2267.186033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.186033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.186033 (E_RNA) where: Base-Base interactions energy: -1583.961 where: short stacking energy: -664.867 Base-Backbone interact. energy: -1.594 local terms energy: -681.631284 where: bonds (distance) C4'-P energy: -125.094 bonds (distance) P-C4' energy: -132.624 flat angles C4'-P-C4' energy: -131.276 flat angles P-C4'-P energy: -89.917 tors. eta vs tors. theta energy: -202.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2154.545991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.545991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.545991 (E_RNA) where: Base-Base interactions energy: -1494.163 where: short stacking energy: -637.863 Base-Backbone interact. energy: -2.567 local terms energy: -657.815994 where: bonds (distance) C4'-P energy: -113.445 bonds (distance) P-C4' energy: -118.980 flat angles C4'-P-C4' energy: -144.455 flat angles P-C4'-P energy: -92.565 tors. eta vs tors. theta energy: -188.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2056.073954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.073954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.073954 (E_RNA) where: Base-Base interactions energy: -1443.723 where: short stacking energy: -627.826 Base-Backbone interact. energy: -2.353 local terms energy: -609.998068 where: bonds (distance) C4'-P energy: -112.479 bonds (distance) P-C4' energy: -94.319 flat angles C4'-P-C4' energy: -142.137 flat angles P-C4'-P energy: -87.031 tors. eta vs tors. theta energy: -174.031 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: 3 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1975.842664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.842664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.842664 (E_RNA) where: Base-Base interactions energy: -1394.482 where: short stacking energy: -586.725 Base-Backbone interact. energy: -2.574 local terms energy: -578.786750 where: bonds (distance) C4'-P energy: -92.901 bonds (distance) P-C4' energy: -110.595 flat angles C4'-P-C4' energy: -128.535 flat angles P-C4'-P energy: -67.594 tors. eta vs tors. theta energy: -179.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1882.621730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.621730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.621730 (E_RNA) where: Base-Base interactions energy: -1310.019 where: short stacking energy: -563.805 Base-Backbone interact. energy: 2.172 local terms energy: -574.775014 where: bonds (distance) C4'-P energy: -96.648 bonds (distance) P-C4' energy: -104.169 flat angles C4'-P-C4' energy: -122.275 flat angles P-C4'-P energy: -90.717 tors. eta vs tors. theta energy: -160.966 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: 2 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1694.135274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.135274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.135274 (E_RNA) where: Base-Base interactions energy: -1129.028 where: short stacking energy: -523.441 Base-Backbone interact. energy: -2.311 local terms energy: -562.796146 where: bonds (distance) C4'-P energy: -120.186 bonds (distance) P-C4' energy: -95.654 flat angles C4'-P-C4' energy: -127.193 flat angles P-C4'-P energy: -76.153 tors. eta vs tors. theta energy: -143.610 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: 1 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1675.547327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.547327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.547327 (E_RNA) where: Base-Base interactions energy: -1131.960 where: short stacking energy: -499.825 Base-Backbone interact. energy: -2.556 local terms energy: -541.030567 where: bonds (distance) C4'-P energy: -96.882 bonds (distance) P-C4' energy: -116.861 flat angles C4'-P-C4' energy: -131.338 flat angles P-C4'-P energy: -56.883 tors. eta vs tors. theta energy: -139.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1231.590816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.590816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.590816 (E_RNA) where: Base-Base interactions energy: -788.230 where: short stacking energy: -374.060 Base-Backbone interact. energy: 7.485 local terms energy: -450.845306 where: bonds (distance) C4'-P energy: -99.108 bonds (distance) P-C4' energy: -105.363 flat angles C4'-P-C4' energy: -114.639 flat angles P-C4'-P energy: -60.399 tors. eta vs tors. theta energy: -71.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1061.008357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.008357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.008357 (E_RNA) where: Base-Base interactions energy: -634.404 where: short stacking energy: -314.657 Base-Backbone interact. energy: -0.802 local terms energy: -425.802124 where: bonds (distance) C4'-P energy: -115.575 bonds (distance) P-C4' energy: -115.969 flat angles C4'-P-C4' energy: -88.182 flat angles P-C4'-P energy: -54.448 tors. eta vs tors. theta energy: -51.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -921.652359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.652359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.652359 (E_RNA) where: Base-Base interactions energy: -539.118 where: short stacking energy: -243.170 Base-Backbone interact. energy: 2.840 local terms energy: -385.374990 where: bonds (distance) C4'-P energy: -106.933 bonds (distance) P-C4' energy: -99.354 flat angles C4'-P-C4' energy: -100.999 flat angles P-C4'-P energy: -50.960 tors. eta vs tors. theta energy: -27.128 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: 10 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2237.484612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.484612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.484612 (E_RNA) where: Base-Base interactions energy: -1564.800 where: short stacking energy: -653.846 Base-Backbone interact. energy: -2.650 local terms energy: -670.034390 where: bonds (distance) C4'-P energy: -117.862 bonds (distance) P-C4' energy: -126.038 flat angles C4'-P-C4' energy: -144.358 flat angles P-C4'-P energy: -86.221 tors. eta vs tors. theta energy: -195.555 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: 2, replica: 6 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2178.882432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.882432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.882432 (E_RNA) where: Base-Base interactions energy: -1525.914 where: short stacking energy: -665.591 Base-Backbone interact. energy: -2.196 local terms energy: -650.772456 where: bonds (distance) C4'-P energy: -107.994 bonds (distance) P-C4' energy: -114.377 flat angles C4'-P-C4' energy: -134.749 flat angles P-C4'-P energy: -103.865 tors. eta vs tors. theta energy: -189.788 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: 5 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2091.419824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.419824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.419824 (E_RNA) where: Base-Base interactions energy: -1455.369 where: short stacking energy: -627.038 Base-Backbone interact. energy: -4.080 local terms energy: -631.970789 where: bonds (distance) C4'-P energy: -106.861 bonds (distance) P-C4' energy: -114.881 flat angles C4'-P-C4' energy: -137.264 flat angles P-C4'-P energy: -93.700 tors. eta vs tors. theta energy: -179.265 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: 3 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1951.043178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.043178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.043178 (E_RNA) where: Base-Base interactions energy: -1338.801 where: short stacking energy: -566.521 Base-Backbone interact. energy: -6.710 local terms energy: -605.531612 where: bonds (distance) C4'-P energy: -107.194 bonds (distance) P-C4' energy: -111.744 flat angles C4'-P-C4' energy: -122.901 flat angles P-C4'-P energy: -96.648 tors. eta vs tors. theta energy: -167.044 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: 7 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1899.632846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.632846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.632846 (E_RNA) where: Base-Base interactions energy: -1318.823 where: short stacking energy: -557.193 Base-Backbone interact. energy: -1.748 local terms energy: -579.062197 where: bonds (distance) C4'-P energy: -104.027 bonds (distance) P-C4' energy: -110.999 flat angles C4'-P-C4' energy: -119.625 flat angles P-C4'-P energy: -84.085 tors. eta vs tors. theta energy: -160.326 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: 6, replica: 2 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1696.456556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.456556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.456556 (E_RNA) where: Base-Base interactions energy: -1144.980 where: short stacking energy: -499.291 Base-Backbone interact. energy: -0.122 local terms energy: -551.354742 where: bonds (distance) C4'-P energy: -98.803 bonds (distance) P-C4' energy: -117.733 flat angles C4'-P-C4' energy: -110.614 flat angles P-C4'-P energy: -82.049 tors. eta vs tors. theta energy: -142.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1573.464511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.464511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.464511 (E_RNA) where: Base-Base interactions energy: -1066.834 where: short stacking energy: -492.112 Base-Backbone interact. energy: -2.295 local terms energy: -504.335484 where: bonds (distance) C4'-P energy: -89.615 bonds (distance) P-C4' energy: -107.840 flat angles C4'-P-C4' energy: -101.539 flat angles P-C4'-P energy: -75.667 tors. eta vs tors. theta energy: -129.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1298.569717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.569717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.569717 (E_RNA) where: Base-Base interactions energy: -869.221 where: short stacking energy: -386.312 Base-Backbone interact. energy: -3.157 local terms energy: -426.190857 where: bonds (distance) C4'-P energy: -101.548 bonds (distance) P-C4' energy: -106.523 flat angles C4'-P-C4' energy: -96.935 flat angles P-C4'-P energy: -40.327 tors. eta vs tors. theta energy: -80.857 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: 9 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1092.921101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.921101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.921101 (E_RNA) where: Base-Base interactions energy: -675.306 where: short stacking energy: -327.974 Base-Backbone interact. energy: -3.021 local terms energy: -414.594427 where: bonds (distance) C4'-P energy: -89.382 bonds (distance) P-C4' energy: -109.989 flat angles C4'-P-C4' energy: -110.606 flat angles P-C4'-P energy: -54.652 tors. eta vs tors. theta energy: -49.965 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: 10, replica: 4 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -879.395061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.395061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.395061 (E_RNA) where: Base-Base interactions energy: -471.996 where: short stacking energy: -223.737 Base-Backbone interact. energy: 0.695 local terms energy: -408.093462 where: bonds (distance) C4'-P energy: -96.833 bonds (distance) P-C4' energy: -116.952 flat angles C4'-P-C4' energy: -106.736 flat angles P-C4'-P energy: -55.182 tors. eta vs tors. theta energy: -32.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2257.559846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.559846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.559846 (E_RNA) where: Base-Base interactions energy: -1583.823 where: short stacking energy: -670.319 Base-Backbone interact. energy: 0.775 local terms energy: -674.512402 where: bonds (distance) C4'-P energy: -110.675 bonds (distance) P-C4' energy: -126.997 flat angles C4'-P-C4' energy: -144.075 flat angles P-C4'-P energy: -95.869 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: 2, replica: 6 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2155.767853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.767853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.767853 (E_RNA) where: Base-Base interactions energy: -1496.446 where: short stacking energy: -630.757 Base-Backbone interact. energy: -2.241 local terms energy: -657.081535 where: bonds (distance) C4'-P energy: -123.663 bonds (distance) P-C4' energy: -119.601 flat angles C4'-P-C4' energy: -133.096 flat angles P-C4'-P energy: -98.638 tors. eta vs tors. theta energy: -182.084 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: 3, replica: 5 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2092.686967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.686967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.686967 (E_RNA) where: Base-Base interactions energy: -1484.426 where: short stacking energy: -623.947 Base-Backbone interact. energy: -3.346 local terms energy: -604.914348 where: bonds (distance) C4'-P energy: -107.038 bonds (distance) P-C4' energy: -94.056 flat angles C4'-P-C4' energy: -133.714 flat angles P-C4'-P energy: -89.781 tors. eta vs tors. theta energy: -180.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2014.383512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.383512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.383512 (E_RNA) where: Base-Base interactions energy: -1445.304 where: short stacking energy: -584.310 Base-Backbone interact. energy: -3.946 local terms energy: -565.133788 where: bonds (distance) C4'-P energy: -115.622 bonds (distance) P-C4' energy: -115.555 flat angles C4'-P-C4' energy: -114.537 flat angles P-C4'-P energy: -61.562 tors. eta vs tors. theta energy: -157.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1897.876333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.876333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.876333 (E_RNA) where: Base-Base interactions energy: -1316.531 where: short stacking energy: -556.991 Base-Backbone interact. energy: -0.928 local terms energy: -580.417149 where: bonds (distance) C4'-P energy: -111.463 bonds (distance) P-C4' energy: -101.317 flat angles C4'-P-C4' energy: -117.566 flat angles P-C4'-P energy: -88.665 tors. eta vs tors. theta energy: -161.406 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: 2 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1693.405580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.405580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.405580 (E_RNA) where: Base-Base interactions energy: -1203.622 where: short stacking energy: -549.816 Base-Backbone interact. energy: -3.502 local terms energy: -486.282265 where: bonds (distance) C4'-P energy: -83.445 bonds (distance) P-C4' energy: -90.589 flat angles C4'-P-C4' energy: -115.110 flat angles P-C4'-P energy: -52.745 tors. eta vs tors. theta energy: -144.393 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: 1 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1606.371263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.371263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.371263 (E_RNA) where: Base-Base interactions energy: -1077.882 where: short stacking energy: -494.497 Base-Backbone interact. energy: 1.354 local terms energy: -529.842712 where: bonds (distance) C4'-P energy: -86.290 bonds (distance) P-C4' energy: -109.276 flat angles C4'-P-C4' energy: -121.647 flat angles P-C4'-P energy: -74.470 tors. eta vs tors. theta energy: -138.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1352.266402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.266402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.266402 (E_RNA) where: Base-Base interactions energy: -905.349 where: short stacking energy: -381.887 Base-Backbone interact. energy: 1.535 local terms energy: -448.451851 where: bonds (distance) C4'-P energy: -114.036 bonds (distance) P-C4' energy: -82.884 flat angles C4'-P-C4' energy: -98.361 flat angles P-C4'-P energy: -59.939 tors. eta vs tors. theta energy: -93.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1071.477503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.477503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.477503 (E_RNA) where: Base-Base interactions energy: -641.104 where: short stacking energy: -320.724 Base-Backbone interact. energy: -3.654 local terms energy: -426.718994 where: bonds (distance) C4'-P energy: -85.119 bonds (distance) P-C4' energy: -116.564 flat angles C4'-P-C4' energy: -106.690 flat angles P-C4'-P energy: -65.213 tors. eta vs tors. theta energy: -53.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -870.918551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.918551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.918551 (E_RNA) where: Base-Base interactions energy: -514.577 where: short stacking energy: -238.330 Base-Backbone interact. energy: 2.463 local terms energy: -358.804355 where: bonds (distance) C4'-P energy: -92.315 bonds (distance) P-C4' energy: -86.918 flat angles C4'-P-C4' energy: -103.418 flat angles P-C4'-P energy: -65.929 tors. eta vs tors. theta energy: -10.224 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: 10 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2244.927517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.927517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.927517 (E_RNA) where: Base-Base interactions energy: -1589.191 where: short stacking energy: -668.136 Base-Backbone interact. energy: -2.846 local terms energy: -652.891080 where: bonds (distance) C4'-P energy: -105.591 bonds (distance) P-C4' energy: -126.446 flat angles C4'-P-C4' energy: -133.914 flat angles P-C4'-P energy: -88.860 tors. eta vs tors. theta energy: -198.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2175.793334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.793334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.793334 (E_RNA) where: Base-Base interactions energy: -1513.273 where: short stacking energy: -683.456 Base-Backbone interact. energy: -2.380 local terms energy: -660.139951 where: bonds (distance) C4'-P energy: -122.227 bonds (distance) P-C4' energy: -117.885 flat angles C4'-P-C4' energy: -135.485 flat angles P-C4'-P energy: -89.676 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: 5 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2077.969788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.969788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.969788 (E_RNA) where: Base-Base interactions energy: -1435.689 where: short stacking energy: -595.383 Base-Backbone interact. energy: -1.656 local terms energy: -640.624755 where: bonds (distance) C4'-P energy: -108.005 bonds (distance) P-C4' energy: -126.732 flat angles C4'-P-C4' energy: -133.756 flat angles P-C4'-P energy: -99.358 tors. eta vs tors. theta energy: -172.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1955.851509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.851509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.851509 (E_RNA) where: Base-Base interactions energy: -1353.911 where: short stacking energy: -564.344 Base-Backbone interact. energy: -3.032 local terms energy: -598.908892 where: bonds (distance) C4'-P energy: -117.653 bonds (distance) P-C4' energy: -118.339 flat angles C4'-P-C4' energy: -124.191 flat angles P-C4'-P energy: -83.899 tors. eta vs tors. theta energy: -154.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1898.914539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.914539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.914539 (E_RNA) where: Base-Base interactions energy: -1305.359 where: short stacking energy: -564.614 Base-Backbone interact. energy: -1.791 local terms energy: -591.763666 where: bonds (distance) C4'-P energy: -115.863 bonds (distance) P-C4' energy: -109.991 flat angles C4'-P-C4' energy: -127.958 flat angles P-C4'-P energy: -80.922 tors. eta vs tors. theta energy: -157.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1748.248536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.248536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.248536 (E_RNA) where: Base-Base interactions energy: -1202.682 where: short stacking energy: -529.903 Base-Backbone interact. energy: -2.724 local terms energy: -542.842268 where: bonds (distance) C4'-P energy: -95.182 bonds (distance) P-C4' energy: -96.560 flat angles C4'-P-C4' energy: -117.559 flat angles P-C4'-P energy: -88.329 tors. eta vs tors. theta energy: -145.212 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: 1 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1572.155215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.155215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.155215 (E_RNA) where: Base-Base interactions energy: -1051.641 where: short stacking energy: -480.801 Base-Backbone interact. energy: -0.502 local terms energy: -520.012931 where: bonds (distance) C4'-P energy: -102.183 bonds (distance) P-C4' energy: -97.604 flat angles C4'-P-C4' energy: -109.067 flat angles P-C4'-P energy: -79.067 tors. eta vs tors. theta energy: -132.092 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: 8, replica: 8 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1288.205392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.205392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.205392 (E_RNA) where: Base-Base interactions energy: -840.204 where: short stacking energy: -351.949 Base-Backbone interact. energy: -0.000 local terms energy: -448.001089 where: bonds (distance) C4'-P energy: -96.382 bonds (distance) P-C4' energy: -107.809 flat angles C4'-P-C4' energy: -107.877 flat angles P-C4'-P energy: -70.029 tors. eta vs tors. theta energy: -65.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1092.871001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.871001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.871001 (E_RNA) where: Base-Base interactions energy: -681.631 where: short stacking energy: -351.664 Base-Backbone interact. energy: 3.187 local terms energy: -414.426434 where: bonds (distance) C4'-P energy: -90.691 bonds (distance) P-C4' energy: -97.766 flat angles C4'-P-C4' energy: -91.165 flat angles P-C4'-P energy: -66.059 tors. eta vs tors. theta energy: -68.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -906.327084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.327084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.327084 (E_RNA) where: Base-Base interactions energy: -536.398 where: short stacking energy: -269.763 Base-Backbone interact. energy: -2.233 local terms energy: -367.695481 where: bonds (distance) C4'-P energy: -90.655 bonds (distance) P-C4' energy: -107.003 flat angles C4'-P-C4' energy: -95.243 flat angles P-C4'-P energy: -48.976 tors. eta vs tors. theta energy: -25.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2249.569683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.569683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.569683 (E_RNA) where: Base-Base interactions energy: -1579.890 where: short stacking energy: -647.543 Base-Backbone interact. energy: -0.587 local terms energy: -669.092538 where: bonds (distance) C4'-P energy: -115.516 bonds (distance) P-C4' energy: -121.516 flat angles C4'-P-C4' energy: -140.496 flat angles P-C4'-P energy: -90.073 tors. eta vs tors. theta energy: -201.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2181.440272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.440272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.440272 (E_RNA) where: Base-Base interactions energy: -1532.648 where: short stacking energy: -656.895 Base-Backbone interact. energy: -2.376 local terms energy: -646.416248 where: bonds (distance) C4'-P energy: -107.587 bonds (distance) P-C4' energy: -132.270 flat angles C4'-P-C4' energy: -134.076 flat angles P-C4'-P energy: -96.957 tors. eta vs tors. theta energy: -175.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2101.343898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.343898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.343898 (E_RNA) where: Base-Base interactions energy: -1474.939 where: short stacking energy: -609.147 Base-Backbone interact. energy: -2.535 local terms energy: -623.869276 where: bonds (distance) C4'-P energy: -121.527 bonds (distance) P-C4' energy: -107.697 flat angles C4'-P-C4' energy: -139.971 flat angles P-C4'-P energy: -84.867 tors. eta vs tors. theta energy: -169.807 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: 3 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2029.900686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.900686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.900686 (E_RNA) where: Base-Base interactions energy: -1439.666 where: short stacking energy: -596.746 Base-Backbone interact. energy: -0.914 local terms energy: -589.320359 where: bonds (distance) C4'-P energy: -115.588 bonds (distance) P-C4' energy: -107.149 flat angles C4'-P-C4' energy: -131.145 flat angles P-C4'-P energy: -74.951 tors. eta vs tors. theta energy: -160.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1903.992704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.992704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.992704 (E_RNA) where: Base-Base interactions energy: -1311.161 where: short stacking energy: -573.107 Base-Backbone interact. energy: -3.946 local terms energy: -588.886252 where: bonds (distance) C4'-P energy: -104.980 bonds (distance) P-C4' energy: -118.132 flat angles C4'-P-C4' energy: -124.147 flat angles P-C4'-P energy: -86.398 tors. eta vs tors. theta energy: -155.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1734.970933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.970933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.970933 (E_RNA) where: Base-Base interactions energy: -1178.561 where: short stacking energy: -543.648 Base-Backbone interact. energy: 6.599 local terms energy: -563.008866 where: bonds (distance) C4'-P energy: -106.816 bonds (distance) P-C4' energy: -106.586 flat angles C4'-P-C4' energy: -124.969 flat angles P-C4'-P energy: -73.502 tors. eta vs tors. theta energy: -151.136 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: 7, replica: 1 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1557.516815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.516815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.516815 (E_RNA) where: Base-Base interactions energy: -1067.442 where: short stacking energy: -480.816 Base-Backbone interact. energy: 0.052 local terms energy: -490.126893 where: bonds (distance) C4'-P energy: -97.721 bonds (distance) P-C4' energy: -106.289 flat angles C4'-P-C4' energy: -118.782 flat angles P-C4'-P energy: -62.011 tors. eta vs tors. theta energy: -105.324 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: 8 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1287.441917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.441917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.441917 (E_RNA) where: Base-Base interactions energy: -818.295 where: short stacking energy: -367.867 Base-Backbone interact. energy: 1.315 local terms energy: -470.461881 where: bonds (distance) C4'-P energy: -112.619 bonds (distance) P-C4' energy: -118.350 flat angles C4'-P-C4' energy: -103.695 flat angles P-C4'-P energy: -59.310 tors. eta vs tors. theta energy: -76.488 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: 9, replica: 9 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1029.633752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.633752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.633752 (E_RNA) where: Base-Base interactions energy: -599.385 where: short stacking energy: -300.259 Base-Backbone interact. energy: -3.162 local terms energy: -427.086453 where: bonds (distance) C4'-P energy: -103.776 bonds (distance) P-C4' energy: -96.983 flat angles C4'-P-C4' energy: -104.818 flat angles P-C4'-P energy: -68.124 tors. eta vs tors. theta energy: -53.385 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: 4 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -888.373314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.373314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.373314 (E_RNA) where: Base-Base interactions energy: -510.496 where: short stacking energy: -241.644 Base-Backbone interact. energy: -2.014 local terms energy: -375.863365 where: bonds (distance) C4'-P energy: -98.988 bonds (distance) P-C4' energy: -97.207 flat angles C4'-P-C4' energy: -85.559 flat angles P-C4'-P energy: -59.655 tors. eta vs tors. theta energy: -34.455 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: 10 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2241.907751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.907751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.907751 (E_RNA) where: Base-Base interactions energy: -1564.833 where: short stacking energy: -673.969 Base-Backbone interact. energy: -3.681 local terms energy: -673.393948 where: bonds (distance) C4'-P energy: -133.073 bonds (distance) P-C4' energy: -113.246 flat angles C4'-P-C4' energy: -137.063 flat angles P-C4'-P energy: -100.753 tors. eta vs tors. theta energy: -189.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2163.694686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.694686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.694686 (E_RNA) where: Base-Base interactions energy: -1512.548 where: short stacking energy: -647.442 Base-Backbone interact. energy: -1.892 local terms energy: -649.253927 where: bonds (distance) C4'-P energy: -106.012 bonds (distance) P-C4' energy: -122.118 flat angles C4'-P-C4' energy: -139.641 flat angles P-C4'-P energy: -90.784 tors. eta vs tors. theta energy: -190.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2101.892714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.892714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.892714 (E_RNA) where: Base-Base interactions energy: -1465.154 where: short stacking energy: -598.713 Base-Backbone interact. energy: -4.171 local terms energy: -632.568241 where: bonds (distance) C4'-P energy: -117.398 bonds (distance) P-C4' energy: -116.751 flat angles C4'-P-C4' energy: -136.760 flat angles P-C4'-P energy: -91.068 tors. eta vs tors. theta energy: -170.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2031.331429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.331429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.331429 (E_RNA) where: Base-Base interactions energy: -1396.656 where: short stacking energy: -579.675 Base-Backbone interact. energy: -3.236 local terms energy: -631.439546 where: bonds (distance) C4'-P energy: -133.869 bonds (distance) P-C4' energy: -97.866 flat angles C4'-P-C4' energy: -136.452 flat angles P-C4'-P energy: -91.636 tors. eta vs tors. theta energy: -171.616 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: 7 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1957.868377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.868377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.868377 (E_RNA) where: Base-Base interactions energy: -1351.328 where: short stacking energy: -582.220 Base-Backbone interact. energy: 0.296 local terms energy: -606.836830 where: bonds (distance) C4'-P energy: -119.391 bonds (distance) P-C4' energy: -109.273 flat angles C4'-P-C4' energy: -141.024 flat angles P-C4'-P energy: -83.457 tors. eta vs tors. theta energy: -153.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1766.630177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.630177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.630177 (E_RNA) where: Base-Base interactions energy: -1209.685 where: short stacking energy: -556.458 Base-Backbone interact. energy: -2.034 local terms energy: -554.911903 where: bonds (distance) C4'-P energy: -93.415 bonds (distance) P-C4' energy: -102.057 flat angles C4'-P-C4' energy: -122.623 flat angles P-C4'-P energy: -74.311 tors. eta vs tors. theta energy: -162.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1541.015326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.015326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.015326 (E_RNA) where: Base-Base interactions energy: -1036.653 where: short stacking energy: -461.539 Base-Backbone interact. energy: -1.002 local terms energy: -503.359575 where: bonds (distance) C4'-P energy: -107.557 bonds (distance) P-C4' energy: -110.468 flat angles C4'-P-C4' energy: -114.105 flat angles P-C4'-P energy: -57.475 tors. eta vs tors. theta energy: -113.754 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: 8 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1331.839512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.839512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.839512 (E_RNA) where: Base-Base interactions energy: -881.860 where: short stacking energy: -377.904 Base-Backbone interact. energy: -1.710 local terms energy: -448.269702 where: bonds (distance) C4'-P energy: -105.355 bonds (distance) P-C4' energy: -88.978 flat angles C4'-P-C4' energy: -97.096 flat angles P-C4'-P energy: -55.393 tors. eta vs tors. theta energy: -101.448 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: 9, replica: 9 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1079.919796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.919796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.919796 (E_RNA) where: Base-Base interactions energy: -677.598 where: short stacking energy: -339.942 Base-Backbone interact. energy: 2.974 local terms energy: -405.295150 where: bonds (distance) C4'-P energy: -96.018 bonds (distance) P-C4' energy: -101.664 flat angles C4'-P-C4' energy: -94.235 flat angles P-C4'-P energy: -54.506 tors. eta vs tors. theta energy: -58.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -843.042868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.042868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.042868 (E_RNA) where: Base-Base interactions energy: -501.598 where: short stacking energy: -242.784 Base-Backbone interact. energy: 3.542 local terms energy: -344.986158 where: bonds (distance) C4'-P energy: -92.124 bonds (distance) P-C4' energy: -106.158 flat angles C4'-P-C4' energy: -88.408 flat angles P-C4'-P energy: -40.637 tors. eta vs tors. theta energy: -17.658 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: 431 Temperature: 0.900000 Total energy: -2249.655687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.655687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.655687 (E_RNA) where: Base-Base interactions energy: -1575.210 where: short stacking energy: -665.817 Base-Backbone interact. energy: -1.833 local terms energy: -672.612136 where: bonds (distance) C4'-P energy: -116.551 bonds (distance) P-C4' energy: -117.354 flat angles C4'-P-C4' energy: -134.128 flat angles P-C4'-P energy: -104.272 tors. eta vs tors. theta energy: -200.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2171.492808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.492808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.492808 (E_RNA) where: Base-Base interactions energy: -1520.070 where: short stacking energy: -652.692 Base-Backbone interact. energy: -0.818 local terms energy: -650.604660 where: bonds (distance) C4'-P energy: -128.809 bonds (distance) P-C4' energy: -104.938 flat angles C4'-P-C4' energy: -137.382 flat angles P-C4'-P energy: -90.672 tors. eta vs tors. theta energy: -188.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2062.904754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.904754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.904754 (E_RNA) where: Base-Base interactions energy: -1460.568 where: short stacking energy: -615.234 Base-Backbone interact. energy: -3.710 local terms energy: -598.626399 where: bonds (distance) C4'-P energy: -100.714 bonds (distance) P-C4' energy: -108.996 flat angles C4'-P-C4' energy: -131.976 flat angles P-C4'-P energy: -87.779 tors. eta vs tors. theta energy: -169.162 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: 7 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1973.675984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.675984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.675984 (E_RNA) where: Base-Base interactions energy: -1381.275 where: short stacking energy: -590.578 Base-Backbone interact. energy: -0.002 local terms energy: -592.399600 where: bonds (distance) C4'-P energy: -116.088 bonds (distance) P-C4' energy: -89.724 flat angles C4'-P-C4' energy: -131.733 flat angles P-C4'-P energy: -79.499 tors. eta vs tors. theta energy: -175.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1962.299496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.299496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.299496 (E_RNA) where: Base-Base interactions energy: -1370.727 where: short stacking energy: -568.010 Base-Backbone interact. energy: -0.604 local terms energy: -590.968490 where: bonds (distance) C4'-P energy: -97.253 bonds (distance) P-C4' energy: -109.681 flat angles C4'-P-C4' energy: -134.205 flat angles P-C4'-P energy: -85.621 tors. eta vs tors. theta energy: -164.209 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: 2 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1763.473930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.473930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.473930 (E_RNA) where: Base-Base interactions energy: -1201.793 where: short stacking energy: -520.369 Base-Backbone interact. energy: -2.268 local terms energy: -559.412838 where: bonds (distance) C4'-P energy: -113.441 bonds (distance) P-C4' energy: -114.535 flat angles C4'-P-C4' energy: -111.542 flat angles P-C4'-P energy: -73.342 tors. eta vs tors. theta energy: -146.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1632.211991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.211991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.211991 (E_RNA) where: Base-Base interactions energy: -1111.717 where: short stacking energy: -487.238 Base-Backbone interact. energy: -2.181 local terms energy: -518.313707 where: bonds (distance) C4'-P energy: -96.976 bonds (distance) P-C4' energy: -104.527 flat angles C4'-P-C4' energy: -118.472 flat angles P-C4'-P energy: -72.959 tors. eta vs tors. theta energy: -125.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1335.596638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.596638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.596638 (E_RNA) where: Base-Base interactions energy: -885.260 where: short stacking energy: -397.562 Base-Backbone interact. energy: -0.471 local terms energy: -449.865423 where: bonds (distance) C4'-P energy: -84.055 bonds (distance) P-C4' energy: -101.074 flat angles C4'-P-C4' energy: -121.341 flat angles P-C4'-P energy: -65.912 tors. eta vs tors. theta energy: -77.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1045.188600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.188600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.188600 (E_RNA) where: Base-Base interactions energy: -633.981 where: short stacking energy: -329.564 Base-Backbone interact. energy: -2.415 local terms energy: -408.792499 where: bonds (distance) C4'-P energy: -88.793 bonds (distance) P-C4' energy: -115.786 flat angles C4'-P-C4' energy: -91.499 flat angles P-C4'-P energy: -66.830 tors. eta vs tors. theta energy: -45.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -889.605844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.605844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.605844 (E_RNA) where: Base-Base interactions energy: -499.027 where: short stacking energy: -256.452 Base-Backbone interact. energy: 2.823 local terms energy: -393.401807 where: bonds (distance) C4'-P energy: -91.712 bonds (distance) P-C4' energy: -111.213 flat angles C4'-P-C4' energy: -87.426 flat angles P-C4'-P energy: -70.500 tors. eta vs tors. theta energy: -32.551 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: 1, replica: 10 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2253.611032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.611032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.611032 (E_RNA) where: Base-Base interactions energy: -1575.029 where: short stacking energy: -654.985 Base-Backbone interact. energy: -1.185 local terms energy: -677.397089 where: bonds (distance) C4'-P energy: -121.879 bonds (distance) P-C4' energy: -121.810 flat angles C4'-P-C4' energy: -137.101 flat angles P-C4'-P energy: -99.471 tors. eta vs tors. theta energy: -197.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2170.025099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.025099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.025099 (E_RNA) where: Base-Base interactions energy: -1501.666 where: short stacking energy: -650.949 Base-Backbone interact. energy: -4.113 local terms energy: -664.246321 where: bonds (distance) C4'-P energy: -122.422 bonds (distance) P-C4' energy: -119.691 flat angles C4'-P-C4' energy: -131.345 flat angles P-C4'-P energy: -97.049 tors. eta vs tors. theta energy: -193.739 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: 5 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2067.816774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.816774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.816774 (E_RNA) where: Base-Base interactions energy: -1430.862 where: short stacking energy: -617.610 Base-Backbone interact. energy: 1.340 local terms energy: -638.295280 where: bonds (distance) C4'-P energy: -116.661 bonds (distance) P-C4' energy: -123.764 flat angles C4'-P-C4' energy: -136.096 flat angles P-C4'-P energy: -83.510 tors. eta vs tors. theta energy: -178.265 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: 7 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1962.302337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.302337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.302337 (E_RNA) where: Base-Base interactions energy: -1354.055 where: short stacking energy: -603.262 Base-Backbone interact. energy: -2.673 local terms energy: -605.574639 where: bonds (distance) C4'-P energy: -93.192 bonds (distance) P-C4' energy: -121.095 flat angles C4'-P-C4' energy: -134.602 flat angles P-C4'-P energy: -90.519 tors. eta vs tors. theta energy: -166.167 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: 3 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1927.304670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.304670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.304670 (E_RNA) where: Base-Base interactions energy: -1403.276 where: short stacking energy: -564.530 Base-Backbone interact. energy: 0.049 local terms energy: -524.078256 where: bonds (distance) C4'-P energy: -99.743 bonds (distance) P-C4' energy: -91.168 flat angles C4'-P-C4' energy: -113.873 flat angles P-C4'-P energy: -62.053 tors. eta vs tors. theta energy: -157.241 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: 6, replica: 2 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1753.841893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.841893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.841893 (E_RNA) where: Base-Base interactions energy: -1175.746 where: short stacking energy: -526.752 Base-Backbone interact. energy: -1.996 local terms energy: -576.100260 where: bonds (distance) C4'-P energy: -107.587 bonds (distance) P-C4' energy: -116.401 flat angles C4'-P-C4' energy: -129.003 flat angles P-C4'-P energy: -68.321 tors. eta vs tors. theta energy: -154.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1657.668832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.668832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.668832 (E_RNA) where: Base-Base interactions energy: -1082.216 where: short stacking energy: -472.804 Base-Backbone interact. energy: -0.323 local terms energy: -575.130061 where: bonds (distance) C4'-P energy: -113.571 bonds (distance) P-C4' energy: -119.686 flat angles C4'-P-C4' energy: -119.377 flat angles P-C4'-P energy: -89.902 tors. eta vs tors. theta energy: -132.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1321.782134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.782134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.782134 (E_RNA) where: Base-Base interactions energy: -861.405 where: short stacking energy: -389.270 Base-Backbone interact. energy: -1.377 local terms energy: -459.000682 where: bonds (distance) C4'-P energy: -107.306 bonds (distance) P-C4' energy: -109.370 flat angles C4'-P-C4' energy: -100.376 flat angles P-C4'-P energy: -62.826 tors. eta vs tors. theta energy: -79.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1099.208159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.208159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.208159 (E_RNA) where: Base-Base interactions energy: -686.992 where: short stacking energy: -344.747 Base-Backbone interact. energy: 3.312 local terms energy: -415.528284 where: bonds (distance) C4'-P energy: -72.639 bonds (distance) P-C4' energy: -96.533 flat angles C4'-P-C4' energy: -109.145 flat angles P-C4'-P energy: -69.217 tors. eta vs tors. theta energy: -67.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -937.067043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.067043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.067043 (E_RNA) where: Base-Base interactions energy: -568.863 where: short stacking energy: -266.956 Base-Backbone interact. energy: 3.438 local terms energy: -371.642007 where: bonds (distance) C4'-P energy: -92.113 bonds (distance) P-C4' energy: -93.836 flat angles C4'-P-C4' energy: -102.732 flat angles P-C4'-P energy: -54.602 tors. eta vs tors. theta energy: -28.359 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: 10 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2251.457966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.457966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.457966 (E_RNA) where: Base-Base interactions energy: -1580.938 where: short stacking energy: -654.206 Base-Backbone interact. energy: -2.101 local terms energy: -668.418731 where: bonds (distance) C4'-P energy: -129.966 bonds (distance) P-C4' energy: -120.010 flat angles C4'-P-C4' energy: -136.447 flat angles P-C4'-P energy: -85.106 tors. eta vs tors. theta energy: -196.889 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: 5 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2115.898774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.898774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.898774 (E_RNA) where: Base-Base interactions energy: -1487.766 where: short stacking energy: -624.894 Base-Backbone interact. energy: -3.659 local terms energy: -624.473655 where: bonds (distance) C4'-P energy: -107.115 bonds (distance) P-C4' energy: -120.953 flat angles C4'-P-C4' energy: -131.875 flat angles P-C4'-P energy: -85.545 tors. eta vs tors. theta energy: -178.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2113.216447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.216447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.216447 (E_RNA) where: Base-Base interactions energy: -1478.957 where: short stacking energy: -635.727 Base-Backbone interact. energy: 0.306 local terms energy: -634.565526 where: bonds (distance) C4'-P energy: -107.025 bonds (distance) P-C4' energy: -124.203 flat angles C4'-P-C4' energy: -127.368 flat angles P-C4'-P energy: -82.559 tors. eta vs tors. theta energy: -193.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1972.742707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.742707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.742707 (E_RNA) where: Base-Base interactions energy: -1346.753 where: short stacking energy: -600.138 Base-Backbone interact. energy: -2.486 local terms energy: -623.503590 where: bonds (distance) C4'-P energy: -111.235 bonds (distance) P-C4' energy: -113.740 flat angles C4'-P-C4' energy: -130.157 flat angles P-C4'-P energy: -98.756 tors. eta vs tors. theta energy: -169.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1918.903896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.903896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.903896 (E_RNA) where: Base-Base interactions energy: -1327.797 where: short stacking energy: -566.947 Base-Backbone interact. energy: -1.601 local terms energy: -589.506463 where: bonds (distance) C4'-P energy: -109.061 bonds (distance) P-C4' energy: -106.372 flat angles C4'-P-C4' energy: -123.711 flat angles P-C4'-P energy: -79.861 tors. eta vs tors. theta energy: -170.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1745.766743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.766743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.766743 (E_RNA) where: Base-Base interactions energy: -1199.066 where: short stacking energy: -535.331 Base-Backbone interact. energy: 2.027 local terms energy: -548.727938 where: bonds (distance) C4'-P energy: -106.083 bonds (distance) P-C4' energy: -93.475 flat angles C4'-P-C4' energy: -119.047 flat angles P-C4'-P energy: -79.234 tors. eta vs tors. theta energy: -150.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1683.313698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.313698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.313698 (E_RNA) where: Base-Base interactions energy: -1142.808 where: short stacking energy: -505.535 Base-Backbone interact. energy: -2.523 local terms energy: -537.982930 where: bonds (distance) C4'-P energy: -98.180 bonds (distance) P-C4' energy: -108.087 flat angles C4'-P-C4' energy: -120.079 flat angles P-C4'-P energy: -77.822 tors. eta vs tors. theta energy: -133.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1257.577522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.577522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.577522 (E_RNA) where: Base-Base interactions energy: -813.400 where: short stacking energy: -377.884 Base-Backbone interact. energy: 0.579 local terms energy: -444.755949 where: bonds (distance) C4'-P energy: -113.351 bonds (distance) P-C4' energy: -107.171 flat angles C4'-P-C4' energy: -97.486 flat angles P-C4'-P energy: -51.455 tors. eta vs tors. theta energy: -75.293 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: 433 Temperature: 1.300000 Total energy: -1118.005131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.005131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.005131 (E_RNA) where: Base-Base interactions energy: -672.129 where: short stacking energy: -318.609 Base-Backbone interact. energy: 1.439 local terms energy: -447.315129 where: bonds (distance) C4'-P energy: -96.935 bonds (distance) P-C4' energy: -126.319 flat angles C4'-P-C4' energy: -98.243 flat angles P-C4'-P energy: -64.849 tors. eta vs tors. theta energy: -60.969 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: 4 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -889.883876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.883876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.883876 (E_RNA) where: Base-Base interactions energy: -544.438 where: short stacking energy: -252.344 Base-Backbone interact. energy: 1.397 local terms energy: -346.843487 where: bonds (distance) C4'-P energy: -93.347 bonds (distance) P-C4' energy: -91.630 flat angles C4'-P-C4' energy: -83.881 flat angles P-C4'-P energy: -56.326 tors. eta vs tors. theta energy: -21.660 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: 10 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2294.998514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.998514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.998514 (E_RNA) where: Base-Base interactions energy: -1605.607 where: short stacking energy: -665.932 Base-Backbone interact. energy: -0.697 local terms energy: -688.693795 where: bonds (distance) C4'-P energy: -122.658 bonds (distance) P-C4' energy: -125.656 flat angles C4'-P-C4' energy: -152.175 flat angles P-C4'-P energy: -87.057 tors. eta vs tors. theta energy: -201.148 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: 5 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2125.449352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.449352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.449352 (E_RNA) where: Base-Base interactions energy: -1499.746 where: short stacking energy: -633.499 Base-Backbone interact. energy: -4.663 local terms energy: -621.040013 where: bonds (distance) C4'-P energy: -113.145 bonds (distance) P-C4' energy: -113.478 flat angles C4'-P-C4' energy: -140.161 flat angles P-C4'-P energy: -72.922 tors. eta vs tors. theta energy: -181.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2133.772800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.772800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.772800 (E_RNA) where: Base-Base interactions energy: -1476.392 where: short stacking energy: -640.666 Base-Backbone interact. energy: -3.891 local terms energy: -653.489323 where: bonds (distance) C4'-P energy: -132.997 bonds (distance) P-C4' energy: -107.960 flat angles C4'-P-C4' energy: -134.569 flat angles P-C4'-P energy: -102.369 tors. eta vs tors. theta energy: -175.594 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: 7 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2007.664032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.664032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.664032 (E_RNA) where: Base-Base interactions energy: -1396.083 where: short stacking energy: -599.992 Base-Backbone interact. energy: -3.000 local terms energy: -608.580770 where: bonds (distance) C4'-P energy: -95.104 bonds (distance) P-C4' energy: -112.924 flat angles C4'-P-C4' energy: -139.184 flat angles P-C4'-P energy: -90.322 tors. eta vs tors. theta energy: -171.047 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: 3 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1893.906260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.906260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.906260 (E_RNA) where: Base-Base interactions energy: -1315.943 where: short stacking energy: -559.145 Base-Backbone interact. energy: -5.273 local terms energy: -572.690215 where: bonds (distance) C4'-P energy: -115.376 bonds (distance) P-C4' energy: -96.646 flat angles C4'-P-C4' energy: -129.885 flat angles P-C4'-P energy: -73.442 tors. eta vs tors. theta energy: -157.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1757.072857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.072857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.072857 (E_RNA) where: Base-Base interactions energy: -1196.937 where: short stacking energy: -545.684 Base-Backbone interact. energy: -1.195 local terms energy: -558.940799 where: bonds (distance) C4'-P energy: -98.700 bonds (distance) P-C4' energy: -105.137 flat angles C4'-P-C4' energy: -125.942 flat angles P-C4'-P energy: -77.278 tors. eta vs tors. theta energy: -151.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1647.521555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.521555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.521555 (E_RNA) where: Base-Base interactions energy: -1112.532 where: short stacking energy: -481.242 Base-Backbone interact. energy: 2.730 local terms energy: -537.719460 where: bonds (distance) C4'-P energy: -94.997 bonds (distance) P-C4' energy: -123.686 flat angles C4'-P-C4' energy: -116.726 flat angles P-C4'-P energy: -67.730 tors. eta vs tors. theta energy: -134.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1251.525075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.525075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.525075 (E_RNA) where: Base-Base interactions energy: -806.757 where: short stacking energy: -371.194 Base-Backbone interact. energy: -2.166 local terms energy: -442.602123 where: bonds (distance) C4'-P energy: -99.426 bonds (distance) P-C4' energy: -111.326 flat angles C4'-P-C4' energy: -100.405 flat angles P-C4'-P energy: -61.847 tors. eta vs tors. theta energy: -69.599 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: 9, replica: 9 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1081.736284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.736284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.736284 (E_RNA) where: Base-Base interactions energy: -648.950 where: short stacking energy: -302.988 Base-Backbone interact. energy: -1.018 local terms energy: -431.767602 where: bonds (distance) C4'-P energy: -95.859 bonds (distance) P-C4' energy: -107.723 flat angles C4'-P-C4' energy: -99.233 flat angles P-C4'-P energy: -71.222 tors. eta vs tors. theta energy: -57.731 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: 4 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -859.739331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.739331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.739331 (E_RNA) where: Base-Base interactions energy: -532.650 where: short stacking energy: -267.993 Base-Backbone interact. energy: 0.844 local terms energy: -327.932399 where: bonds (distance) C4'-P energy: -95.593 bonds (distance) P-C4' energy: -77.712 flat angles C4'-P-C4' energy: -71.587 flat angles P-C4'-P energy: -54.082 tors. eta vs tors. theta energy: -28.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2277.130952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.130952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.130952 (E_RNA) where: Base-Base interactions energy: -1590.331 where: short stacking energy: -638.565 Base-Backbone interact. energy: 0.124 local terms energy: -686.924039 where: bonds (distance) C4'-P energy: -136.233 bonds (distance) P-C4' energy: -126.244 flat angles C4'-P-C4' energy: -129.004 flat angles P-C4'-P energy: -99.773 tors. eta vs tors. theta energy: -195.669 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: 5 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2122.235042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.235042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.235042 (E_RNA) where: Base-Base interactions energy: -1469.529 where: short stacking energy: -623.891 Base-Backbone interact. energy: -2.761 local terms energy: -649.944370 where: bonds (distance) C4'-P energy: -113.216 bonds (distance) P-C4' energy: -125.713 flat angles C4'-P-C4' energy: -138.470 flat angles P-C4'-P energy: -93.926 tors. eta vs tors. theta energy: -178.618 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: 6 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2129.136375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.136375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.136375 (E_RNA) where: Base-Base interactions energy: -1515.050 where: short stacking energy: -642.616 Base-Backbone interact. energy: -3.426 local terms energy: -610.661220 where: bonds (distance) C4'-P energy: -102.391 bonds (distance) P-C4' energy: -104.802 flat angles C4'-P-C4' energy: -138.839 flat angles P-C4'-P energy: -84.190 tors. eta vs tors. theta energy: -180.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1999.090853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.090853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.090853 (E_RNA) where: Base-Base interactions energy: -1395.079 where: short stacking energy: -581.970 Base-Backbone interact. energy: -1.101 local terms energy: -602.911435 where: bonds (distance) C4'-P energy: -119.435 bonds (distance) P-C4' energy: -125.717 flat angles C4'-P-C4' energy: -124.028 flat angles P-C4'-P energy: -73.925 tors. eta vs tors. theta energy: -159.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1903.527926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.527926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.527926 (E_RNA) where: Base-Base interactions energy: -1332.674 where: short stacking energy: -552.846 Base-Backbone interact. energy: -1.458 local terms energy: -569.395171 where: bonds (distance) C4'-P energy: -110.674 bonds (distance) P-C4' energy: -109.382 flat angles C4'-P-C4' energy: -116.695 flat angles P-C4'-P energy: -69.915 tors. eta vs tors. theta energy: -162.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1707.030939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.030939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.030939 (E_RNA) where: Base-Base interactions energy: -1154.670 where: short stacking energy: -511.387 Base-Backbone interact. energy: 0.361 local terms energy: -552.722263 where: bonds (distance) C4'-P energy: -105.426 bonds (distance) P-C4' energy: -124.660 flat angles C4'-P-C4' energy: -112.940 flat angles P-C4'-P energy: -77.502 tors. eta vs tors. theta energy: -132.194 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: 1 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1634.060111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.060111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.060111 (E_RNA) where: Base-Base interactions energy: -1113.054 where: short stacking energy: -499.824 Base-Backbone interact. energy: 0.678 local terms energy: -521.684584 where: bonds (distance) C4'-P energy: -109.209 bonds (distance) P-C4' energy: -103.416 flat angles C4'-P-C4' energy: -112.444 flat angles P-C4'-P energy: -61.549 tors. eta vs tors. theta energy: -135.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1272.630654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.630654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.630654 (E_RNA) where: Base-Base interactions energy: -825.842 where: short stacking energy: -390.063 Base-Backbone interact. energy: -1.612 local terms energy: -445.176545 where: bonds (distance) C4'-P energy: -82.350 bonds (distance) P-C4' energy: -97.794 flat angles C4'-P-C4' energy: -105.775 flat angles P-C4'-P energy: -83.614 tors. eta vs tors. theta energy: -75.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1147.420220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.420220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.420220 (E_RNA) where: Base-Base interactions energy: -734.399 where: short stacking energy: -328.330 Base-Backbone interact. energy: -0.872 local terms energy: -412.148896 where: bonds (distance) C4'-P energy: -91.041 bonds (distance) P-C4' energy: -97.813 flat angles C4'-P-C4' energy: -88.736 flat angles P-C4'-P energy: -66.546 tors. eta vs tors. theta energy: -68.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -870.309390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.309390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.309390 (E_RNA) where: Base-Base interactions energy: -537.280 where: short stacking energy: -277.358 Base-Backbone interact. energy: -0.726 local terms energy: -332.303779 where: bonds (distance) C4'-P energy: -76.444 bonds (distance) P-C4' energy: -84.030 flat angles C4'-P-C4' energy: -100.709 flat angles P-C4'-P energy: -56.302 tors. eta vs tors. theta energy: -14.819 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: 1, replica: 10 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2266.812275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.812275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.812275 (E_RNA) where: Base-Base interactions energy: -1605.568 where: short stacking energy: -667.485 Base-Backbone interact. energy: -2.391 local terms energy: -658.852855 where: bonds (distance) C4'-P energy: -116.378 bonds (distance) P-C4' energy: -121.873 flat angles C4'-P-C4' energy: -137.403 flat angles P-C4'-P energy: -81.152 tors. eta vs tors. theta energy: -202.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2125.414264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.414264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.414264 (E_RNA) where: Base-Base interactions energy: -1477.233 where: short stacking energy: -598.769 Base-Backbone interact. energy: -1.860 local terms energy: -646.320932 where: bonds (distance) C4'-P energy: -117.548 bonds (distance) P-C4' energy: -125.007 flat angles C4'-P-C4' energy: -142.492 flat angles P-C4'-P energy: -89.322 tors. eta vs tors. theta energy: -171.951 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: 6 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2129.445056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.445056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.445056 (E_RNA) where: Base-Base interactions energy: -1493.844 where: short stacking energy: -644.338 Base-Backbone interact. energy: -3.661 local terms energy: -631.939537 where: bonds (distance) C4'-P energy: -103.910 bonds (distance) P-C4' energy: -117.315 flat angles C4'-P-C4' energy: -135.382 flat angles P-C4'-P energy: -94.949 tors. eta vs tors. theta energy: -180.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2012.044275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.044275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.044275 (E_RNA) where: Base-Base interactions energy: -1409.490 where: short stacking energy: -592.518 Base-Backbone interact. energy: -1.795 local terms energy: -600.759310 where: bonds (distance) C4'-P energy: -122.677 bonds (distance) P-C4' energy: -105.290 flat angles C4'-P-C4' energy: -137.754 flat angles P-C4'-P energy: -76.265 tors. eta vs tors. theta energy: -158.773 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: 5, replica: 7 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1910.772599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.772599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.772599 (E_RNA) where: Base-Base interactions energy: -1335.708 where: short stacking energy: -566.276 Base-Backbone interact. energy: -2.725 local terms energy: -572.339448 where: bonds (distance) C4'-P energy: -114.110 bonds (distance) P-C4' energy: -104.079 flat angles C4'-P-C4' energy: -117.173 flat angles P-C4'-P energy: -80.448 tors. eta vs tors. theta energy: -156.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1718.586742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.586742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.586742 (E_RNA) where: Base-Base interactions energy: -1188.927 where: short stacking energy: -521.582 Base-Backbone interact. energy: -1.183 local terms energy: -528.477601 where: bonds (distance) C4'-P energy: -101.614 bonds (distance) P-C4' energy: -102.652 flat angles C4'-P-C4' energy: -114.325 flat angles P-C4'-P energy: -76.686 tors. eta vs tors. theta energy: -133.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1590.603137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.603137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.603137 (E_RNA) where: Base-Base interactions energy: -1059.879 where: short stacking energy: -475.208 Base-Backbone interact. energy: 1.542 local terms energy: -532.266088 where: bonds (distance) C4'-P energy: -87.736 bonds (distance) P-C4' energy: -127.318 flat angles C4'-P-C4' energy: -106.827 flat angles P-C4'-P energy: -86.695 tors. eta vs tors. theta energy: -123.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1290.673087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.673087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.673087 (E_RNA) where: Base-Base interactions energy: -806.726 where: short stacking energy: -388.469 Base-Backbone interact. energy: -3.323 local terms energy: -480.624303 where: bonds (distance) C4'-P energy: -97.504 bonds (distance) P-C4' energy: -106.101 flat angles C4'-P-C4' energy: -96.164 flat angles P-C4'-P energy: -74.515 tors. eta vs tors. theta energy: -106.340 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: 436 Temperature: 1.300000 Total energy: -1174.812234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.812234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.812234 (E_RNA) where: Base-Base interactions energy: -723.552 where: short stacking energy: -351.945 Base-Backbone interact. energy: 0.340 local terms energy: -451.601043 where: bonds (distance) C4'-P energy: -101.663 bonds (distance) P-C4' energy: -101.681 flat angles C4'-P-C4' energy: -116.035 flat angles P-C4'-P energy: -67.888 tors. eta vs tors. theta energy: -64.333 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: 4 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -880.213801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.213801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.213801 (E_RNA) where: Base-Base interactions energy: -531.787 where: short stacking energy: -260.477 Base-Backbone interact. energy: 1.449 local terms energy: -349.875967 where: bonds (distance) C4'-P energy: -80.433 bonds (distance) P-C4' energy: -108.434 flat angles C4'-P-C4' energy: -87.865 flat angles P-C4'-P energy: -49.670 tors. eta vs tors. theta energy: -23.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2267.888576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.888576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.888576 (E_RNA) where: Base-Base interactions energy: -1593.304 where: short stacking energy: -668.980 Base-Backbone interact. energy: -1.994 local terms energy: -672.591054 where: bonds (distance) C4'-P energy: -116.733 bonds (distance) P-C4' energy: -119.650 flat angles C4'-P-C4' energy: -142.901 flat angles P-C4'-P energy: -89.977 tors. eta vs tors. theta energy: -203.330 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: 2, replica: 6 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2145.840064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.840064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.840064 (E_RNA) where: Base-Base interactions energy: -1473.546 where: short stacking energy: -630.022 Base-Backbone interact. energy: -3.331 local terms energy: -668.963294 where: bonds (distance) C4'-P energy: -114.031 bonds (distance) P-C4' energy: -131.434 flat angles C4'-P-C4' energy: -136.437 flat angles P-C4'-P energy: -101.162 tors. eta vs tors. theta energy: -185.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2076.238883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.238883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.238883 (E_RNA) where: Base-Base interactions energy: -1474.428 where: short stacking energy: -605.427 Base-Backbone interact. energy: -2.340 local terms energy: -599.470481 where: bonds (distance) C4'-P energy: -99.921 bonds (distance) P-C4' energy: -121.880 flat angles C4'-P-C4' energy: -130.369 flat angles P-C4'-P energy: -69.636 tors. eta vs tors. theta energy: -177.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2014.921167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.921167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.921167 (E_RNA) where: Base-Base interactions energy: -1411.263 where: short stacking energy: -590.661 Base-Backbone interact. energy: -2.977 local terms energy: -600.680943 where: bonds (distance) C4'-P energy: -108.047 bonds (distance) P-C4' energy: -121.117 flat angles C4'-P-C4' energy: -126.255 flat angles P-C4'-P energy: -78.824 tors. eta vs tors. theta energy: -166.439 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: 7 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1910.413976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.413976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.413976 (E_RNA) where: Base-Base interactions energy: -1343.340 where: short stacking energy: -593.889 Base-Backbone interact. energy: -0.294 local terms energy: -566.779483 where: bonds (distance) C4'-P energy: -103.501 bonds (distance) P-C4' energy: -113.348 flat angles C4'-P-C4' energy: -120.800 flat angles P-C4'-P energy: -70.945 tors. eta vs tors. theta energy: -158.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1753.277678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.277678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.277678 (E_RNA) where: Base-Base interactions energy: -1202.453 where: short stacking energy: -537.948 Base-Backbone interact. energy: -4.715 local terms energy: -546.109731 where: bonds (distance) C4'-P energy: -86.599 bonds (distance) P-C4' energy: -104.524 flat angles C4'-P-C4' energy: -123.861 flat angles P-C4'-P energy: -81.945 tors. eta vs tors. theta energy: -149.180 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: 7, replica: 1 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1648.129762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.129762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.129762 (E_RNA) where: Base-Base interactions energy: -1129.186 where: short stacking energy: -490.960 Base-Backbone interact. energy: -3.789 local terms energy: -515.154871 where: bonds (distance) C4'-P energy: -86.469 bonds (distance) P-C4' energy: -116.490 flat angles C4'-P-C4' energy: -114.420 flat angles P-C4'-P energy: -72.586 tors. eta vs tors. theta energy: -125.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1265.678334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.678334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.678334 (E_RNA) where: Base-Base interactions energy: -798.433 where: short stacking energy: -374.355 Base-Backbone interact. energy: -0.964 local terms energy: -466.280917 where: bonds (distance) C4'-P energy: -99.544 bonds (distance) P-C4' energy: -115.672 flat angles C4'-P-C4' energy: -97.233 flat angles P-C4'-P energy: -73.411 tors. eta vs tors. theta energy: -80.422 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: 9 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1129.211335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.211335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.211335 (E_RNA) where: Base-Base interactions energy: -686.826 where: short stacking energy: -339.385 Base-Backbone interact. energy: 2.882 local terms energy: -445.267371 where: bonds (distance) C4'-P energy: -102.645 bonds (distance) P-C4' energy: -97.913 flat angles C4'-P-C4' energy: -93.470 flat angles P-C4'-P energy: -67.503 tors. eta vs tors. theta energy: -83.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -894.767796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.767796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.767796 (E_RNA) where: Base-Base interactions energy: -528.738 where: short stacking energy: -248.704 Base-Backbone interact. energy: -1.437 local terms energy: -364.593289 where: bonds (distance) C4'-P energy: -105.677 bonds (distance) P-C4' energy: -101.531 flat angles C4'-P-C4' energy: -95.864 flat angles P-C4'-P energy: -37.510 tors. eta vs tors. theta energy: -24.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2288.419789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.419789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.419789 (E_RNA) where: Base-Base interactions energy: -1594.853 where: short stacking energy: -668.342 Base-Backbone interact. energy: -1.322 local terms energy: -692.244746 where: bonds (distance) C4'-P energy: -129.002 bonds (distance) P-C4' energy: -130.316 flat angles C4'-P-C4' energy: -137.886 flat angles P-C4'-P energy: -93.473 tors. eta vs tors. theta energy: -201.568 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: 6 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2184.246386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.246386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.246386 (E_RNA) where: Base-Base interactions energy: -1505.897 where: short stacking energy: -649.236 Base-Backbone interact. energy: -1.132 local terms energy: -677.217507 where: bonds (distance) C4'-P energy: -129.797 bonds (distance) P-C4' energy: -127.782 flat angles C4'-P-C4' energy: -131.038 flat angles P-C4'-P energy: -100.394 tors. eta vs tors. theta energy: -188.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2116.834758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.834758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.834758 (E_RNA) where: Base-Base interactions energy: -1482.508 where: short stacking energy: -624.617 Base-Backbone interact. energy: -5.910 local terms energy: -628.416487 where: bonds (distance) C4'-P energy: -110.296 bonds (distance) P-C4' energy: -118.610 flat angles C4'-P-C4' energy: -134.291 flat angles P-C4'-P energy: -84.268 tors. eta vs tors. theta energy: -180.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1990.114964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.114964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.114964 (E_RNA) where: Base-Base interactions energy: -1397.721 where: short stacking energy: -571.255 Base-Backbone interact. energy: -0.742 local terms energy: -591.651424 where: bonds (distance) C4'-P energy: -113.946 bonds (distance) P-C4' energy: -107.431 flat angles C4'-P-C4' energy: -126.805 flat angles P-C4'-P energy: -80.549 tors. eta vs tors. theta energy: -162.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1894.888519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.888519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.888519 (E_RNA) where: Base-Base interactions energy: -1301.095 where: short stacking energy: -571.634 Base-Backbone interact. energy: -1.774 local terms energy: -592.018804 where: bonds (distance) C4'-P energy: -110.567 bonds (distance) P-C4' energy: -110.847 flat angles C4'-P-C4' energy: -127.222 flat angles P-C4'-P energy: -85.353 tors. eta vs tors. theta energy: -158.030 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: 2 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1772.293093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.293093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.293093 (E_RNA) where: Base-Base interactions energy: -1201.944 where: short stacking energy: -561.182 Base-Backbone interact. energy: 0.927 local terms energy: -571.276020 where: bonds (distance) C4'-P energy: -97.199 bonds (distance) P-C4' energy: -107.604 flat angles C4'-P-C4' energy: -127.903 flat angles P-C4'-P energy: -80.311 tors. eta vs tors. theta energy: -158.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1689.129936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.129936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.129936 (E_RNA) where: Base-Base interactions energy: -1156.234 where: short stacking energy: -467.321 Base-Backbone interact. energy: -3.715 local terms energy: -529.180938 where: bonds (distance) C4'-P energy: -105.733 bonds (distance) P-C4' energy: -99.318 flat angles C4'-P-C4' energy: -119.868 flat angles P-C4'-P energy: -71.087 tors. eta vs tors. theta energy: -133.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1287.065644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.065644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.065644 (E_RNA) where: Base-Base interactions energy: -841.753 where: short stacking energy: -373.665 Base-Backbone interact. energy: -3.245 local terms energy: -442.067006 where: bonds (distance) C4'-P energy: -98.569 bonds (distance) P-C4' energy: -95.027 flat angles C4'-P-C4' energy: -102.097 flat angles P-C4'-P energy: -76.982 tors. eta vs tors. theta energy: -69.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1067.926891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.926891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.926891 (E_RNA) where: Base-Base interactions energy: -664.794 where: short stacking energy: -303.102 Base-Backbone interact. energy: 0.816 local terms energy: -403.948713 where: bonds (distance) C4'-P energy: -117.464 bonds (distance) P-C4' energy: -82.506 flat angles C4'-P-C4' energy: -112.292 flat angles P-C4'-P energy: -48.444 tors. eta vs tors. theta energy: -43.243 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: 4 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -815.803743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.803743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.803743 (E_RNA) where: Base-Base interactions energy: -508.847 where: short stacking energy: -251.237 Base-Backbone interact. energy: -1.050 local terms energy: -305.906641 where: bonds (distance) C4'-P energy: -92.574 bonds (distance) P-C4' energy: -88.830 flat angles C4'-P-C4' energy: -89.976 flat angles P-C4'-P energy: -22.967 tors. eta vs tors. theta energy: -11.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2254.958209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.958209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.958209 (E_RNA) where: Base-Base interactions energy: -1587.831 where: short stacking energy: -668.784 Base-Backbone interact. energy: -2.647 local terms energy: -664.479861 where: bonds (distance) C4'-P energy: -115.649 bonds (distance) P-C4' energy: -121.791 flat angles C4'-P-C4' energy: -129.358 flat angles P-C4'-P energy: -93.374 tors. eta vs tors. theta energy: -204.308 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: 6 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2168.213326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.213326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.213326 (E_RNA) where: Base-Base interactions energy: -1491.401 where: short stacking energy: -633.946 Base-Backbone interact. energy: -1.414 local terms energy: -675.398623 where: bonds (distance) C4'-P energy: -130.756 bonds (distance) P-C4' energy: -122.372 flat angles C4'-P-C4' energy: -139.404 flat angles P-C4'-P energy: -94.772 tors. eta vs tors. theta energy: -188.095 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: 3, replica: 5 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2071.801302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.801302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.801302 (E_RNA) where: Base-Base interactions energy: -1410.421 where: short stacking energy: -597.578 Base-Backbone interact. energy: -0.502 local terms energy: -660.878016 where: bonds (distance) C4'-P energy: -120.490 bonds (distance) P-C4' energy: -129.535 flat angles C4'-P-C4' energy: -135.472 flat angles P-C4'-P energy: -100.079 tors. eta vs tors. theta energy: -175.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1998.975976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.975976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.975976 (E_RNA) where: Base-Base interactions energy: -1428.524 where: short stacking energy: -579.196 Base-Backbone interact. energy: -3.568 local terms energy: -566.883645 where: bonds (distance) C4'-P energy: -108.768 bonds (distance) P-C4' energy: -115.481 flat angles C4'-P-C4' energy: -115.006 flat angles P-C4'-P energy: -74.508 tors. eta vs tors. theta energy: -153.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1902.609024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.609024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.609024 (E_RNA) where: Base-Base interactions energy: -1322.824 where: short stacking energy: -530.504 Base-Backbone interact. energy: -1.292 local terms energy: -578.492580 where: bonds (distance) C4'-P energy: -109.117 bonds (distance) P-C4' energy: -109.618 flat angles C4'-P-C4' energy: -124.226 flat angles P-C4'-P energy: -86.903 tors. eta vs tors. theta energy: -148.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1778.215639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.215639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.215639 (E_RNA) where: Base-Base interactions energy: -1192.049 where: short stacking energy: -544.638 Base-Backbone interact. energy: -1.169 local terms energy: -584.998040 where: bonds (distance) C4'-P energy: -104.653 bonds (distance) P-C4' energy: -119.617 flat angles C4'-P-C4' energy: -131.273 flat angles P-C4'-P energy: -75.450 tors. eta vs tors. theta energy: -154.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1631.976475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.976475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.976475 (E_RNA) where: Base-Base interactions energy: -1118.292 where: short stacking energy: -499.085 Base-Backbone interact. energy: -3.187 local terms energy: -510.497286 where: bonds (distance) C4'-P energy: -98.435 bonds (distance) P-C4' energy: -99.568 flat angles C4'-P-C4' energy: -112.722 flat angles P-C4'-P energy: -65.872 tors. eta vs tors. theta energy: -133.900 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: 8, replica: 9 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1078.764736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.764736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.764736 (E_RNA) where: Base-Base interactions energy: -650.832 where: short stacking energy: -325.642 Base-Backbone interact. energy: 1.486 local terms energy: -429.419188 where: bonds (distance) C4'-P energy: -83.567 bonds (distance) P-C4' energy: -113.790 flat angles C4'-P-C4' energy: -103.776 flat angles P-C4'-P energy: -67.186 tors. eta vs tors. theta energy: -61.099 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: 8 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1168.483157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.483157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.483157 (E_RNA) where: Base-Base interactions energy: -772.774 where: short stacking energy: -336.521 Base-Backbone interact. energy: 1.773 local terms energy: -397.482117 where: bonds (distance) C4'-P energy: -86.326 bonds (distance) P-C4' energy: -81.924 flat angles C4'-P-C4' energy: -111.390 flat angles P-C4'-P energy: -44.993 tors. eta vs tors. theta energy: -72.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -833.277548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.277548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.277548 (E_RNA) where: Base-Base interactions energy: -472.506 where: short stacking energy: -222.261 Base-Backbone interact. energy: 3.517 local terms energy: -364.288178 where: bonds (distance) C4'-P energy: -83.860 bonds (distance) P-C4' energy: -106.938 flat angles C4'-P-C4' energy: -94.624 flat angles P-C4'-P energy: -50.995 tors. eta vs tors. theta energy: -27.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2268.320151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.320151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.320151 (E_RNA) where: Base-Base interactions energy: -1575.972 where: short stacking energy: -645.096 Base-Backbone interact. energy: -3.004 local terms energy: -689.343167 where: bonds (distance) C4'-P energy: -115.450 bonds (distance) P-C4' energy: -127.038 flat angles C4'-P-C4' energy: -141.075 flat angles P-C4'-P energy: -106.228 tors. eta vs tors. theta energy: -199.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2149.378099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.378099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.378099 (E_RNA) where: Base-Base interactions energy: -1505.003 where: short stacking energy: -635.912 Base-Backbone interact. energy: -3.202 local terms energy: -641.172933 where: bonds (distance) C4'-P energy: -120.750 bonds (distance) P-C4' energy: -114.482 flat angles C4'-P-C4' energy: -129.638 flat angles P-C4'-P energy: -91.163 tors. eta vs tors. theta energy: -185.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2064.329913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.329913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.329913 (E_RNA) where: Base-Base interactions energy: -1430.921 where: short stacking energy: -601.207 Base-Backbone interact. energy: -0.187 local terms energy: -633.221197 where: bonds (distance) C4'-P energy: -121.667 bonds (distance) P-C4' energy: -117.480 flat angles C4'-P-C4' energy: -136.758 flat angles P-C4'-P energy: -86.449 tors. eta vs tors. theta energy: -170.868 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: 5 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2036.576777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.576777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.576777 (E_RNA) where: Base-Base interactions energy: -1432.194 where: short stacking energy: -592.201 Base-Backbone interact. energy: -2.125 local terms energy: -602.257667 where: bonds (distance) C4'-P energy: -111.979 bonds (distance) P-C4' energy: -121.587 flat angles C4'-P-C4' energy: -122.385 flat angles P-C4'-P energy: -76.529 tors. eta vs tors. theta energy: -169.778 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: 5, replica: 7 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1918.486124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.486124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.486124 (E_RNA) where: Base-Base interactions energy: -1335.591 where: short stacking energy: -579.838 Base-Backbone interact. energy: -0.757 local terms energy: -582.138033 where: bonds (distance) C4'-P energy: -114.965 bonds (distance) P-C4' energy: -99.329 flat angles C4'-P-C4' energy: -139.547 flat angles P-C4'-P energy: -70.758 tors. eta vs tors. theta energy: -157.539 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: 2 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1761.933085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.933085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.933085 (E_RNA) where: Base-Base interactions energy: -1185.351 where: short stacking energy: -536.488 Base-Backbone interact. energy: -1.916 local terms energy: -574.665485 where: bonds (distance) C4'-P energy: -97.548 bonds (distance) P-C4' energy: -125.038 flat angles C4'-P-C4' energy: -123.300 flat angles P-C4'-P energy: -82.157 tors. eta vs tors. theta energy: -146.623 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: 1 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1656.474850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.474850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.474850 (E_RNA) where: Base-Base interactions energy: -1129.550 where: short stacking energy: -492.506 Base-Backbone interact. energy: 0.323 local terms energy: -527.247657 where: bonds (distance) C4'-P energy: -109.529 bonds (distance) P-C4' energy: -101.038 flat angles C4'-P-C4' energy: -114.472 flat angles P-C4'-P energy: -71.880 tors. eta vs tors. theta energy: -130.329 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: 8, replica: 9 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1131.238957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.238957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.238957 (E_RNA) where: Base-Base interactions energy: -713.103 where: short stacking energy: -346.822 Base-Backbone interact. energy: -1.259 local terms energy: -416.876786 where: bonds (distance) C4'-P energy: -102.911 bonds (distance) P-C4' energy: -98.503 flat angles C4'-P-C4' energy: -110.154 flat angles P-C4'-P energy: -46.210 tors. eta vs tors. theta energy: -59.099 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: 8 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1218.139159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.139159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.139159 (E_RNA) where: Base-Base interactions energy: -748.735 where: short stacking energy: -325.978 Base-Backbone interact. energy: 3.014 local terms energy: -472.417628 where: bonds (distance) C4'-P energy: -102.048 bonds (distance) P-C4' energy: -115.689 flat angles C4'-P-C4' energy: -105.601 flat angles P-C4'-P energy: -79.116 tors. eta vs tors. theta energy: -69.962 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: 4 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -833.813726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.813726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.813726 (E_RNA) where: Base-Base interactions energy: -501.671 where: short stacking energy: -250.688 Base-Backbone interact. energy: 1.261 local terms energy: -333.403598 where: bonds (distance) C4'-P energy: -89.882 bonds (distance) P-C4' energy: -102.665 flat angles C4'-P-C4' energy: -88.057 flat angles P-C4'-P energy: -35.758 tors. eta vs tors. theta energy: -17.041 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: 441 Temperature: 0.900000 Total energy: -2275.694458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.694458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.694458 (E_RNA) where: Base-Base interactions energy: -1592.734 where: short stacking energy: -657.118 Base-Backbone interact. energy: -1.149 local terms energy: -681.811005 where: bonds (distance) C4'-P energy: -133.430 bonds (distance) P-C4' energy: -120.655 flat angles C4'-P-C4' energy: -135.972 flat angles P-C4'-P energy: -93.106 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: 2, replica: 6 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2174.955437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.955437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.955437 (E_RNA) where: Base-Base interactions energy: -1523.790 where: short stacking energy: -633.037 Base-Backbone interact. energy: -2.186 local terms energy: -648.979769 where: bonds (distance) C4'-P energy: -107.238 bonds (distance) P-C4' energy: -120.564 flat angles C4'-P-C4' energy: -137.233 flat angles P-C4'-P energy: -96.198 tors. eta vs tors. theta energy: -187.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2089.397139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.397139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.397139 (E_RNA) where: Base-Base interactions energy: -1457.128 where: short stacking energy: -591.791 Base-Backbone interact. energy: -1.498 local terms energy: -630.771182 where: bonds (distance) C4'-P energy: -122.672 bonds (distance) P-C4' energy: -115.450 flat angles C4'-P-C4' energy: -130.064 flat angles P-C4'-P energy: -93.617 tors. eta vs tors. theta energy: -168.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2036.219981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.219981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.219981 (E_RNA) where: Base-Base interactions energy: -1435.775 where: short stacking energy: -588.364 Base-Backbone interact. energy: 1.840 local terms energy: -602.285938 where: bonds (distance) C4'-P energy: -110.171 bonds (distance) P-C4' energy: -116.526 flat angles C4'-P-C4' energy: -124.975 flat angles P-C4'-P energy: -82.381 tors. eta vs tors. theta energy: -168.232 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: 7 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1939.490652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.490652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.490652 (E_RNA) where: Base-Base interactions energy: -1357.062 where: short stacking energy: -585.984 Base-Backbone interact. energy: -1.228 local terms energy: -581.200846 where: bonds (distance) C4'-P energy: -110.023 bonds (distance) P-C4' energy: -113.119 flat angles C4'-P-C4' energy: -123.306 flat angles P-C4'-P energy: -74.329 tors. eta vs tors. theta energy: -160.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1760.794133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.794133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.794133 (E_RNA) where: Base-Base interactions energy: -1175.490 where: short stacking energy: -527.734 Base-Backbone interact. energy: 0.052 local terms energy: -585.356121 where: bonds (distance) C4'-P energy: -110.127 bonds (distance) P-C4' energy: -109.079 flat angles C4'-P-C4' energy: -137.169 flat angles P-C4'-P energy: -81.164 tors. eta vs tors. theta energy: -147.818 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: 1 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1608.686312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.686312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.686312 (E_RNA) where: Base-Base interactions energy: -1087.243 where: short stacking energy: -472.293 Base-Backbone interact. energy: 4.102 local terms energy: -525.545088 where: bonds (distance) C4'-P energy: -89.348 bonds (distance) P-C4' energy: -107.735 flat angles C4'-P-C4' energy: -131.395 flat angles P-C4'-P energy: -74.251 tors. eta vs tors. theta energy: -122.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1230.718849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.718849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.718849 (E_RNA) where: Base-Base interactions energy: -798.926 where: short stacking energy: -365.881 Base-Backbone interact. energy: -1.899 local terms energy: -429.893146 where: bonds (distance) C4'-P energy: -94.882 bonds (distance) P-C4' energy: -105.958 flat angles C4'-P-C4' energy: -103.029 flat angles P-C4'-P energy: -62.426 tors. eta vs tors. theta energy: -63.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1079.177850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.177850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.177850 (E_RNA) where: Base-Base interactions energy: -668.689 where: short stacking energy: -319.621 Base-Backbone interact. energy: -2.002 local terms energy: -408.487550 where: bonds (distance) C4'-P energy: -91.120 bonds (distance) P-C4' energy: -114.839 flat angles C4'-P-C4' energy: -84.794 flat angles P-C4'-P energy: -57.235 tors. eta vs tors. theta energy: -60.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -843.668082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.668082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.668082 (E_RNA) where: Base-Base interactions energy: -459.135 where: short stacking energy: -229.830 Base-Backbone interact. energy: 0.344 local terms energy: -384.876166 where: bonds (distance) C4'-P energy: -97.277 bonds (distance) P-C4' energy: -102.308 flat angles C4'-P-C4' energy: -99.393 flat angles P-C4'-P energy: -58.782 tors. eta vs tors. theta energy: -27.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2267.496342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.496342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.496342 (E_RNA) where: Base-Base interactions energy: -1566.518 where: short stacking energy: -659.518 Base-Backbone interact. energy: -1.477 local terms energy: -699.501283 where: bonds (distance) C4'-P energy: -116.207 bonds (distance) P-C4' energy: -141.553 flat angles C4'-P-C4' energy: -143.245 flat angles P-C4'-P energy: -98.415 tors. eta vs tors. theta energy: -200.082 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: 2, replica: 6 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2164.306936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.306936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.306936 (E_RNA) where: Base-Base interactions energy: -1530.890 where: short stacking energy: -644.847 Base-Backbone interact. energy: -0.242 local terms energy: -633.174503 where: bonds (distance) C4'-P energy: -114.961 bonds (distance) P-C4' energy: -118.739 flat angles C4'-P-C4' energy: -128.008 flat angles P-C4'-P energy: -91.083 tors. eta vs tors. theta energy: -180.384 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: 3 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2064.082273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.082273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.082273 (E_RNA) where: Base-Base interactions energy: -1429.192 where: short stacking energy: -598.532 Base-Backbone interact. energy: -1.275 local terms energy: -633.615782 where: bonds (distance) C4'-P energy: -105.944 bonds (distance) P-C4' energy: -120.343 flat angles C4'-P-C4' energy: -141.556 flat angles P-C4'-P energy: -95.847 tors. eta vs tors. theta energy: -169.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2020.244999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.244999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.244999 (E_RNA) where: Base-Base interactions energy: -1432.090 where: short stacking energy: -578.982 Base-Backbone interact. energy: -3.368 local terms energy: -584.787012 where: bonds (distance) C4'-P energy: -107.106 bonds (distance) P-C4' energy: -96.213 flat angles C4'-P-C4' energy: -128.027 flat angles P-C4'-P energy: -81.587 tors. eta vs tors. theta energy: -171.855 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: 7 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1893.145221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.145221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.145221 (E_RNA) where: Base-Base interactions energy: -1361.375 where: short stacking energy: -563.123 Base-Backbone interact. energy: 1.974 local terms energy: -533.744019 where: bonds (distance) C4'-P energy: -90.757 bonds (distance) P-C4' energy: -99.044 flat angles C4'-P-C4' energy: -109.917 flat angles P-C4'-P energy: -75.117 tors. eta vs tors. theta energy: -158.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1778.673230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.673230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.673230 (E_RNA) where: Base-Base interactions energy: -1218.053 where: short stacking energy: -523.129 Base-Backbone interact. energy: -0.932 local terms energy: -559.687841 where: bonds (distance) C4'-P energy: -102.812 bonds (distance) P-C4' energy: -110.963 flat angles C4'-P-C4' energy: -128.027 flat angles P-C4'-P energy: -76.292 tors. eta vs tors. theta energy: -141.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1609.887501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.887501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.887501 (E_RNA) where: Base-Base interactions energy: -1087.662 where: short stacking energy: -472.567 Base-Backbone interact. energy: -2.705 local terms energy: -519.520364 where: bonds (distance) C4'-P energy: -104.193 bonds (distance) P-C4' energy: -123.633 flat angles C4'-P-C4' energy: -114.016 flat angles P-C4'-P energy: -69.310 tors. eta vs tors. theta energy: -108.369 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: 8 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1262.062323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.062323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.062323 (E_RNA) where: Base-Base interactions energy: -787.707 where: short stacking energy: -371.442 Base-Backbone interact. energy: -3.750 local terms energy: -470.605820 where: bonds (distance) C4'-P energy: -105.381 bonds (distance) P-C4' energy: -113.669 flat angles C4'-P-C4' energy: -111.856 flat angles P-C4'-P energy: -63.061 tors. eta vs tors. theta energy: -76.639 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: 442 Temperature: 1.300000 Total energy: -1104.431846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.431846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.431846 (E_RNA) where: Base-Base interactions energy: -696.970 where: short stacking energy: -331.867 Base-Backbone interact. energy: 4.242 local terms energy: -411.703396 where: bonds (distance) C4'-P energy: -107.108 bonds (distance) P-C4' energy: -80.342 flat angles C4'-P-C4' energy: -94.248 flat angles P-C4'-P energy: -69.693 tors. eta vs tors. theta energy: -60.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -834.465692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.465692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.465692 (E_RNA) where: Base-Base interactions energy: -499.881 where: short stacking energy: -248.672 Base-Backbone interact. energy: -3.216 local terms energy: -331.368327 where: bonds (distance) C4'-P energy: -75.640 bonds (distance) P-C4' energy: -110.687 flat angles C4'-P-C4' energy: -86.220 flat angles P-C4'-P energy: -46.810 tors. eta vs tors. theta energy: -12.011 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: 1, replica: 10 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2266.672941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.672941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.672941 (E_RNA) where: Base-Base interactions energy: -1583.171 where: short stacking energy: -658.512 Base-Backbone interact. energy: -2.953 local terms energy: -680.549455 where: bonds (distance) C4'-P energy: -128.581 bonds (distance) P-C4' energy: -115.431 flat angles C4'-P-C4' energy: -138.131 flat angles P-C4'-P energy: -99.912 tors. eta vs tors. theta energy: -198.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2172.206321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.206321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.206321 (E_RNA) where: Base-Base interactions energy: -1508.007 where: short stacking energy: -653.547 Base-Backbone interact. energy: -2.365 local terms energy: -661.833642 where: bonds (distance) C4'-P energy: -106.481 bonds (distance) P-C4' energy: -113.425 flat angles C4'-P-C4' energy: -137.426 flat angles P-C4'-P energy: -110.387 tors. eta vs tors. theta energy: -194.115 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: 3 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2081.979004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.979004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.979004 (E_RNA) where: Base-Base interactions energy: -1479.056 where: short stacking energy: -606.745 Base-Backbone interact. energy: 1.815 local terms energy: -604.737973 where: bonds (distance) C4'-P energy: -126.174 bonds (distance) P-C4' energy: -117.337 flat angles C4'-P-C4' energy: -128.377 flat angles P-C4'-P energy: -72.055 tors. eta vs tors. theta energy: -160.794 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: 5 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2005.139268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.139268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.139268 (E_RNA) where: Base-Base interactions energy: -1402.463 where: short stacking energy: -584.856 Base-Backbone interact. energy: -2.758 local terms energy: -599.918315 where: bonds (distance) C4'-P energy: -87.215 bonds (distance) P-C4' energy: -116.233 flat angles C4'-P-C4' energy: -141.129 flat angles P-C4'-P energy: -81.696 tors. eta vs tors. theta energy: -173.645 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: 7 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1920.230626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.230626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.230626 (E_RNA) where: Base-Base interactions energy: -1343.071 where: short stacking energy: -567.203 Base-Backbone interact. energy: 0.622 local terms energy: -577.781715 where: bonds (distance) C4'-P energy: -101.195 bonds (distance) P-C4' energy: -107.391 flat angles C4'-P-C4' energy: -129.982 flat angles P-C4'-P energy: -82.001 tors. eta vs tors. theta energy: -157.213 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: 6, replica: 2 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1774.446637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.446637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.446637 (E_RNA) where: Base-Base interactions energy: -1204.522 where: short stacking energy: -527.859 Base-Backbone interact. energy: -2.468 local terms energy: -567.456483 where: bonds (distance) C4'-P energy: -110.102 bonds (distance) P-C4' energy: -111.095 flat angles C4'-P-C4' energy: -126.079 flat angles P-C4'-P energy: -75.808 tors. eta vs tors. theta energy: -144.372 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: 1 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1559.288971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.288971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.288971 (E_RNA) where: Base-Base interactions energy: -1067.664 where: short stacking energy: -443.418 Base-Backbone interact. energy: 2.125 local terms energy: -493.750510 where: bonds (distance) C4'-P energy: -104.591 bonds (distance) P-C4' energy: -106.195 flat angles C4'-P-C4' energy: -105.357 flat angles P-C4'-P energy: -70.682 tors. eta vs tors. theta energy: -106.925 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: 8 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1229.784800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.784800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.784800 (E_RNA) where: Base-Base interactions energy: -772.249 where: short stacking energy: -365.145 Base-Backbone interact. energy: 0.109 local terms energy: -457.645025 where: bonds (distance) C4'-P energy: -110.604 bonds (distance) P-C4' energy: -104.527 flat angles C4'-P-C4' energy: -112.781 flat angles P-C4'-P energy: -60.499 tors. eta vs tors. theta energy: -69.233 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: 9 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1114.321614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.321614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.321614 (E_RNA) where: Base-Base interactions energy: -669.875 where: short stacking energy: -312.624 Base-Backbone interact. energy: -0.314 local terms energy: -444.133004 where: bonds (distance) C4'-P energy: -106.662 bonds (distance) P-C4' energy: -101.050 flat angles C4'-P-C4' energy: -114.474 flat angles P-C4'-P energy: -75.291 tors. eta vs tors. theta energy: -46.655 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: 10, replica: 4 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -827.391928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.391928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.391928 (E_RNA) where: Base-Base interactions energy: -480.555 where: short stacking energy: -250.202 Base-Backbone interact. energy: 1.497 local terms energy: -348.334329 where: bonds (distance) C4'-P energy: -96.359 bonds (distance) P-C4' energy: -120.147 flat angles C4'-P-C4' energy: -78.852 flat angles P-C4'-P energy: -33.532 tors. eta vs tors. theta energy: -19.445 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: 1, replica: 10 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2286.924081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.924081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.924081 (E_RNA) where: Base-Base interactions energy: -1619.281 where: short stacking energy: -674.982 Base-Backbone interact. energy: -4.260 local terms energy: -663.382298 where: bonds (distance) C4'-P energy: -134.328 bonds (distance) P-C4' energy: -108.460 flat angles C4'-P-C4' energy: -139.276 flat angles P-C4'-P energy: -82.308 tors. eta vs tors. theta energy: -199.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2158.948485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.948485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.948485 (E_RNA) where: Base-Base interactions energy: -1491.731 where: short stacking energy: -627.817 Base-Backbone interact. energy: -0.924 local terms energy: -666.294016 where: bonds (distance) C4'-P energy: -127.642 bonds (distance) P-C4' energy: -122.337 flat angles C4'-P-C4' energy: -129.515 flat angles P-C4'-P energy: -97.112 tors. eta vs tors. theta energy: -189.689 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: 3, replica: 3 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2147.108449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.108449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.108449 (E_RNA) where: Base-Base interactions energy: -1490.525 where: short stacking energy: -616.279 Base-Backbone interact. energy: -1.095 local terms energy: -655.488765 where: bonds (distance) C4'-P energy: -120.673 bonds (distance) P-C4' energy: -127.151 flat angles C4'-P-C4' energy: -137.844 flat angles P-C4'-P energy: -97.704 tors. eta vs tors. theta energy: -172.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2040.647164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.647164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.647164 (E_RNA) where: Base-Base interactions energy: -1411.146 where: short stacking energy: -606.794 Base-Backbone interact. energy: -4.149 local terms energy: -625.351703 where: bonds (distance) C4'-P energy: -122.664 bonds (distance) P-C4' energy: -117.135 flat angles C4'-P-C4' energy: -129.962 flat angles P-C4'-P energy: -87.398 tors. eta vs tors. theta energy: -168.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1936.982539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.982539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.982539 (E_RNA) where: Base-Base interactions energy: -1343.865 where: short stacking energy: -581.316 Base-Backbone interact. energy: 2.326 local terms energy: -595.443638 where: bonds (distance) C4'-P energy: -101.079 bonds (distance) P-C4' energy: -107.199 flat angles C4'-P-C4' energy: -136.673 flat angles P-C4'-P energy: -83.764 tors. eta vs tors. theta energy: -166.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1737.126578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.126578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.126578 (E_RNA) where: Base-Base interactions energy: -1176.656 where: short stacking energy: -537.344 Base-Backbone interact. energy: -1.585 local terms energy: -558.885289 where: bonds (distance) C4'-P energy: -91.324 bonds (distance) P-C4' energy: -112.221 flat angles C4'-P-C4' energy: -126.264 flat angles P-C4'-P energy: -76.746 tors. eta vs tors. theta energy: -152.331 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: 1 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1597.691541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.691541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.691541 (E_RNA) where: Base-Base interactions energy: -1065.219 where: short stacking energy: -467.648 Base-Backbone interact. energy: 2.112 local terms energy: -534.585397 where: bonds (distance) C4'-P energy: -104.525 bonds (distance) P-C4' energy: -94.448 flat angles C4'-P-C4' energy: -124.818 flat angles P-C4'-P energy: -87.933 tors. eta vs tors. theta energy: -122.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1229.037585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.037585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.037585 (E_RNA) where: Base-Base interactions energy: -765.012 where: short stacking energy: -323.775 Base-Backbone interact. energy: -0.544 local terms energy: -463.481328 where: bonds (distance) C4'-P energy: -98.931 bonds (distance) P-C4' energy: -121.240 flat angles C4'-P-C4' energy: -105.729 flat angles P-C4'-P energy: -69.137 tors. eta vs tors. theta energy: -68.445 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: 9, replica: 9 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1132.624763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.624763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.624763 (E_RNA) where: Base-Base interactions energy: -714.292 where: short stacking energy: -331.447 Base-Backbone interact. energy: -0.389 local terms energy: -417.943082 where: bonds (distance) C4'-P energy: -87.104 bonds (distance) P-C4' energy: -102.271 flat angles C4'-P-C4' energy: -100.189 flat angles P-C4'-P energy: -60.171 tors. eta vs tors. theta energy: -68.208 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: 4 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -787.955948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.955948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.955948 (E_RNA) where: Base-Base interactions energy: -430.940 where: short stacking energy: -237.595 Base-Backbone interact. energy: -0.665 local terms energy: -356.350622 where: bonds (distance) C4'-P energy: -100.757 bonds (distance) P-C4' energy: -105.009 flat angles C4'-P-C4' energy: -90.810 flat angles P-C4'-P energy: -38.693 tors. eta vs tors. theta energy: -21.082 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: 10 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2282.198342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.198342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.198342 (E_RNA) where: Base-Base interactions energy: -1599.111 where: short stacking energy: -659.047 Base-Backbone interact. energy: -1.782 local terms energy: -681.305551 where: bonds (distance) C4'-P energy: -111.860 bonds (distance) P-C4' energy: -132.137 flat angles C4'-P-C4' energy: -141.785 flat angles P-C4'-P energy: -92.136 tors. eta vs tors. theta energy: -203.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2155.835424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.835424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.835424 (E_RNA) where: Base-Base interactions energy: -1497.718 where: short stacking energy: -624.526 Base-Backbone interact. energy: -3.622 local terms energy: -654.495337 where: bonds (distance) C4'-P energy: -116.585 bonds (distance) P-C4' energy: -125.771 flat angles C4'-P-C4' energy: -134.938 flat angles P-C4'-P energy: -93.109 tors. eta vs tors. theta energy: -184.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2088.269964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.269964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.269964 (E_RNA) where: Base-Base interactions energy: -1461.138 where: short stacking energy: -625.447 Base-Backbone interact. energy: -1.733 local terms energy: -625.399385 where: bonds (distance) C4'-P energy: -109.254 bonds (distance) P-C4' energy: -118.157 flat angles C4'-P-C4' energy: -135.890 flat angles P-C4'-P energy: -83.889 tors. eta vs tors. theta energy: -178.211 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: 4, replica: 5 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2011.914812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.914812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.914812 (E_RNA) where: Base-Base interactions energy: -1377.191 where: short stacking energy: -583.498 Base-Backbone interact. energy: -1.060 local terms energy: -633.663464 where: bonds (distance) C4'-P energy: -120.064 bonds (distance) P-C4' energy: -117.827 flat angles C4'-P-C4' energy: -127.033 flat angles P-C4'-P energy: -91.328 tors. eta vs tors. theta energy: -177.412 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: 5, replica: 7 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1910.545000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.545000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.545000 (E_RNA) where: Base-Base interactions energy: -1322.546 where: short stacking energy: -558.367 Base-Backbone interact. energy: -1.723 local terms energy: -586.275685 where: bonds (distance) C4'-P energy: -115.735 bonds (distance) P-C4' energy: -111.275 flat angles C4'-P-C4' energy: -127.862 flat angles P-C4'-P energy: -64.900 tors. eta vs tors. theta energy: -166.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1716.495797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.495797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.495797 (E_RNA) where: Base-Base interactions energy: -1173.129 where: short stacking energy: -501.808 Base-Backbone interact. energy: 0.554 local terms energy: -543.920724 where: bonds (distance) C4'-P energy: -108.765 bonds (distance) P-C4' energy: -106.142 flat angles C4'-P-C4' energy: -110.739 flat angles P-C4'-P energy: -91.125 tors. eta vs tors. theta energy: -127.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1609.096060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.096060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.096060 (E_RNA) where: Base-Base interactions energy: -1093.612 where: short stacking energy: -468.325 Base-Backbone interact. energy: 0.547 local terms energy: -516.030300 where: bonds (distance) C4'-P energy: -104.971 bonds (distance) P-C4' energy: -108.734 flat angles C4'-P-C4' energy: -109.844 flat angles P-C4'-P energy: -79.702 tors. eta vs tors. theta energy: -112.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1235.442263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.442263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.442263 (E_RNA) where: Base-Base interactions energy: -771.211 where: short stacking energy: -349.568 Base-Backbone interact. energy: -0.564 local terms energy: -463.667106 where: bonds (distance) C4'-P energy: -101.968 bonds (distance) P-C4' energy: -105.215 flat angles C4'-P-C4' energy: -116.943 flat angles P-C4'-P energy: -60.222 tors. eta vs tors. theta energy: -79.320 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: 445 Temperature: 1.300000 Total energy: -1086.728117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.728117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.728117 (E_RNA) where: Base-Base interactions energy: -661.188 where: short stacking energy: -322.269 Base-Backbone interact. energy: -1.774 local terms energy: -423.766734 where: bonds (distance) C4'-P energy: -96.462 bonds (distance) P-C4' energy: -100.454 flat angles C4'-P-C4' energy: -115.201 flat angles P-C4'-P energy: -53.319 tors. eta vs tors. theta energy: -58.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -791.084066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.084066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.084066 (E_RNA) where: Base-Base interactions energy: -422.395 where: short stacking energy: -241.916 Base-Backbone interact. energy: -0.784 local terms energy: -367.904404 where: bonds (distance) C4'-P energy: -108.560 bonds (distance) P-C4' energy: -94.732 flat angles C4'-P-C4' energy: -78.793 flat angles P-C4'-P energy: -76.563 tors. eta vs tors. theta energy: -9.256 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: 10 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2281.615198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.615198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.615198 (E_RNA) where: Base-Base interactions energy: -1584.680 where: short stacking energy: -692.624 Base-Backbone interact. energy: -2.226 local terms energy: -694.709345 where: bonds (distance) C4'-P energy: -134.387 bonds (distance) P-C4' energy: -114.497 flat angles C4'-P-C4' energy: -141.692 flat angles P-C4'-P energy: -94.863 tors. eta vs tors. theta energy: -209.270 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: 6 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2168.826043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.826043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.826043 (E_RNA) where: Base-Base interactions energy: -1523.631 where: short stacking energy: -659.172 Base-Backbone interact. energy: -1.640 local terms energy: -643.554297 where: bonds (distance) C4'-P energy: -109.772 bonds (distance) P-C4' energy: -112.267 flat angles C4'-P-C4' energy: -140.956 flat angles P-C4'-P energy: -92.762 tors. eta vs tors. theta energy: -187.797 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: 3, replica: 3 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2068.373815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.373815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.373815 (E_RNA) where: Base-Base interactions energy: -1447.059 where: short stacking energy: -594.345 Base-Backbone interact. energy: -0.227 local terms energy: -621.088230 where: bonds (distance) C4'-P energy: -111.072 bonds (distance) P-C4' energy: -124.015 flat angles C4'-P-C4' energy: -131.821 flat angles P-C4'-P energy: -84.079 tors. eta vs tors. theta energy: -170.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2026.188513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.188513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.188513 (E_RNA) where: Base-Base interactions energy: -1397.449 where: short stacking energy: -583.389 Base-Backbone interact. energy: -3.967 local terms energy: -624.772250 where: bonds (distance) C4'-P energy: -115.798 bonds (distance) P-C4' energy: -115.154 flat angles C4'-P-C4' energy: -144.881 flat angles P-C4'-P energy: -86.159 tors. eta vs tors. theta energy: -162.781 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: 7 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1921.281582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.281582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.281582 (E_RNA) where: Base-Base interactions energy: -1322.035 where: short stacking energy: -550.611 Base-Backbone interact. energy: -0.806 local terms energy: -598.441071 where: bonds (distance) C4'-P energy: -118.781 bonds (distance) P-C4' energy: -111.388 flat angles C4'-P-C4' energy: -120.033 flat angles P-C4'-P energy: -86.719 tors. eta vs tors. theta energy: -161.521 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: 2 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1835.560736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.560736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.560736 (E_RNA) where: Base-Base interactions energy: -1260.994 where: short stacking energy: -559.560 Base-Backbone interact. energy: -1.123 local terms energy: -573.444246 where: bonds (distance) C4'-P energy: -94.093 bonds (distance) P-C4' energy: -124.353 flat angles C4'-P-C4' energy: -120.701 flat angles P-C4'-P energy: -75.861 tors. eta vs tors. theta energy: -158.436 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: 1 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1625.595685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.595685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.595685 (E_RNA) where: Base-Base interactions energy: -1118.740 where: short stacking energy: -505.477 Base-Backbone interact. energy: -4.586 local terms energy: -502.269667 where: bonds (distance) C4'-P energy: -98.671 bonds (distance) P-C4' energy: -87.294 flat angles C4'-P-C4' energy: -110.730 flat angles P-C4'-P energy: -78.727 tors. eta vs tors. theta energy: -126.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1207.336143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.336143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.336143 (E_RNA) where: Base-Base interactions energy: -786.175 where: short stacking energy: -362.588 Base-Backbone interact. energy: 4.931 local terms energy: -426.091586 where: bonds (distance) C4'-P energy: -97.033 bonds (distance) P-C4' energy: -101.931 flat angles C4'-P-C4' energy: -94.284 flat angles P-C4'-P energy: -71.813 tors. eta vs tors. theta energy: -61.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1080.308199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.308199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.308199 (E_RNA) where: Base-Base interactions energy: -649.776 where: short stacking energy: -308.851 Base-Backbone interact. energy: -0.371 local terms energy: -430.160887 where: bonds (distance) C4'-P energy: -91.929 bonds (distance) P-C4' energy: -114.643 flat angles C4'-P-C4' energy: -111.949 flat angles P-C4'-P energy: -58.822 tors. eta vs tors. theta energy: -52.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -794.969596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.969596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.969596 (E_RNA) where: Base-Base interactions energy: -452.771 where: short stacking energy: -212.299 Base-Backbone interact. energy: -0.895 local terms energy: -341.303077 where: bonds (distance) C4'-P energy: -85.387 bonds (distance) P-C4' energy: -108.285 flat angles C4'-P-C4' energy: -87.706 flat angles P-C4'-P energy: -48.512 tors. eta vs tors. theta energy: -11.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2253.143788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.143788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.143788 (E_RNA) where: Base-Base interactions energy: -1572.648 where: short stacking energy: -663.690 Base-Backbone interact. energy: -1.640 local terms energy: -678.856399 where: bonds (distance) C4'-P energy: -120.108 bonds (distance) P-C4' energy: -125.927 flat angles C4'-P-C4' energy: -142.745 flat angles P-C4'-P energy: -92.044 tors. eta vs tors. theta energy: -198.032 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: 2, replica: 6 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2188.805621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.805621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.805621 (E_RNA) where: Base-Base interactions energy: -1544.584 where: short stacking energy: -642.549 Base-Backbone interact. energy: -1.337 local terms energy: -642.884637 where: bonds (distance) C4'-P energy: -98.295 bonds (distance) P-C4' energy: -124.175 flat angles C4'-P-C4' energy: -139.434 flat angles P-C4'-P energy: -93.146 tors. eta vs tors. theta energy: -187.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2089.529581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.529581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.529581 (E_RNA) where: Base-Base interactions energy: -1472.220 where: short stacking energy: -601.781 Base-Backbone interact. energy: -0.427 local terms energy: -616.882793 where: bonds (distance) C4'-P energy: -116.702 bonds (distance) P-C4' energy: -107.835 flat angles C4'-P-C4' energy: -134.890 flat angles P-C4'-P energy: -88.589 tors. eta vs tors. theta energy: -168.868 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: 5 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2025.507605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.507605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.507605 (E_RNA) where: Base-Base interactions energy: -1420.566 where: short stacking energy: -585.804 Base-Backbone interact. energy: -4.242 local terms energy: -600.699483 where: bonds (distance) C4'-P energy: -112.160 bonds (distance) P-C4' energy: -100.803 flat angles C4'-P-C4' energy: -124.817 flat angles P-C4'-P energy: -90.983 tors. eta vs tors. theta energy: -171.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1883.340116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.340116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.340116 (E_RNA) where: Base-Base interactions energy: -1308.384 where: short stacking energy: -573.043 Base-Backbone interact. energy: -3.488 local terms energy: -571.468391 where: bonds (distance) C4'-P energy: -102.005 bonds (distance) P-C4' energy: -98.547 flat angles C4'-P-C4' energy: -134.939 flat angles P-C4'-P energy: -75.671 tors. eta vs tors. theta energy: -160.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1806.297245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.297245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.297245 (E_RNA) where: Base-Base interactions energy: -1233.044 where: short stacking energy: -542.606 Base-Backbone interact. energy: -0.693 local terms energy: -572.560236 where: bonds (distance) C4'-P energy: -100.625 bonds (distance) P-C4' energy: -109.757 flat angles C4'-P-C4' energy: -123.908 flat angles P-C4'-P energy: -75.396 tors. eta vs tors. theta energy: -162.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1616.688310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.688310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.688310 (E_RNA) where: Base-Base interactions energy: -1093.907 where: short stacking energy: -487.459 Base-Backbone interact. energy: 1.713 local terms energy: -524.494370 where: bonds (distance) C4'-P energy: -93.887 bonds (distance) P-C4' energy: -110.673 flat angles C4'-P-C4' energy: -121.412 flat angles P-C4'-P energy: -69.191 tors. eta vs tors. theta energy: -129.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1175.798027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.798027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.798027 (E_RNA) where: Base-Base interactions energy: -717.165 where: short stacking energy: -367.576 Base-Backbone interact. energy: -3.238 local terms energy: -455.394533 where: bonds (distance) C4'-P energy: -115.654 bonds (distance) P-C4' energy: -105.953 flat angles C4'-P-C4' energy: -102.155 flat angles P-C4'-P energy: -61.199 tors. eta vs tors. theta energy: -70.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1156.846647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.846647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.846647 (E_RNA) where: Base-Base interactions energy: -749.297 where: short stacking energy: -325.139 Base-Backbone interact. energy: 0.485 local terms energy: -408.035056 where: bonds (distance) C4'-P energy: -92.982 bonds (distance) P-C4' energy: -106.769 flat angles C4'-P-C4' energy: -106.026 flat angles P-C4'-P energy: -61.389 tors. eta vs tors. theta energy: -40.868 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: 4 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -775.832166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.832166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.832166 (E_RNA) where: Base-Base interactions energy: -445.036 where: short stacking energy: -244.454 Base-Backbone interact. energy: 2.025 local terms energy: -332.821802 where: bonds (distance) C4'-P energy: -89.147 bonds (distance) P-C4' energy: -103.561 flat angles C4'-P-C4' energy: -92.188 flat angles P-C4'-P energy: -40.009 tors. eta vs tors. theta energy: -7.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2247.015689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.015689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.015689 (E_RNA) where: Base-Base interactions energy: -1569.059 where: short stacking energy: -662.507 Base-Backbone interact. energy: -3.095 local terms energy: -674.860877 where: bonds (distance) C4'-P energy: -127.404 bonds (distance) P-C4' energy: -117.965 flat angles C4'-P-C4' energy: -140.045 flat angles P-C4'-P energy: -95.126 tors. eta vs tors. theta energy: -194.322 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: 10 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2221.692179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.692179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.692179 (E_RNA) where: Base-Base interactions energy: -1559.873 where: short stacking energy: -650.209 Base-Backbone interact. energy: -1.654 local terms energy: -660.164524 where: bonds (distance) C4'-P energy: -123.280 bonds (distance) P-C4' energy: -125.705 flat angles C4'-P-C4' energy: -125.559 flat angles P-C4'-P energy: -90.144 tors. eta vs tors. theta energy: -195.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2106.854902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.854902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.854902 (E_RNA) where: Base-Base interactions energy: -1485.128 where: short stacking energy: -617.256 Base-Backbone interact. energy: 0.002 local terms energy: -621.728895 where: bonds (distance) C4'-P energy: -110.423 bonds (distance) P-C4' energy: -113.931 flat angles C4'-P-C4' energy: -135.362 flat angles P-C4'-P energy: -90.743 tors. eta vs tors. theta energy: -171.271 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: 3 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2049.798975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.798975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.798975 (E_RNA) where: Base-Base interactions energy: -1460.416 where: short stacking energy: -600.914 Base-Backbone interact. energy: -3.248 local terms energy: -586.134931 where: bonds (distance) C4'-P energy: -103.592 bonds (distance) P-C4' energy: -121.194 flat angles C4'-P-C4' energy: -124.123 flat angles P-C4'-P energy: -71.492 tors. eta vs tors. theta energy: -165.734 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: 5, replica: 7 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1911.686579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.686579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.686579 (E_RNA) where: Base-Base interactions energy: -1345.023 where: short stacking energy: -586.073 Base-Backbone interact. energy: -0.121 local terms energy: -566.542941 where: bonds (distance) C4'-P energy: -101.286 bonds (distance) P-C4' energy: -110.953 flat angles C4'-P-C4' energy: -125.636 flat angles P-C4'-P energy: -74.273 tors. eta vs tors. theta energy: -154.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1813.408934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.408934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.408934 (E_RNA) where: Base-Base interactions energy: -1243.712 where: short stacking energy: -551.274 Base-Backbone interact. energy: -1.728 local terms energy: -567.968987 where: bonds (distance) C4'-P energy: -112.525 bonds (distance) P-C4' energy: -96.161 flat angles C4'-P-C4' energy: -121.809 flat angles P-C4'-P energy: -83.923 tors. eta vs tors. theta energy: -153.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1613.559629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.559629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.559629 (E_RNA) where: Base-Base interactions energy: -1080.020 where: short stacking energy: -457.591 Base-Backbone interact. energy: 5.474 local terms energy: -539.014519 where: bonds (distance) C4'-P energy: -110.936 bonds (distance) P-C4' energy: -109.693 flat angles C4'-P-C4' energy: -122.668 flat angles P-C4'-P energy: -70.550 tors. eta vs tors. theta energy: -125.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1157.020330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.020330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.020330 (E_RNA) where: Base-Base interactions energy: -716.432 where: short stacking energy: -336.840 Base-Backbone interact. energy: -1.057 local terms energy: -439.531511 where: bonds (distance) C4'-P energy: -102.006 bonds (distance) P-C4' energy: -104.595 flat angles C4'-P-C4' energy: -94.305 flat angles P-C4'-P energy: -75.042 tors. eta vs tors. theta energy: -63.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1170.909954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.909954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.909954 (E_RNA) where: Base-Base interactions energy: -738.891 where: short stacking energy: -330.475 Base-Backbone interact. energy: -2.755 local terms energy: -429.263801 where: bonds (distance) C4'-P energy: -99.443 bonds (distance) P-C4' energy: -84.180 flat angles C4'-P-C4' energy: -112.050 flat angles P-C4'-P energy: -68.647 tors. eta vs tors. theta energy: -64.944 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: 10, replica: 4 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -784.214985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.214985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.214985 (E_RNA) where: Base-Base interactions energy: -421.991 where: short stacking energy: -216.453 Base-Backbone interact. energy: -0.216 local terms energy: -362.008415 where: bonds (distance) C4'-P energy: -103.868 bonds (distance) P-C4' energy: -110.799 flat angles C4'-P-C4' energy: -85.411 flat angles P-C4'-P energy: -61.806 tors. eta vs tors. theta energy: -0.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2237.958740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.958740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.958740 (E_RNA) where: Base-Base interactions energy: -1566.509 where: short stacking energy: -665.021 Base-Backbone interact. energy: 3.216 local terms energy: -674.666051 where: bonds (distance) C4'-P energy: -105.189 bonds (distance) P-C4' energy: -124.307 flat angles C4'-P-C4' energy: -138.594 flat angles P-C4'-P energy: -106.659 tors. eta vs tors. theta energy: -199.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2240.990256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.990256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.990256 (E_RNA) where: Base-Base interactions energy: -1565.508 where: short stacking energy: -663.880 Base-Backbone interact. energy: -0.702 local terms energy: -674.780683 where: bonds (distance) C4'-P energy: -123.669 bonds (distance) P-C4' energy: -113.417 flat angles C4'-P-C4' energy: -138.968 flat angles P-C4'-P energy: -93.245 tors. eta vs tors. theta energy: -205.482 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: 5 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2106.986115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.986115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.986115 (E_RNA) where: Base-Base interactions energy: -1481.811 where: short stacking energy: -638.712 Base-Backbone interact. energy: -1.968 local terms energy: -623.207013 where: bonds (distance) C4'-P energy: -116.330 bonds (distance) P-C4' energy: -103.409 flat angles C4'-P-C4' energy: -142.889 flat angles P-C4'-P energy: -85.554 tors. eta vs tors. theta energy: -175.024 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: 4, replica: 3 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2031.870749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.870749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.870749 (E_RNA) where: Base-Base interactions energy: -1401.091 where: short stacking energy: -591.618 Base-Backbone interact. energy: -4.300 local terms energy: -626.479096 where: bonds (distance) C4'-P energy: -115.790 bonds (distance) P-C4' energy: -120.110 flat angles C4'-P-C4' energy: -139.323 flat angles P-C4'-P energy: -86.822 tors. eta vs tors. theta energy: -164.434 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: 7 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1854.123942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.123942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.123942 (E_RNA) where: Base-Base interactions energy: -1282.717 where: short stacking energy: -541.498 Base-Backbone interact. energy: 0.232 local terms energy: -571.638946 where: bonds (distance) C4'-P energy: -103.624 bonds (distance) P-C4' energy: -112.093 flat angles C4'-P-C4' energy: -105.915 flat angles P-C4'-P energy: -95.049 tors. eta vs tors. theta energy: -154.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1850.683081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.683081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.683081 (E_RNA) where: Base-Base interactions energy: -1275.543 where: short stacking energy: -567.816 Base-Backbone interact. energy: -0.222 local terms energy: -574.918006 where: bonds (distance) C4'-P energy: -107.342 bonds (distance) P-C4' energy: -97.399 flat angles C4'-P-C4' energy: -129.680 flat angles P-C4'-P energy: -80.797 tors. eta vs tors. theta energy: -159.700 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: 1 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1573.391209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.391209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.391209 (E_RNA) where: Base-Base interactions energy: -1033.669 where: short stacking energy: -442.616 Base-Backbone interact. energy: -1.940 local terms energy: -537.781616 where: bonds (distance) C4'-P energy: -120.001 bonds (distance) P-C4' energy: -113.818 flat angles C4'-P-C4' energy: -109.693 flat angles P-C4'-P energy: -78.053 tors. eta vs tors. theta energy: -116.217 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: 9 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1168.190416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.190416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.190416 (E_RNA) where: Base-Base interactions energy: -750.024 where: short stacking energy: -358.544 Base-Backbone interact. energy: 0.243 local terms energy: -418.409340 where: bonds (distance) C4'-P energy: -93.161 bonds (distance) P-C4' energy: -83.440 flat angles C4'-P-C4' energy: -114.724 flat angles P-C4'-P energy: -62.178 tors. eta vs tors. theta energy: -64.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1167.426378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.426378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.426378 (E_RNA) where: Base-Base interactions energy: -748.808 where: short stacking energy: -343.553 Base-Backbone interact. energy: -1.645 local terms energy: -416.973780 where: bonds (distance) C4'-P energy: -97.927 bonds (distance) P-C4' energy: -125.227 flat angles C4'-P-C4' energy: -84.939 flat angles P-C4'-P energy: -54.283 tors. eta vs tors. theta energy: -54.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -804.591500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.591500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.591500 (E_RNA) where: Base-Base interactions energy: -447.225 where: short stacking energy: -231.633 Base-Backbone interact. energy: -0.491 local terms energy: -356.876237 where: bonds (distance) C4'-P energy: -86.067 bonds (distance) P-C4' energy: -107.880 flat angles C4'-P-C4' energy: -90.229 flat angles P-C4'-P energy: -60.191 tors. eta vs tors. theta energy: -12.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2243.897861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.897861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.897861 (E_RNA) where: Base-Base interactions energy: -1545.072 where: short stacking energy: -637.941 Base-Backbone interact. energy: -3.401 local terms energy: -695.425234 where: bonds (distance) C4'-P energy: -128.376 bonds (distance) P-C4' energy: -117.361 flat angles C4'-P-C4' energy: -147.360 flat angles P-C4'-P energy: -108.758 tors. eta vs tors. theta energy: -193.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2217.283627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.283627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.283627 (E_RNA) where: Base-Base interactions energy: -1555.454 where: short stacking energy: -641.971 Base-Backbone interact. energy: -0.536 local terms energy: -661.293180 where: bonds (distance) C4'-P energy: -106.048 bonds (distance) P-C4' energy: -118.220 flat angles C4'-P-C4' energy: -142.556 flat angles P-C4'-P energy: -98.440 tors. eta vs tors. theta energy: -196.029 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: 5 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2070.029358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.029358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.029358 (E_RNA) where: Base-Base interactions energy: -1437.618 where: short stacking energy: -615.982 Base-Backbone interact. energy: -1.040 local terms energy: -631.371824 where: bonds (distance) C4'-P energy: -107.640 bonds (distance) P-C4' energy: -128.048 flat angles C4'-P-C4' energy: -135.945 flat angles P-C4'-P energy: -83.323 tors. eta vs tors. theta energy: -176.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2008.962392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.962392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.962392 (E_RNA) where: Base-Base interactions energy: -1389.335 where: short stacking energy: -590.466 Base-Backbone interact. energy: -3.392 local terms energy: -616.235458 where: bonds (distance) C4'-P energy: -107.161 bonds (distance) P-C4' energy: -131.665 flat angles C4'-P-C4' energy: -128.637 flat angles P-C4'-P energy: -83.507 tors. eta vs tors. theta energy: -165.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1906.099352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.099352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.099352 (E_RNA) where: Base-Base interactions energy: -1333.694 where: short stacking energy: -558.349 Base-Backbone interact. energy: -3.143 local terms energy: -569.262350 where: bonds (distance) C4'-P energy: -115.923 bonds (distance) P-C4' energy: -102.513 flat angles C4'-P-C4' energy: -113.805 flat angles P-C4'-P energy: -76.260 tors. eta vs tors. theta energy: -160.762 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: 7 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1845.432913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.432913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.432913 (E_RNA) where: Base-Base interactions energy: -1281.879 where: short stacking energy: -559.468 Base-Backbone interact. energy: -2.195 local terms energy: -561.359884 where: bonds (distance) C4'-P energy: -102.598 bonds (distance) P-C4' energy: -105.504 flat angles C4'-P-C4' energy: -121.874 flat angles P-C4'-P energy: -84.964 tors. eta vs tors. theta energy: -146.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1590.856368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.856368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.856368 (E_RNA) where: Base-Base interactions energy: -1063.292 where: short stacking energy: -489.397 Base-Backbone interact. energy: 1.668 local terms energy: -529.231802 where: bonds (distance) C4'-P energy: -103.389 bonds (distance) P-C4' energy: -101.022 flat angles C4'-P-C4' energy: -133.097 flat angles P-C4'-P energy: -75.034 tors. eta vs tors. theta energy: -116.691 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: 9 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1140.207341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.207341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.207341 (E_RNA) where: Base-Base interactions energy: -708.189 where: short stacking energy: -332.886 Base-Backbone interact. energy: -2.476 local terms energy: -429.542291 where: bonds (distance) C4'-P energy: -97.636 bonds (distance) P-C4' energy: -115.180 flat angles C4'-P-C4' energy: -82.894 flat angles P-C4'-P energy: -63.245 tors. eta vs tors. theta energy: -70.588 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: 9, replica: 8 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1167.684939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.684939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.684939 (E_RNA) where: Base-Base interactions energy: -754.002 where: short stacking energy: -337.992 Base-Backbone interact. energy: 5.205 local terms energy: -418.887816 where: bonds (distance) C4'-P energy: -86.745 bonds (distance) P-C4' energy: -90.047 flat angles C4'-P-C4' energy: -111.253 flat angles P-C4'-P energy: -76.220 tors. eta vs tors. theta energy: -54.623 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: 4 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -791.731271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.731271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.731271 (E_RNA) where: Base-Base interactions energy: -442.133 where: short stacking energy: -227.100 Base-Backbone interact. energy: 1.812 local terms energy: -351.410991 where: bonds (distance) C4'-P energy: -83.484 bonds (distance) P-C4' energy: -105.143 flat angles C4'-P-C4' energy: -87.076 flat angles P-C4'-P energy: -61.012 tors. eta vs tors. theta energy: -14.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2223.583766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.583766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.583766 (E_RNA) where: Base-Base interactions energy: -1549.156 where: short stacking energy: -664.758 Base-Backbone interact. energy: -0.614 local terms energy: -673.813792 where: bonds (distance) C4'-P energy: -113.093 bonds (distance) P-C4' energy: -113.188 flat angles C4'-P-C4' energy: -152.186 flat angles P-C4'-P energy: -99.310 tors. eta vs tors. theta energy: -196.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2226.329979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.329979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.329979 (E_RNA) where: Base-Base interactions energy: -1566.265 where: short stacking energy: -660.294 Base-Backbone interact. energy: -1.387 local terms energy: -658.678108 where: bonds (distance) C4'-P energy: -114.626 bonds (distance) P-C4' energy: -125.685 flat angles C4'-P-C4' energy: -129.997 flat angles P-C4'-P energy: -93.810 tors. eta vs tors. theta energy: -194.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2065.981807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.981807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.981807 (E_RNA) where: Base-Base interactions energy: -1438.735 where: short stacking energy: -598.965 Base-Backbone interact. energy: -2.312 local terms energy: -624.934380 where: bonds (distance) C4'-P energy: -122.853 bonds (distance) P-C4' energy: -102.735 flat angles C4'-P-C4' energy: -139.027 flat angles P-C4'-P energy: -83.659 tors. eta vs tors. theta energy: -176.660 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: 3 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1958.985115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.985115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.985115 (E_RNA) where: Base-Base interactions energy: -1364.299 where: short stacking energy: -573.502 Base-Backbone interact. energy: -0.494 local terms energy: -594.192027 where: bonds (distance) C4'-P energy: -107.800 bonds (distance) P-C4' energy: -121.333 flat angles C4'-P-C4' energy: -120.678 flat angles P-C4'-P energy: -76.354 tors. eta vs tors. theta energy: -168.026 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: 5, replica: 2 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1912.068922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.068922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.068922 (E_RNA) where: Base-Base interactions energy: -1315.851 where: short stacking energy: -576.944 Base-Backbone interact. energy: -1.781 local terms energy: -594.436658 where: bonds (distance) C4'-P energy: -102.640 bonds (distance) P-C4' energy: -112.799 flat angles C4'-P-C4' energy: -139.763 flat angles P-C4'-P energy: -80.925 tors. eta vs tors. theta energy: -158.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1769.076373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.076373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.076373 (E_RNA) where: Base-Base interactions energy: -1234.141 where: short stacking energy: -499.330 Base-Backbone interact. energy: -3.098 local terms energy: -531.837264 where: bonds (distance) C4'-P energy: -106.007 bonds (distance) P-C4' energy: -112.403 flat angles C4'-P-C4' energy: -117.488 flat angles P-C4'-P energy: -69.435 tors. eta vs tors. theta energy: -126.504 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: 1 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1528.849766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.849766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.849766 (E_RNA) where: Base-Base interactions energy: -1015.434 where: short stacking energy: -448.461 Base-Backbone interact. energy: -1.847 local terms energy: -511.569118 where: bonds (distance) C4'-P energy: -84.937 bonds (distance) P-C4' energy: -129.955 flat angles C4'-P-C4' energy: -105.905 flat angles P-C4'-P energy: -71.030 tors. eta vs tors. theta energy: -119.743 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: 8 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1296.255926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.255926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.255926 (E_RNA) where: Base-Base interactions energy: -877.720 where: short stacking energy: -416.819 Base-Backbone interact. energy: -0.873 local terms energy: -417.662728 where: bonds (distance) C4'-P energy: -89.661 bonds (distance) P-C4' energy: -111.617 flat angles C4'-P-C4' energy: -80.360 flat angles P-C4'-P energy: -65.402 tors. eta vs tors. theta energy: -70.623 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: 451 Temperature: 1.300000 Total energy: -1126.427727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.427727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.427727 (E_RNA) where: Base-Base interactions energy: -708.117 where: short stacking energy: -326.370 Base-Backbone interact. energy: -2.835 local terms energy: -415.475639 where: bonds (distance) C4'-P energy: -103.977 bonds (distance) P-C4' energy: -104.898 flat angles C4'-P-C4' energy: -91.529 flat angles P-C4'-P energy: -61.800 tors. eta vs tors. theta energy: -53.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -795.146688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.146688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.146688 (E_RNA) where: Base-Base interactions energy: -436.508 where: short stacking energy: -209.696 Base-Backbone interact. energy: 8.390 local terms energy: -367.028364 where: bonds (distance) C4'-P energy: -107.284 bonds (distance) P-C4' energy: -107.982 flat angles C4'-P-C4' energy: -68.678 flat angles P-C4'-P energy: -69.545 tors. eta vs tors. theta energy: -13.540 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: 1, replica: 6 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2222.132413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.132413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.132413 (E_RNA) where: Base-Base interactions energy: -1543.608 where: short stacking energy: -651.066 Base-Backbone interact. energy: -2.495 local terms energy: -676.029933 where: bonds (distance) C4'-P energy: -118.062 bonds (distance) P-C4' energy: -123.480 flat angles C4'-P-C4' energy: -141.625 flat angles P-C4'-P energy: -102.349 tors. eta vs tors. theta energy: -190.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2207.049419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.049419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.049419 (E_RNA) where: Base-Base interactions energy: -1537.841 where: short stacking energy: -655.778 Base-Backbone interact. energy: -0.515 local terms energy: -668.693757 where: bonds (distance) C4'-P energy: -114.985 bonds (distance) P-C4' energy: -118.267 flat angles C4'-P-C4' energy: -132.920 flat angles P-C4'-P energy: -101.740 tors. eta vs tors. theta energy: -200.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2089.559882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.559882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.559882 (E_RNA) where: Base-Base interactions energy: -1477.917 where: short stacking energy: -586.729 Base-Backbone interact. energy: -3.052 local terms energy: -608.590481 where: bonds (distance) C4'-P energy: -111.127 bonds (distance) P-C4' energy: -113.509 flat angles C4'-P-C4' energy: -128.432 flat angles P-C4'-P energy: -86.231 tors. eta vs tors. theta energy: -169.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2000.749730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.749730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.749730 (E_RNA) where: Base-Base interactions energy: -1409.002 where: short stacking energy: -572.355 Base-Backbone interact. energy: 0.811 local terms energy: -592.558650 where: bonds (distance) C4'-P energy: -113.289 bonds (distance) P-C4' energy: -96.416 flat angles C4'-P-C4' energy: -134.492 flat angles P-C4'-P energy: -97.468 tors. eta vs tors. theta energy: -150.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1921.458778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.458778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.458778 (E_RNA) where: Base-Base interactions energy: -1330.387 where: short stacking energy: -592.149 Base-Backbone interact. energy: 0.569 local terms energy: -591.641105 where: bonds (distance) C4'-P energy: -104.093 bonds (distance) P-C4' energy: -109.086 flat angles C4'-P-C4' energy: -134.265 flat angles P-C4'-P energy: -75.197 tors. eta vs tors. theta energy: -169.000 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: 6, replica: 7 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1798.664248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.664248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.664248 (E_RNA) where: Base-Base interactions energy: -1261.418 where: short stacking energy: -545.452 Base-Backbone interact. energy: -1.146 local terms energy: -536.099943 where: bonds (distance) C4'-P energy: -97.591 bonds (distance) P-C4' energy: -106.060 flat angles C4'-P-C4' energy: -131.814 flat angles P-C4'-P energy: -64.116 tors. eta vs tors. theta energy: -136.519 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: 1 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1539.744615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.744615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.744615 (E_RNA) where: Base-Base interactions energy: -1043.382 where: short stacking energy: -478.260 Base-Backbone interact. energy: 3.209 local terms energy: -499.571676 where: bonds (distance) C4'-P energy: -101.128 bonds (distance) P-C4' energy: -108.847 flat angles C4'-P-C4' energy: -115.507 flat angles P-C4'-P energy: -61.182 tors. eta vs tors. theta energy: -112.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1288.205995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.205995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.205995 (E_RNA) where: Base-Base interactions energy: -859.794 where: short stacking energy: -362.503 Base-Backbone interact. energy: 3.035 local terms energy: -431.447243 where: bonds (distance) C4'-P energy: -84.131 bonds (distance) P-C4' energy: -96.090 flat angles C4'-P-C4' energy: -114.792 flat angles P-C4'-P energy: -72.567 tors. eta vs tors. theta energy: -63.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1064.053743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.053743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.053743 (E_RNA) where: Base-Base interactions energy: -667.957 where: short stacking energy: -313.385 Base-Backbone interact. energy: -2.028 local terms energy: -394.069512 where: bonds (distance) C4'-P energy: -99.062 bonds (distance) P-C4' energy: -108.927 flat angles C4'-P-C4' energy: -83.438 flat angles P-C4'-P energy: -54.194 tors. eta vs tors. theta energy: -48.448 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: 4 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -801.613394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.613394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.613394 (E_RNA) where: Base-Base interactions energy: -432.564 where: short stacking energy: -250.414 Base-Backbone interact. energy: -0.241 local terms energy: -368.807951 where: bonds (distance) C4'-P energy: -83.670 bonds (distance) P-C4' energy: -101.786 flat angles C4'-P-C4' energy: -95.855 flat angles P-C4'-P energy: -62.185 tors. eta vs tors. theta energy: -25.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2232.823622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.823622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.823622 (E_RNA) where: Base-Base interactions energy: -1559.481 where: short stacking energy: -652.958 Base-Backbone interact. energy: -3.547 local terms energy: -669.795243 where: bonds (distance) C4'-P energy: -104.445 bonds (distance) P-C4' energy: -134.249 flat angles C4'-P-C4' energy: -142.772 flat angles P-C4'-P energy: -100.594 tors. eta vs tors. theta energy: -187.736 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: 2, replica: 10 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2205.866177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.866177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.866177 (E_RNA) where: Base-Base interactions energy: -1534.790 where: short stacking energy: -648.071 Base-Backbone interact. energy: -2.634 local terms energy: -668.442271 where: bonds (distance) C4'-P energy: -123.397 bonds (distance) P-C4' energy: -119.052 flat angles C4'-P-C4' energy: -138.057 flat angles P-C4'-P energy: -87.591 tors. eta vs tors. theta energy: -200.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2065.595055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.595055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.595055 (E_RNA) where: Base-Base interactions energy: -1439.798 where: short stacking energy: -578.353 Base-Backbone interact. energy: -3.510 local terms energy: -622.287495 where: bonds (distance) C4'-P energy: -118.231 bonds (distance) P-C4' energy: -117.198 flat angles C4'-P-C4' energy: -139.314 flat angles P-C4'-P energy: -80.109 tors. eta vs tors. theta energy: -167.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2028.352134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.352134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.352134 (E_RNA) where: Base-Base interactions energy: -1403.123 where: short stacking energy: -603.275 Base-Backbone interact. energy: -4.751 local terms energy: -620.477474 where: bonds (distance) C4'-P energy: -107.348 bonds (distance) P-C4' energy: -114.283 flat angles C4'-P-C4' energy: -141.494 flat angles P-C4'-P energy: -83.082 tors. eta vs tors. theta energy: -174.269 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: 3 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1927.854707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.854707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.854707 (E_RNA) where: Base-Base interactions energy: -1327.197 where: short stacking energy: -550.224 Base-Backbone interact. energy: 1.893 local terms energy: -602.550588 where: bonds (distance) C4'-P energy: -119.793 bonds (distance) P-C4' energy: -103.821 flat angles C4'-P-C4' energy: -125.240 flat angles P-C4'-P energy: -91.712 tors. eta vs tors. theta energy: -161.984 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: 7 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1827.343248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.343248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.343248 (E_RNA) where: Base-Base interactions energy: -1311.337 where: short stacking energy: -557.181 Base-Backbone interact. energy: 0.068 local terms energy: -516.074607 where: bonds (distance) C4'-P energy: -80.949 bonds (distance) P-C4' energy: -92.904 flat angles C4'-P-C4' energy: -119.328 flat angles P-C4'-P energy: -80.516 tors. eta vs tors. theta energy: -142.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1528.532346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.532346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.532346 (E_RNA) where: Base-Base interactions energy: -1027.778 where: short stacking energy: -453.097 Base-Backbone interact. energy: -1.120 local terms energy: -499.633943 where: bonds (distance) C4'-P energy: -108.206 bonds (distance) P-C4' energy: -103.565 flat angles C4'-P-C4' energy: -110.438 flat angles P-C4'-P energy: -72.552 tors. eta vs tors. theta energy: -104.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1384.247667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.247667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.247667 (E_RNA) where: Base-Base interactions energy: -909.805 where: short stacking energy: -425.234 Base-Backbone interact. energy: -0.834 local terms energy: -473.608825 where: bonds (distance) C4'-P energy: -94.833 bonds (distance) P-C4' energy: -96.164 flat angles C4'-P-C4' energy: -110.666 flat angles P-C4'-P energy: -78.576 tors. eta vs tors. theta energy: -93.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1125.027941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.027941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.027941 (E_RNA) where: Base-Base interactions energy: -675.362 where: short stacking energy: -336.281 Base-Backbone interact. energy: -0.124 local terms energy: -449.541934 where: bonds (distance) C4'-P energy: -123.438 bonds (distance) P-C4' energy: -91.757 flat angles C4'-P-C4' energy: -102.681 flat angles P-C4'-P energy: -69.517 tors. eta vs tors. theta energy: -62.149 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: 4 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -805.682764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.682764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.682764 (E_RNA) where: Base-Base interactions energy: -454.314 where: short stacking energy: -245.009 Base-Backbone interact. energy: 7.716 local terms energy: -359.084719 where: bonds (distance) C4'-P energy: -76.248 bonds (distance) P-C4' energy: -100.017 flat angles C4'-P-C4' energy: -89.482 flat angles P-C4'-P energy: -59.071 tors. eta vs tors. theta energy: -34.267 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: 6 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2227.832424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.832424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.832424 (E_RNA) where: Base-Base interactions energy: -1529.496 where: short stacking energy: -659.936 Base-Backbone interact. energy: -3.250 local terms energy: -695.085818 where: bonds (distance) C4'-P energy: -129.269 bonds (distance) P-C4' energy: -132.625 flat angles C4'-P-C4' energy: -139.193 flat angles P-C4'-P energy: -101.807 tors. eta vs tors. theta energy: -192.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2220.004820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.004820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.004820 (E_RNA) where: Base-Base interactions energy: -1554.748 where: short stacking energy: -659.640 Base-Backbone interact. energy: -2.469 local terms energy: -662.788157 where: bonds (distance) C4'-P energy: -118.059 bonds (distance) P-C4' energy: -114.993 flat angles C4'-P-C4' energy: -148.780 flat angles P-C4'-P energy: -92.532 tors. eta vs tors. theta energy: -188.424 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: 3, replica: 2 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2051.090276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.090276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.090276 (E_RNA) where: Base-Base interactions energy: -1425.807 where: short stacking energy: -619.837 Base-Backbone interact. energy: -3.402 local terms energy: -621.881615 where: bonds (distance) C4'-P energy: -112.468 bonds (distance) P-C4' energy: -116.391 flat angles C4'-P-C4' energy: -133.185 flat angles P-C4'-P energy: -81.629 tors. eta vs tors. theta energy: -178.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2016.276127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.276127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.276127 (E_RNA) where: Base-Base interactions energy: -1427.629 where: short stacking energy: -592.566 Base-Backbone interact. energy: 1.216 local terms energy: -589.863428 where: bonds (distance) C4'-P energy: -116.312 bonds (distance) P-C4' energy: -104.471 flat angles C4'-P-C4' energy: -123.604 flat angles P-C4'-P energy: -84.288 tors. eta vs tors. theta energy: -161.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1962.795467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.795467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.795467 (E_RNA) where: Base-Base interactions energy: -1356.208 where: short stacking energy: -567.253 Base-Backbone interact. energy: -0.339 local terms energy: -606.248001 where: bonds (distance) C4'-P energy: -115.626 bonds (distance) P-C4' energy: -110.768 flat angles C4'-P-C4' energy: -135.835 flat angles P-C4'-P energy: -86.111 tors. eta vs tors. theta energy: -157.909 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: 6, replica: 7 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1800.632324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.632324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.632324 (E_RNA) where: Base-Base interactions energy: -1245.115 where: short stacking energy: -544.204 Base-Backbone interact. energy: -1.572 local terms energy: -553.946022 where: bonds (distance) C4'-P energy: -106.137 bonds (distance) P-C4' energy: -102.940 flat angles C4'-P-C4' energy: -115.497 flat angles P-C4'-P energy: -71.000 tors. eta vs tors. theta energy: -158.372 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: 1 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1506.315212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.315212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.315212 (E_RNA) where: Base-Base interactions energy: -999.803 where: short stacking energy: -449.864 Base-Backbone interact. energy: -0.484 local terms energy: -506.027989 where: bonds (distance) C4'-P energy: -89.553 bonds (distance) P-C4' energy: -103.043 flat angles C4'-P-C4' energy: -120.118 flat angles P-C4'-P energy: -86.325 tors. eta vs tors. theta energy: -106.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1274.325208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.325208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.325208 (E_RNA) where: Base-Base interactions energy: -795.476 where: short stacking energy: -367.337 Base-Backbone interact. energy: -0.426 local terms energy: -478.423334 where: bonds (distance) C4'-P energy: -108.209 bonds (distance) P-C4' energy: -107.910 flat angles C4'-P-C4' energy: -104.801 flat angles P-C4'-P energy: -76.483 tors. eta vs tors. theta energy: -81.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1079.523848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.523848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.523848 (E_RNA) where: Base-Base interactions energy: -658.687 where: short stacking energy: -321.253 Base-Backbone interact. energy: 5.542 local terms energy: -426.379195 where: bonds (distance) C4'-P energy: -96.021 bonds (distance) P-C4' energy: -99.369 flat angles C4'-P-C4' energy: -112.599 flat angles P-C4'-P energy: -47.009 tors. eta vs tors. theta energy: -71.381 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: 10, replica: 4 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -790.870344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.870344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.870344 (E_RNA) where: Base-Base interactions energy: -438.188 where: short stacking energy: -222.093 Base-Backbone interact. energy: 1.967 local terms energy: -354.649104 where: bonds (distance) C4'-P energy: -95.875 bonds (distance) P-C4' energy: -100.975 flat angles C4'-P-C4' energy: -67.608 flat angles P-C4'-P energy: -67.638 tors. eta vs tors. theta energy: -22.553 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: 6 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2217.521651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.521651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.521651 (E_RNA) where: Base-Base interactions energy: -1531.306 where: short stacking energy: -665.115 Base-Backbone interact. energy: -1.440 local terms energy: -684.775256 where: bonds (distance) C4'-P energy: -121.219 bonds (distance) P-C4' energy: -129.015 flat angles C4'-P-C4' energy: -143.818 flat angles P-C4'-P energy: -99.237 tors. eta vs tors. theta energy: -191.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2258.573523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.573523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.573523 (E_RNA) where: Base-Base interactions energy: -1580.562 where: short stacking energy: -655.860 Base-Backbone interact. energy: 0.563 local terms energy: -678.574433 where: bonds (distance) C4'-P energy: -109.824 bonds (distance) P-C4' energy: -136.012 flat angles C4'-P-C4' energy: -137.580 flat angles P-C4'-P energy: -95.141 tors. eta vs tors. theta energy: -200.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2075.580887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.580887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.580887 (E_RNA) where: Base-Base interactions energy: -1450.063 where: short stacking energy: -624.212 Base-Backbone interact. energy: -0.035 local terms energy: -625.482501 where: bonds (distance) C4'-P energy: -122.988 bonds (distance) P-C4' energy: -122.276 flat angles C4'-P-C4' energy: -139.818 flat angles P-C4'-P energy: -67.314 tors. eta vs tors. theta energy: -173.087 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: 5 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2013.168621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.168621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.168621 (E_RNA) where: Base-Base interactions energy: -1423.705 where: short stacking energy: -593.567 Base-Backbone interact. energy: -1.815 local terms energy: -587.649016 where: bonds (distance) C4'-P energy: -110.829 bonds (distance) P-C4' energy: -114.386 flat angles C4'-P-C4' energy: -124.206 flat angles P-C4'-P energy: -83.455 tors. eta vs tors. theta energy: -154.773 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: 5, replica: 3 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1955.472539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.472539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.472539 (E_RNA) where: Base-Base interactions energy: -1360.143 where: short stacking energy: -566.727 Base-Backbone interact. energy: -2.040 local terms energy: -593.289337 where: bonds (distance) C4'-P energy: -106.324 bonds (distance) P-C4' energy: -113.834 flat angles C4'-P-C4' energy: -134.585 flat angles P-C4'-P energy: -81.661 tors. eta vs tors. theta energy: -156.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1822.557909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.557909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.557909 (E_RNA) where: Base-Base interactions energy: -1267.640 where: short stacking energy: -535.853 Base-Backbone interact. energy: -0.755 local terms energy: -554.162925 where: bonds (distance) C4'-P energy: -107.549 bonds (distance) P-C4' energy: -107.112 flat angles C4'-P-C4' energy: -122.813 flat angles P-C4'-P energy: -70.408 tors. eta vs tors. theta energy: -146.281 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: 1 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1553.899496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.899496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.899496 (E_RNA) where: Base-Base interactions energy: -1053.789 where: short stacking energy: -466.384 Base-Backbone interact. energy: -2.658 local terms energy: -497.452539 where: bonds (distance) C4'-P energy: -101.753 bonds (distance) P-C4' energy: -109.117 flat angles C4'-P-C4' energy: -112.789 flat angles P-C4'-P energy: -57.339 tors. eta vs tors. theta energy: -116.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1285.604765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.604765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.604765 (E_RNA) where: Base-Base interactions energy: -832.328 where: short stacking energy: -369.598 Base-Backbone interact. energy: 2.300 local terms energy: -455.576052 where: bonds (distance) C4'-P energy: -97.039 bonds (distance) P-C4' energy: -109.275 flat angles C4'-P-C4' energy: -99.799 flat angles P-C4'-P energy: -72.046 tors. eta vs tors. theta energy: -77.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1084.941811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.941811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.941811 (E_RNA) where: Base-Base interactions energy: -669.170 where: short stacking energy: -324.380 Base-Backbone interact. energy: -1.917 local terms energy: -413.854598 where: bonds (distance) C4'-P energy: -110.719 bonds (distance) P-C4' energy: -106.360 flat angles C4'-P-C4' energy: -81.584 flat angles P-C4'-P energy: -59.425 tors. eta vs tors. theta energy: -55.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -892.166638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.166638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.166638 (E_RNA) where: Base-Base interactions energy: -536.345 where: short stacking energy: -265.108 Base-Backbone interact. energy: 3.836 local terms energy: -359.656793 where: bonds (distance) C4'-P energy: -93.045 bonds (distance) P-C4' energy: -112.179 flat angles C4'-P-C4' energy: -82.769 flat angles P-C4'-P energy: -50.881 tors. eta vs tors. theta energy: -20.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2226.846363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.846363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.846363 (E_RNA) where: Base-Base interactions energy: -1549.480 where: short stacking energy: -668.981 Base-Backbone interact. energy: -2.608 local terms energy: -674.758685 where: bonds (distance) C4'-P energy: -128.272 bonds (distance) P-C4' energy: -117.684 flat angles C4'-P-C4' energy: -142.842 flat angles P-C4'-P energy: -98.808 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: 2, replica: 10 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2210.180656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.180656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.180656 (E_RNA) where: Base-Base interactions energy: -1562.681 where: short stacking energy: -644.281 Base-Backbone interact. energy: -0.380 local terms energy: -647.119831 where: bonds (distance) C4'-P energy: -102.864 bonds (distance) P-C4' energy: -116.009 flat angles C4'-P-C4' energy: -136.761 flat angles P-C4'-P energy: -106.249 tors. eta vs tors. theta energy: -185.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2045.015803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.015803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.015803 (E_RNA) where: Base-Base interactions energy: -1428.807 where: short stacking energy: -587.213 Base-Backbone interact. energy: -3.983 local terms energy: -612.225913 where: bonds (distance) C4'-P energy: -111.747 bonds (distance) P-C4' energy: -120.077 flat angles C4'-P-C4' energy: -129.766 flat angles P-C4'-P energy: -89.125 tors. eta vs tors. theta energy: -161.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2032.980711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.980711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.980711 (E_RNA) where: Base-Base interactions energy: -1420.509 where: short stacking energy: -603.983 Base-Backbone interact. energy: -1.651 local terms energy: -610.821254 where: bonds (distance) C4'-P energy: -104.627 bonds (distance) P-C4' energy: -123.012 flat angles C4'-P-C4' energy: -128.142 flat angles P-C4'-P energy: -78.880 tors. eta vs tors. theta energy: -176.160 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: 3 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1926.377080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.377080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.377080 (E_RNA) where: Base-Base interactions energy: -1360.323 where: short stacking energy: -575.519 Base-Backbone interact. energy: 6.254 local terms energy: -572.308242 where: bonds (distance) C4'-P energy: -106.246 bonds (distance) P-C4' energy: -102.031 flat angles C4'-P-C4' energy: -119.020 flat angles P-C4'-P energy: -89.999 tors. eta vs tors. theta energy: -155.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1869.773042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.773042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.773042 (E_RNA) where: Base-Base interactions energy: -1271.787 where: short stacking energy: -568.316 Base-Backbone interact. energy: -2.695 local terms energy: -595.291205 where: bonds (distance) C4'-P energy: -100.816 bonds (distance) P-C4' energy: -107.220 flat angles C4'-P-C4' energy: -131.645 flat angles P-C4'-P energy: -90.785 tors. eta vs tors. theta energy: -164.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1555.351391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.351391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.351391 (E_RNA) where: Base-Base interactions energy: -1031.378 where: short stacking energy: -460.788 Base-Backbone interact. energy: -2.427 local terms energy: -521.546256 where: bonds (distance) C4'-P energy: -97.102 bonds (distance) P-C4' energy: -96.588 flat angles C4'-P-C4' energy: -125.132 flat angles P-C4'-P energy: -86.145 tors. eta vs tors. theta energy: -116.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1248.117357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.117357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.117357 (E_RNA) where: Base-Base interactions energy: -802.957 where: short stacking energy: -348.677 Base-Backbone interact. energy: -3.758 local terms energy: -441.402269 where: bonds (distance) C4'-P energy: -88.467 bonds (distance) P-C4' energy: -109.776 flat angles C4'-P-C4' energy: -97.993 flat angles P-C4'-P energy: -61.990 tors. eta vs tors. theta energy: -83.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1136.698047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.698047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.698047 (E_RNA) where: Base-Base interactions energy: -741.306 where: short stacking energy: -325.147 Base-Backbone interact. energy: 0.164 local terms energy: -395.556457 where: bonds (distance) C4'-P energy: -87.493 bonds (distance) P-C4' energy: -86.359 flat angles C4'-P-C4' energy: -93.643 flat angles P-C4'-P energy: -67.264 tors. eta vs tors. theta energy: -60.798 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: 4 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -826.639095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.639095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.639095 (E_RNA) where: Base-Base interactions energy: -466.740 where: short stacking energy: -247.156 Base-Backbone interact. energy: -0.596 local terms energy: -359.303313 where: bonds (distance) C4'-P energy: -96.812 bonds (distance) P-C4' energy: -91.738 flat angles C4'-P-C4' energy: -97.156 flat angles P-C4'-P energy: -56.413 tors. eta vs tors. theta energy: -17.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2218.741943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.741943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.741943 (E_RNA) where: Base-Base interactions energy: -1549.095 where: short stacking energy: -662.485 Base-Backbone interact. energy: -3.803 local terms energy: -665.843994 where: bonds (distance) C4'-P energy: -127.423 bonds (distance) P-C4' energy: -121.973 flat angles C4'-P-C4' energy: -136.952 flat angles P-C4'-P energy: -95.499 tors. eta vs tors. theta energy: -183.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2199.826181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.826181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.826181 (E_RNA) where: Base-Base interactions energy: -1582.126 where: short stacking energy: -644.817 Base-Backbone interact. energy: 3.815 local terms energy: -621.515497 where: bonds (distance) C4'-P energy: -112.443 bonds (distance) P-C4' energy: -102.544 flat angles C4'-P-C4' energy: -138.723 flat angles P-C4'-P energy: -75.365 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: 5 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2091.341244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.341244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.341244 (E_RNA) where: Base-Base interactions energy: -1467.658 where: short stacking energy: -598.268 Base-Backbone interact. energy: -1.591 local terms energy: -622.091388 where: bonds (distance) C4'-P energy: -112.952 bonds (distance) P-C4' energy: -111.821 flat angles C4'-P-C4' energy: -132.455 flat angles P-C4'-P energy: -89.574 tors. eta vs tors. theta energy: -175.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2004.255171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.255171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.255171 (E_RNA) where: Base-Base interactions energy: -1400.028 where: short stacking energy: -590.238 Base-Backbone interact. energy: -1.263 local terms energy: -602.964312 where: bonds (distance) C4'-P energy: -110.716 bonds (distance) P-C4' energy: -121.299 flat angles C4'-P-C4' energy: -129.344 flat angles P-C4'-P energy: -80.620 tors. eta vs tors. theta energy: -160.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1997.479779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.479779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.479779 (E_RNA) where: Base-Base interactions energy: -1394.271 where: short stacking energy: -598.908 Base-Backbone interact. energy: -1.651 local terms energy: -601.558211 where: bonds (distance) C4'-P energy: -112.385 bonds (distance) P-C4' energy: -98.592 flat angles C4'-P-C4' energy: -130.168 flat angles P-C4'-P energy: -90.055 tors. eta vs tors. theta energy: -170.357 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: 7 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1845.492557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.492557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.492557 (E_RNA) where: Base-Base interactions energy: -1298.089 where: short stacking energy: -566.268 Base-Backbone interact. energy: -1.056 local terms energy: -546.347693 where: bonds (distance) C4'-P energy: -113.583 bonds (distance) P-C4' energy: -110.716 flat angles C4'-P-C4' energy: -117.105 flat angles P-C4'-P energy: -58.205 tors. eta vs tors. theta energy: -146.739 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: 7, replica: 1 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1483.898951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.898951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.898951 (E_RNA) where: Base-Base interactions energy: -1002.883 where: short stacking energy: -437.794 Base-Backbone interact. energy: 1.228 local terms energy: -482.243606 where: bonds (distance) C4'-P energy: -94.483 bonds (distance) P-C4' energy: -103.826 flat angles C4'-P-C4' energy: -116.026 flat angles P-C4'-P energy: -71.561 tors. eta vs tors. theta energy: -96.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1285.490553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.490553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.490553 (E_RNA) where: Base-Base interactions energy: -803.301 where: short stacking energy: -384.068 Base-Backbone interact. energy: -4.955 local terms energy: -477.234431 where: bonds (distance) C4'-P energy: -90.826 bonds (distance) P-C4' energy: -124.142 flat angles C4'-P-C4' energy: -101.857 flat angles P-C4'-P energy: -74.471 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: 9, replica: 9 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1152.238782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.238782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.238782 (E_RNA) where: Base-Base interactions energy: -752.968 where: short stacking energy: -362.137 Base-Backbone interact. energy: -0.864 local terms energy: -398.406955 where: bonds (distance) C4'-P energy: -106.119 bonds (distance) P-C4' energy: -107.957 flat angles C4'-P-C4' energy: -77.856 flat angles P-C4'-P energy: -38.059 tors. eta vs tors. theta energy: -68.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -809.471539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.471539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.471539 (E_RNA) where: Base-Base interactions energy: -454.167 where: short stacking energy: -226.015 Base-Backbone interact. energy: 3.974 local terms energy: -359.278064 where: bonds (distance) C4'-P energy: -97.812 bonds (distance) P-C4' energy: -88.985 flat angles C4'-P-C4' energy: -90.857 flat angles P-C4'-P energy: -66.667 tors. eta vs tors. theta energy: -14.957 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: 6 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2242.069996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.069996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.069996 (E_RNA) where: Base-Base interactions energy: -1579.220 where: short stacking energy: -683.853 Base-Backbone interact. energy: -2.224 local terms energy: -660.626518 where: bonds (distance) C4'-P energy: -119.378 bonds (distance) P-C4' energy: -121.156 flat angles C4'-P-C4' energy: -129.297 flat angles P-C4'-P energy: -96.739 tors. eta vs tors. theta energy: -194.057 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: 10 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2222.707397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.707397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.707397 (E_RNA) where: Base-Base interactions energy: -1569.189 where: short stacking energy: -654.151 Base-Backbone interact. energy: -1.002 local terms energy: -652.516974 where: bonds (distance) C4'-P energy: -109.050 bonds (distance) P-C4' energy: -121.201 flat angles C4'-P-C4' energy: -123.606 flat angles P-C4'-P energy: -100.192 tors. eta vs tors. theta energy: -198.467 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: 5 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2055.495697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.495697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.495697 (E_RNA) where: Base-Base interactions energy: -1444.093 where: short stacking energy: -590.202 Base-Backbone interact. energy: -2.474 local terms energy: -608.928880 where: bonds (distance) C4'-P energy: -104.384 bonds (distance) P-C4' energy: -127.327 flat angles C4'-P-C4' energy: -135.881 flat angles P-C4'-P energy: -67.900 tors. eta vs tors. theta energy: -173.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1980.129251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.129251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.129251 (E_RNA) where: Base-Base interactions energy: -1407.623 where: short stacking energy: -569.192 Base-Backbone interact. energy: -4.410 local terms energy: -568.096935 where: bonds (distance) C4'-P energy: -106.168 bonds (distance) P-C4' energy: -110.622 flat angles C4'-P-C4' energy: -127.710 flat angles P-C4'-P energy: -70.156 tors. eta vs tors. theta energy: -153.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1975.387034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.387034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.387034 (E_RNA) where: Base-Base interactions energy: -1362.877 where: short stacking energy: -594.138 Base-Backbone interact. energy: 0.395 local terms energy: -612.904581 where: bonds (distance) C4'-P energy: -111.691 bonds (distance) P-C4' energy: -111.812 flat angles C4'-P-C4' energy: -126.443 flat angles P-C4'-P energy: -78.050 tors. eta vs tors. theta energy: -184.909 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: 6, replica: 7 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1879.522616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.522616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.522616 (E_RNA) where: Base-Base interactions energy: -1339.171 where: short stacking energy: -574.131 Base-Backbone interact. energy: -1.558 local terms energy: -538.793394 where: bonds (distance) C4'-P energy: -89.213 bonds (distance) P-C4' energy: -97.346 flat angles C4'-P-C4' energy: -132.851 flat angles P-C4'-P energy: -64.278 tors. eta vs tors. theta energy: -155.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1552.105244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.105244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.105244 (E_RNA) where: Base-Base interactions energy: -1041.245 where: short stacking energy: -452.580 Base-Backbone interact. energy: 0.242 local terms energy: -511.102456 where: bonds (distance) C4'-P energy: -92.131 bonds (distance) P-C4' energy: -114.073 flat angles C4'-P-C4' energy: -119.086 flat angles P-C4'-P energy: -75.274 tors. eta vs tors. theta energy: -110.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1287.617864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.617864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.617864 (E_RNA) where: Base-Base interactions energy: -848.623 where: short stacking energy: -397.466 Base-Backbone interact. energy: 1.273 local terms energy: -440.268606 where: bonds (distance) C4'-P energy: -89.336 bonds (distance) P-C4' energy: -102.858 flat angles C4'-P-C4' energy: -110.426 flat angles P-C4'-P energy: -52.831 tors. eta vs tors. theta energy: -84.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1084.694826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.694826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.694826 (E_RNA) where: Base-Base interactions energy: -664.305 where: short stacking energy: -320.293 Base-Backbone interact. energy: -0.512 local terms energy: -419.878085 where: bonds (distance) C4'-P energy: -86.924 bonds (distance) P-C4' energy: -104.802 flat angles C4'-P-C4' energy: -109.494 flat angles P-C4'-P energy: -68.741 tors. eta vs tors. theta energy: -49.918 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: 4 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -784.542998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.542998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.542998 (E_RNA) where: Base-Base interactions energy: -441.164 where: short stacking energy: -207.735 Base-Backbone interact. energy: 5.121 local terms energy: -348.499826 where: bonds (distance) C4'-P energy: -95.039 bonds (distance) P-C4' energy: -104.121 flat angles C4'-P-C4' energy: -85.569 flat angles P-C4'-P energy: -45.429 tors. eta vs tors. theta energy: -18.342 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: 6 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2228.271901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.271901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.271901 (E_RNA) where: Base-Base interactions energy: -1575.256 where: short stacking energy: -668.223 Base-Backbone interact. energy: -0.634 local terms energy: -652.381552 where: bonds (distance) C4'-P energy: -111.185 bonds (distance) P-C4' energy: -116.090 flat angles C4'-P-C4' energy: -138.273 flat angles P-C4'-P energy: -100.969 tors. eta vs tors. theta energy: -185.864 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: 10 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2217.981212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.981212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.981212 (E_RNA) where: Base-Base interactions energy: -1556.408 where: short stacking energy: -655.778 Base-Backbone interact. energy: -2.759 local terms energy: -658.814535 where: bonds (distance) C4'-P energy: -115.533 bonds (distance) P-C4' energy: -105.834 flat angles C4'-P-C4' energy: -146.797 flat angles P-C4'-P energy: -91.978 tors. eta vs tors. theta energy: -198.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2065.581584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.581584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.581584 (E_RNA) where: Base-Base interactions energy: -1454.996 where: short stacking energy: -580.273 Base-Backbone interact. energy: -3.045 local terms energy: -607.540972 where: bonds (distance) C4'-P energy: -111.176 bonds (distance) P-C4' energy: -134.273 flat angles C4'-P-C4' energy: -121.879 flat angles P-C4'-P energy: -78.430 tors. eta vs tors. theta energy: -161.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2015.416322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.416322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.416322 (E_RNA) where: Base-Base interactions energy: -1429.189 where: short stacking energy: -611.138 Base-Backbone interact. energy: -2.081 local terms energy: -584.146384 where: bonds (distance) C4'-P energy: -109.499 bonds (distance) P-C4' energy: -104.741 flat angles C4'-P-C4' energy: -127.211 flat angles P-C4'-P energy: -70.755 tors. eta vs tors. theta energy: -171.939 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: 3 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1904.329130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.329130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.329130 (E_RNA) where: Base-Base interactions energy: -1336.022 where: short stacking energy: -545.948 Base-Backbone interact. energy: -3.826 local terms energy: -564.481032 where: bonds (distance) C4'-P energy: -115.968 bonds (distance) P-C4' energy: -104.937 flat angles C4'-P-C4' energy: -121.717 flat angles P-C4'-P energy: -73.717 tors. eta vs tors. theta energy: -148.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1851.486564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.486564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.486564 (E_RNA) where: Base-Base interactions energy: -1294.243 where: short stacking energy: -549.577 Base-Backbone interact. energy: -3.118 local terms energy: -554.125859 where: bonds (distance) C4'-P energy: -85.747 bonds (distance) P-C4' energy: -103.419 flat angles C4'-P-C4' energy: -137.379 flat angles P-C4'-P energy: -85.306 tors. eta vs tors. theta energy: -142.274 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: 1 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1577.412897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.412897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.412897 (E_RNA) where: Base-Base interactions energy: -1052.275 where: short stacking energy: -489.752 Base-Backbone interact. energy: -0.664 local terms energy: -524.474162 where: bonds (distance) C4'-P energy: -106.869 bonds (distance) P-C4' energy: -100.422 flat angles C4'-P-C4' energy: -128.611 flat angles P-C4'-P energy: -70.699 tors. eta vs tors. theta energy: -117.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1259.966629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.966629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.966629 (E_RNA) where: Base-Base interactions energy: -828.956 where: short stacking energy: -372.069 Base-Backbone interact. energy: -3.917 local terms energy: -427.093026 where: bonds (distance) C4'-P energy: -93.670 bonds (distance) P-C4' energy: -97.660 flat angles C4'-P-C4' energy: -96.876 flat angles P-C4'-P energy: -67.940 tors. eta vs tors. theta energy: -70.947 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: 459 Temperature: 1.300000 Total energy: -1123.501218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.501218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.501218 (E_RNA) where: Base-Base interactions energy: -702.085 where: short stacking energy: -333.405 Base-Backbone interact. energy: -2.559 local terms energy: -418.857462 where: bonds (distance) C4'-P energy: -96.596 bonds (distance) P-C4' energy: -121.900 flat angles C4'-P-C4' energy: -88.996 flat angles P-C4'-P energy: -51.142 tors. eta vs tors. theta energy: -60.223 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: 4 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -807.232306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.232306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.232306 (E_RNA) where: Base-Base interactions energy: -461.204 where: short stacking energy: -240.666 Base-Backbone interact. energy: 1.222 local terms energy: -347.251102 where: bonds (distance) C4'-P energy: -97.502 bonds (distance) P-C4' energy: -85.946 flat angles C4'-P-C4' energy: -89.273 flat angles P-C4'-P energy: -56.946 tors. eta vs tors. theta energy: -17.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2240.874957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.874957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.874957 (E_RNA) where: Base-Base interactions energy: -1561.431 where: short stacking energy: -643.152 Base-Backbone interact. energy: -1.925 local terms energy: -677.519560 where: bonds (distance) C4'-P energy: -130.941 bonds (distance) P-C4' energy: -118.276 flat angles C4'-P-C4' energy: -146.843 flat angles P-C4'-P energy: -90.854 tors. eta vs tors. theta energy: -190.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2173.748754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.748754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.748754 (E_RNA) where: Base-Base interactions energy: -1531.525 where: short stacking energy: -636.812 Base-Backbone interact. energy: -1.639 local terms energy: -640.584614 where: bonds (distance) C4'-P energy: -118.850 bonds (distance) P-C4' energy: -121.518 flat angles C4'-P-C4' energy: -127.584 flat angles P-C4'-P energy: -86.416 tors. eta vs tors. theta energy: -186.216 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: 3, replica: 5 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2092.423327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.423327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.423327 (E_RNA) where: Base-Base interactions energy: -1456.959 where: short stacking energy: -600.327 Base-Backbone interact. energy: -3.234 local terms energy: -632.231182 where: bonds (distance) C4'-P energy: -119.522 bonds (distance) P-C4' energy: -115.896 flat angles C4'-P-C4' energy: -143.512 flat angles P-C4'-P energy: -82.879 tors. eta vs tors. theta energy: -170.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2002.986728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.986728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.986728 (E_RNA) where: Base-Base interactions energy: -1406.016 where: short stacking energy: -609.113 Base-Backbone interact. energy: -2.342 local terms energy: -594.628638 where: bonds (distance) C4'-P energy: -105.496 bonds (distance) P-C4' energy: -104.355 flat angles C4'-P-C4' energy: -130.051 flat angles P-C4'-P energy: -82.709 tors. eta vs tors. theta energy: -172.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1902.931622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.931622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.931622 (E_RNA) where: Base-Base interactions energy: -1303.530 where: short stacking energy: -564.498 Base-Backbone interact. energy: -3.044 local terms energy: -596.358231 where: bonds (distance) C4'-P energy: -110.813 bonds (distance) P-C4' energy: -122.871 flat angles C4'-P-C4' energy: -128.741 flat angles P-C4'-P energy: -78.382 tors. eta vs tors. theta energy: -155.551 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: 460 Temperature: 1.150000 Total energy: -1857.383512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.383512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.383512 (E_RNA) where: Base-Base interactions energy: -1317.119 where: short stacking energy: -533.249 Base-Backbone interact. energy: -3.248 local terms energy: -537.016125 where: bonds (distance) C4'-P energy: -95.459 bonds (distance) P-C4' energy: -100.288 flat angles C4'-P-C4' energy: -114.894 flat angles P-C4'-P energy: -78.875 tors. eta vs tors. theta energy: -147.501 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: 7, replica: 1 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1538.754114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.754114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.754114 (E_RNA) where: Base-Base interactions energy: -1033.354 where: short stacking energy: -465.020 Base-Backbone interact. energy: -1.045 local terms energy: -504.355374 where: bonds (distance) C4'-P energy: -98.824 bonds (distance) P-C4' energy: -99.112 flat angles C4'-P-C4' energy: -120.896 flat angles P-C4'-P energy: -69.335 tors. eta vs tors. theta energy: -116.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1262.417310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.417310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.417310 (E_RNA) where: Base-Base interactions energy: -810.551 where: short stacking energy: -376.315 Base-Backbone interact. energy: -4.632 local terms energy: -447.234240 where: bonds (distance) C4'-P energy: -93.550 bonds (distance) P-C4' energy: -104.868 flat angles C4'-P-C4' energy: -103.749 flat angles P-C4'-P energy: -55.692 tors. eta vs tors. theta energy: -89.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1126.846496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.846496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.846496 (E_RNA) where: Base-Base interactions energy: -699.301 where: short stacking energy: -335.316 Base-Backbone interact. energy: -1.388 local terms energy: -426.158151 where: bonds (distance) C4'-P energy: -78.671 bonds (distance) P-C4' energy: -119.630 flat angles C4'-P-C4' energy: -107.307 flat angles P-C4'-P energy: -57.899 tors. eta vs tors. theta energy: -62.650 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: 4 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -812.205865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.205865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.205865 (E_RNA) where: Base-Base interactions energy: -437.840 where: short stacking energy: -249.349 Base-Backbone interact. energy: -1.450 local terms energy: -372.915869 where: bonds (distance) C4'-P energy: -91.357 bonds (distance) P-C4' energy: -107.181 flat angles C4'-P-C4' energy: -89.184 flat angles P-C4'-P energy: -58.571 tors. eta vs tors. theta energy: -26.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2238.717794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.717794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.717794 (E_RNA) where: Base-Base interactions energy: -1574.198 where: short stacking energy: -684.090 Base-Backbone interact. energy: -2.553 local terms energy: -661.966531 where: bonds (distance) C4'-P energy: -107.379 bonds (distance) P-C4' energy: -128.102 flat angles C4'-P-C4' energy: -139.854 flat angles P-C4'-P energy: -93.091 tors. eta vs tors. theta energy: -193.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2212.155928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.155928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.155928 (E_RNA) where: Base-Base interactions energy: -1530.698 where: short stacking energy: -638.083 Base-Backbone interact. energy: -2.147 local terms energy: -679.310706 where: bonds (distance) C4'-P energy: -127.723 bonds (distance) P-C4' energy: -125.941 flat angles C4'-P-C4' energy: -127.377 flat angles P-C4'-P energy: -96.017 tors. eta vs tors. theta energy: -202.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2089.658923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.658923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.658923 (E_RNA) where: Base-Base interactions energy: -1466.143 where: short stacking energy: -584.155 Base-Backbone interact. energy: -2.697 local terms energy: -620.818961 where: bonds (distance) C4'-P energy: -121.253 bonds (distance) P-C4' energy: -110.799 flat angles C4'-P-C4' energy: -130.731 flat angles P-C4'-P energy: -92.855 tors. eta vs tors. theta energy: -165.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2044.570808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.570808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.570808 (E_RNA) where: Base-Base interactions energy: -1418.839 where: short stacking energy: -594.499 Base-Backbone interact. energy: -2.971 local terms energy: -622.760213 where: bonds (distance) C4'-P energy: -110.623 bonds (distance) P-C4' energy: -118.208 flat angles C4'-P-C4' energy: -134.244 flat angles P-C4'-P energy: -88.631 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: 5, replica: 7 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1897.977112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.977112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.977112 (E_RNA) where: Base-Base interactions energy: -1311.036 where: short stacking energy: -535.563 Base-Backbone interact. energy: 1.059 local terms energy: -588.000366 where: bonds (distance) C4'-P energy: -111.585 bonds (distance) P-C4' energy: -105.547 flat angles C4'-P-C4' energy: -128.100 flat angles P-C4'-P energy: -89.435 tors. eta vs tors. theta energy: -153.333 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: 461 Temperature: 1.150000 Total energy: -1845.152878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.152878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.152878 (E_RNA) where: Base-Base interactions energy: -1318.275 where: short stacking energy: -528.342 Base-Backbone interact. energy: -3.459 local terms energy: -523.419323 where: bonds (distance) C4'-P energy: -87.345 bonds (distance) P-C4' energy: -87.965 flat angles C4'-P-C4' energy: -120.268 flat angles P-C4'-P energy: -83.836 tors. eta vs tors. theta energy: -144.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1588.138770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.138770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.138770 (E_RNA) where: Base-Base interactions energy: -1066.985 where: short stacking energy: -496.337 Base-Backbone interact. energy: -0.439 local terms energy: -520.714983 where: bonds (distance) C4'-P energy: -111.257 bonds (distance) P-C4' energy: -114.255 flat angles C4'-P-C4' energy: -118.639 flat angles P-C4'-P energy: -54.899 tors. eta vs tors. theta energy: -121.664 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: 8 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1232.638005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.638005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.638005 (E_RNA) where: Base-Base interactions energy: -782.411 where: short stacking energy: -337.647 Base-Backbone interact. energy: -1.093 local terms energy: -449.133821 where: bonds (distance) C4'-P energy: -109.842 bonds (distance) P-C4' energy: -98.541 flat angles C4'-P-C4' energy: -102.796 flat angles P-C4'-P energy: -65.475 tors. eta vs tors. theta energy: -72.480 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: 461 Temperature: 1.300000 Total energy: -1082.553151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.553151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.553151 (E_RNA) where: Base-Base interactions energy: -680.958 where: short stacking energy: -310.534 Base-Backbone interact. energy: -4.457 local terms energy: -397.138132 where: bonds (distance) C4'-P energy: -84.359 bonds (distance) P-C4' energy: -107.982 flat angles C4'-P-C4' energy: -94.522 flat angles P-C4'-P energy: -57.755 tors. eta vs tors. theta energy: -52.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -751.567013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.567013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.567013 (E_RNA) where: Base-Base interactions energy: -427.281 where: short stacking energy: -220.982 Base-Backbone interact. energy: 3.646 local terms energy: -327.931572 where: bonds (distance) C4'-P energy: -97.548 bonds (distance) P-C4' energy: -94.529 flat angles C4'-P-C4' energy: -94.991 flat angles P-C4'-P energy: -26.042 tors. eta vs tors. theta energy: -14.822 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: 6 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2236.676157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.676157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.676157 (E_RNA) where: Base-Base interactions energy: -1555.772 where: short stacking energy: -646.807 Base-Backbone interact. energy: -0.130 local terms energy: -680.775059 where: bonds (distance) C4'-P energy: -133.858 bonds (distance) P-C4' energy: -116.547 flat angles C4'-P-C4' energy: -148.451 flat angles P-C4'-P energy: -94.461 tors. eta vs tors. theta energy: -187.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2220.648954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.648954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.648954 (E_RNA) where: Base-Base interactions energy: -1535.873 where: short stacking energy: -642.470 Base-Backbone interact. energy: -0.793 local terms energy: -683.982858 where: bonds (distance) C4'-P energy: -118.920 bonds (distance) P-C4' energy: -138.943 flat angles C4'-P-C4' energy: -135.293 flat angles P-C4'-P energy: -87.230 tors. eta vs tors. theta energy: -203.596 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: 3, replica: 5 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2075.759010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.759010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.759010 (E_RNA) where: Base-Base interactions energy: -1470.605 where: short stacking energy: -607.151 Base-Backbone interact. energy: -4.974 local terms energy: -600.180340 where: bonds (distance) C4'-P energy: -110.668 bonds (distance) P-C4' energy: -115.347 flat angles C4'-P-C4' energy: -126.679 flat angles P-C4'-P energy: -85.671 tors. eta vs tors. theta energy: -161.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2039.821429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.821429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.821429 (E_RNA) where: Base-Base interactions energy: -1419.020 where: short stacking energy: -600.809 Base-Backbone interact. energy: -2.153 local terms energy: -618.648578 where: bonds (distance) C4'-P energy: -105.859 bonds (distance) P-C4' energy: -129.683 flat angles C4'-P-C4' energy: -111.791 flat angles P-C4'-P energy: -90.464 tors. eta vs tors. theta energy: -180.853 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: 7 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1922.399612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.399612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.399612 (E_RNA) where: Base-Base interactions energy: -1330.798 where: short stacking energy: -555.850 Base-Backbone interact. energy: 0.807 local terms energy: -592.408137 where: bonds (distance) C4'-P energy: -99.967 bonds (distance) P-C4' energy: -116.041 flat angles C4'-P-C4' energy: -131.550 flat angles P-C4'-P energy: -77.559 tors. eta vs tors. theta energy: -167.291 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: 3 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1832.162313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.162313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.162313 (E_RNA) where: Base-Base interactions energy: -1302.587 where: short stacking energy: -527.751 Base-Backbone interact. energy: -3.756 local terms energy: -525.819309 where: bonds (distance) C4'-P energy: -92.307 bonds (distance) P-C4' energy: -96.486 flat angles C4'-P-C4' energy: -120.771 flat angles P-C4'-P energy: -78.077 tors. eta vs tors. theta energy: -138.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1607.197309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.197309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.197309 (E_RNA) where: Base-Base interactions energy: -1090.387 where: short stacking energy: -503.133 Base-Backbone interact. energy: -2.438 local terms energy: -514.371741 where: bonds (distance) C4'-P energy: -96.893 bonds (distance) P-C4' energy: -96.233 flat angles C4'-P-C4' energy: -116.479 flat angles P-C4'-P energy: -66.386 tors. eta vs tors. theta energy: -138.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1271.841248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.841248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.841248 (E_RNA) where: Base-Base interactions energy: -776.334 where: short stacking energy: -367.940 Base-Backbone interact. energy: -3.057 local terms energy: -492.450962 where: bonds (distance) C4'-P energy: -101.097 bonds (distance) P-C4' energy: -135.427 flat angles C4'-P-C4' energy: -114.955 flat angles P-C4'-P energy: -70.985 tors. eta vs tors. theta energy: -69.987 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: 462 Temperature: 1.300000 Total energy: -1044.900951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.900951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.900951 (E_RNA) where: Base-Base interactions energy: -621.596 where: short stacking energy: -306.911 Base-Backbone interact. energy: 5.465 local terms energy: -428.770047 where: bonds (distance) C4'-P energy: -97.387 bonds (distance) P-C4' energy: -112.409 flat angles C4'-P-C4' energy: -110.705 flat angles P-C4'-P energy: -61.747 tors. eta vs tors. theta energy: -46.523 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: 4 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -795.642843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.642843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.642843 (E_RNA) where: Base-Base interactions energy: -473.781 where: short stacking energy: -246.596 Base-Backbone interact. energy: 8.085 local terms energy: -329.946687 where: bonds (distance) C4'-P energy: -94.957 bonds (distance) P-C4' energy: -96.256 flat angles C4'-P-C4' energy: -64.559 flat angles P-C4'-P energy: -57.335 tors. eta vs tors. theta energy: -16.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2253.134809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.134809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.134809 (E_RNA) where: Base-Base interactions energy: -1581.830 where: short stacking energy: -647.195 Base-Backbone interact. energy: -1.618 local terms energy: -669.686991 where: bonds (distance) C4'-P energy: -119.789 bonds (distance) P-C4' energy: -119.680 flat angles C4'-P-C4' energy: -132.196 flat angles P-C4'-P energy: -107.387 tors. eta vs tors. theta energy: -190.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2207.928045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.928045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.928045 (E_RNA) where: Base-Base interactions energy: -1551.306 where: short stacking energy: -643.984 Base-Backbone interact. energy: -2.925 local terms energy: -653.696655 where: bonds (distance) C4'-P energy: -101.112 bonds (distance) P-C4' energy: -121.019 flat angles C4'-P-C4' energy: -139.540 flat angles P-C4'-P energy: -84.883 tors. eta vs tors. theta energy: -207.141 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: 3, replica: 5 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2066.074412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.074412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.074412 (E_RNA) where: Base-Base interactions energy: -1471.745 where: short stacking energy: -611.726 Base-Backbone interact. energy: -3.361 local terms energy: -590.969004 where: bonds (distance) C4'-P energy: -113.003 bonds (distance) P-C4' energy: -110.953 flat angles C4'-P-C4' energy: -131.241 flat angles P-C4'-P energy: -71.754 tors. eta vs tors. theta energy: -164.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2002.811085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.811085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.811085 (E_RNA) where: Base-Base interactions energy: -1390.056 where: short stacking energy: -590.242 Base-Backbone interact. energy: -4.023 local terms energy: -608.731255 where: bonds (distance) C4'-P energy: -108.753 bonds (distance) P-C4' energy: -108.628 flat angles C4'-P-C4' energy: -127.644 flat angles P-C4'-P energy: -90.780 tors. eta vs tors. theta energy: -172.927 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: 7 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1879.197549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.197549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.197549 (E_RNA) where: Base-Base interactions energy: -1302.190 where: short stacking energy: -572.641 Base-Backbone interact. energy: -0.257 local terms energy: -576.750401 where: bonds (distance) C4'-P energy: -99.760 bonds (distance) P-C4' energy: -113.319 flat angles C4'-P-C4' energy: -125.139 flat angles P-C4'-P energy: -84.512 tors. eta vs tors. theta energy: -154.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1822.474522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.474522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.474522 (E_RNA) where: Base-Base interactions energy: -1274.357 where: short stacking energy: -547.098 Base-Backbone interact. energy: -0.075 local terms energy: -548.042675 where: bonds (distance) C4'-P energy: -107.670 bonds (distance) P-C4' energy: -112.775 flat angles C4'-P-C4' energy: -133.620 flat angles P-C4'-P energy: -60.533 tors. eta vs tors. theta energy: -133.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1633.979102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.979102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.979102 (E_RNA) where: Base-Base interactions energy: -1078.165 where: short stacking energy: -486.810 Base-Backbone interact. energy: -3.754 local terms energy: -552.060189 where: bonds (distance) C4'-P energy: -111.431 bonds (distance) P-C4' energy: -102.059 flat angles C4'-P-C4' energy: -114.842 flat angles P-C4'-P energy: -92.534 tors. eta vs tors. theta energy: -131.194 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: 8, replica: 8 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1286.732283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.732283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.732283 (E_RNA) where: Base-Base interactions energy: -845.832 where: short stacking energy: -370.852 Base-Backbone interact. energy: -0.179 local terms energy: -440.720728 where: bonds (distance) C4'-P energy: -86.836 bonds (distance) P-C4' energy: -111.089 flat angles C4'-P-C4' energy: -116.439 flat angles P-C4'-P energy: -59.193 tors. eta vs tors. theta energy: -67.164 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: 9, replica: 9 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1051.002302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.002302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.002302 (E_RNA) where: Base-Base interactions energy: -624.838 where: short stacking energy: -301.910 Base-Backbone interact. energy: -5.143 local terms energy: -421.020712 where: bonds (distance) C4'-P energy: -103.593 bonds (distance) P-C4' energy: -107.243 flat angles C4'-P-C4' energy: -103.331 flat angles P-C4'-P energy: -46.028 tors. eta vs tors. theta energy: -60.825 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: 4 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -806.239336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.239336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.239336 (E_RNA) where: Base-Base interactions energy: -471.827 where: short stacking energy: -248.708 Base-Backbone interact. energy: 0.121 local terms energy: -334.533698 where: bonds (distance) C4'-P energy: -99.023 bonds (distance) P-C4' energy: -88.896 flat angles C4'-P-C4' energy: -85.713 flat angles P-C4'-P energy: -35.320 tors. eta vs tors. theta energy: -25.581 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: 6 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2234.347791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.347791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.347791 (E_RNA) where: Base-Base interactions energy: -1547.382 where: short stacking energy: -631.164 Base-Backbone interact. energy: -3.958 local terms energy: -683.008272 where: bonds (distance) C4'-P energy: -124.605 bonds (distance) P-C4' energy: -127.471 flat angles C4'-P-C4' energy: -143.356 flat angles P-C4'-P energy: -95.794 tors. eta vs tors. theta energy: -191.782 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: 10 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2232.833484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.833484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.833484 (E_RNA) where: Base-Base interactions energy: -1542.470 where: short stacking energy: -666.453 Base-Backbone interact. energy: 0.018 local terms energy: -690.381583 where: bonds (distance) C4'-P energy: -111.576 bonds (distance) P-C4' energy: -126.090 flat angles C4'-P-C4' energy: -142.768 flat angles P-C4'-P energy: -103.536 tors. eta vs tors. theta energy: -206.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2073.709597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.709597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.709597 (E_RNA) where: Base-Base interactions energy: -1448.066 where: short stacking energy: -587.218 Base-Backbone interact. energy: -4.211 local terms energy: -621.432457 where: bonds (distance) C4'-P energy: -123.815 bonds (distance) P-C4' energy: -118.919 flat angles C4'-P-C4' energy: -144.878 flat angles P-C4'-P energy: -83.038 tors. eta vs tors. theta energy: -150.783 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: 4, replica: 2 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2040.782320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.782320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.782320 (E_RNA) where: Base-Base interactions energy: -1427.234 where: short stacking energy: -616.861 Base-Backbone interact. energy: -2.349 local terms energy: -611.199133 where: bonds (distance) C4'-P energy: -118.451 bonds (distance) P-C4' energy: -104.773 flat angles C4'-P-C4' energy: -123.668 flat angles P-C4'-P energy: -79.814 tors. eta vs tors. theta energy: -184.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1861.123474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.123474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.123474 (E_RNA) where: Base-Base interactions energy: -1292.289 where: short stacking energy: -528.729 Base-Backbone interact. energy: -0.659 local terms energy: -568.175922 where: bonds (distance) C4'-P energy: -109.991 bonds (distance) P-C4' energy: -111.316 flat angles C4'-P-C4' energy: -121.891 flat angles P-C4'-P energy: -76.404 tors. eta vs tors. theta energy: -148.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1852.813588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.813588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.813588 (E_RNA) where: Base-Base interactions energy: -1294.685 where: short stacking energy: -547.252 Base-Backbone interact. energy: -0.033 local terms energy: -558.095874 where: bonds (distance) C4'-P energy: -104.528 bonds (distance) P-C4' energy: -116.976 flat angles C4'-P-C4' energy: -111.090 flat angles P-C4'-P energy: -71.880 tors. eta vs tors. theta energy: -153.622 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: 1 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1641.624859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.624859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.624859 (E_RNA) where: Base-Base interactions energy: -1114.286 where: short stacking energy: -525.501 Base-Backbone interact. energy: 5.583 local terms energy: -532.921807 where: bonds (distance) C4'-P energy: -107.642 bonds (distance) P-C4' energy: -99.289 flat angles C4'-P-C4' energy: -115.243 flat angles P-C4'-P energy: -79.340 tors. eta vs tors. theta energy: -131.408 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: 8 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1208.511838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.511838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.511838 (E_RNA) where: Base-Base interactions energy: -757.050 where: short stacking energy: -302.620 Base-Backbone interact. energy: -2.531 local terms energy: -448.930025 where: bonds (distance) C4'-P energy: -97.279 bonds (distance) P-C4' energy: -100.004 flat angles C4'-P-C4' energy: -121.014 flat angles P-C4'-P energy: -59.366 tors. eta vs tors. theta energy: -71.267 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: 464 Temperature: 1.300000 Total energy: -994.265396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.265396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.265396 (E_RNA) where: Base-Base interactions energy: -591.154 where: short stacking energy: -293.564 Base-Backbone interact. energy: 4.952 local terms energy: -408.063753 where: bonds (distance) C4'-P energy: -98.357 bonds (distance) P-C4' energy: -99.749 flat angles C4'-P-C4' energy: -98.099 flat angles P-C4'-P energy: -63.755 tors. eta vs tors. theta energy: -48.103 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: 4 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -763.417071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.417071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.417071 (E_RNA) where: Base-Base interactions energy: -420.007 where: short stacking energy: -200.165 Base-Backbone interact. energy: -0.949 local terms energy: -342.461146 where: bonds (distance) C4'-P energy: -91.897 bonds (distance) P-C4' energy: -87.709 flat angles C4'-P-C4' energy: -97.117 flat angles P-C4'-P energy: -58.152 tors. eta vs tors. theta energy: -7.587 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: 6 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2242.292382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.292382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.292382 (E_RNA) where: Base-Base interactions energy: -1571.258 where: short stacking energy: -653.273 Base-Backbone interact. energy: -5.487 local terms energy: -665.547281 where: bonds (distance) C4'-P energy: -118.778 bonds (distance) P-C4' energy: -130.663 flat angles C4'-P-C4' energy: -132.749 flat angles P-C4'-P energy: -98.922 tors. eta vs tors. theta energy: -184.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2223.028546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.028546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.028546 (E_RNA) where: Base-Base interactions energy: -1576.035 where: short stacking energy: -664.119 Base-Backbone interact. energy: -1.861 local terms energy: -645.132537 where: bonds (distance) C4'-P energy: -114.370 bonds (distance) P-C4' energy: -115.122 flat angles C4'-P-C4' energy: -131.392 flat angles P-C4'-P energy: -87.148 tors. eta vs tors. theta energy: -197.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2088.082140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.082140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.082140 (E_RNA) where: Base-Base interactions energy: -1446.245 where: short stacking energy: -595.944 Base-Backbone interact. energy: -5.177 local terms energy: -636.660532 where: bonds (distance) C4'-P energy: -125.694 bonds (distance) P-C4' energy: -115.921 flat angles C4'-P-C4' energy: -138.630 flat angles P-C4'-P energy: -85.269 tors. eta vs tors. theta energy: -171.147 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: 465 Temperature: 1.050000 Total energy: -2025.302307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.302307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.302307 (E_RNA) where: Base-Base interactions energy: -1418.738 where: short stacking energy: -619.606 Base-Backbone interact. energy: -2.846 local terms energy: -603.718234 where: bonds (distance) C4'-P energy: -102.590 bonds (distance) P-C4' energy: -114.946 flat angles C4'-P-C4' energy: -125.094 flat angles P-C4'-P energy: -78.864 tors. eta vs tors. theta energy: -182.224 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: 5, replica: 7 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1846.520217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.520217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.520217 (E_RNA) where: Base-Base interactions energy: -1276.904 where: short stacking energy: -552.059 Base-Backbone interact. energy: 2.522 local terms energy: -572.138975 where: bonds (distance) C4'-P energy: -102.584 bonds (distance) P-C4' energy: -110.420 flat angles C4'-P-C4' energy: -126.024 flat angles P-C4'-P energy: -81.984 tors. eta vs tors. theta energy: -151.128 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: 465 Temperature: 1.150000 Total energy: -1856.357189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.357189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.357189 (E_RNA) where: Base-Base interactions energy: -1315.441 where: short stacking energy: -548.966 Base-Backbone interact. energy: -4.370 local terms energy: -536.546233 where: bonds (distance) C4'-P energy: -121.112 bonds (distance) P-C4' energy: -97.757 flat angles C4'-P-C4' energy: -104.351 flat angles P-C4'-P energy: -68.668 tors. eta vs tors. theta energy: -144.658 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: 1 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1625.841507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.841507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.841507 (E_RNA) where: Base-Base interactions energy: -1114.666 where: short stacking energy: -505.522 Base-Backbone interact. energy: 1.758 local terms energy: -512.933625 where: bonds (distance) C4'-P energy: -100.446 bonds (distance) P-C4' energy: -95.444 flat angles C4'-P-C4' energy: -118.709 flat angles P-C4'-P energy: -68.872 tors. eta vs tors. theta energy: -129.463 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: 8 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1238.578066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.578066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.578066 (E_RNA) where: Base-Base interactions energy: -778.590 where: short stacking energy: -358.673 Base-Backbone interact. energy: -2.790 local terms energy: -457.198069 where: bonds (distance) C4'-P energy: -98.226 bonds (distance) P-C4' energy: -106.771 flat angles C4'-P-C4' energy: -111.834 flat angles P-C4'-P energy: -71.926 tors. eta vs tors. theta energy: -68.442 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: 465 Temperature: 1.300000 Total energy: -1073.027659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.027659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.027659 (E_RNA) where: Base-Base interactions energy: -626.404 where: short stacking energy: -329.160 Base-Backbone interact. energy: 1.450 local terms energy: -448.073451 where: bonds (distance) C4'-P energy: -106.101 bonds (distance) P-C4' energy: -102.349 flat angles C4'-P-C4' energy: -108.220 flat angles P-C4'-P energy: -65.174 tors. eta vs tors. theta energy: -66.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -836.077624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.077624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.077624 (E_RNA) where: Base-Base interactions energy: -459.711 where: short stacking energy: -235.536 Base-Backbone interact. energy: -1.348 local terms energy: -375.018260 where: bonds (distance) C4'-P energy: -101.596 bonds (distance) P-C4' energy: -107.396 flat angles C4'-P-C4' energy: -84.912 flat angles P-C4'-P energy: -55.385 tors. eta vs tors. theta energy: -25.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2250.143535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.143535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.143535 (E_RNA) where: Base-Base interactions energy: -1582.588 where: short stacking energy: -667.005 Base-Backbone interact. energy: -0.619 local terms energy: -666.936972 where: bonds (distance) C4'-P energy: -113.858 bonds (distance) P-C4' energy: -120.654 flat angles C4'-P-C4' energy: -146.176 flat angles P-C4'-P energy: -80.307 tors. eta vs tors. theta energy: -205.942 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: 2, replica: 6 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2203.196542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.196542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.196542 (E_RNA) where: Base-Base interactions energy: -1547.311 where: short stacking energy: -656.358 Base-Backbone interact. energy: -0.706 local terms energy: -655.179605 where: bonds (distance) C4'-P energy: -112.820 bonds (distance) P-C4' energy: -110.959 flat angles C4'-P-C4' energy: -144.477 flat angles P-C4'-P energy: -100.187 tors. eta vs tors. theta energy: -186.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2074.519248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.519248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.519248 (E_RNA) where: Base-Base interactions energy: -1448.630 where: short stacking energy: -607.604 Base-Backbone interact. energy: -0.564 local terms energy: -625.324989 where: bonds (distance) C4'-P energy: -127.190 bonds (distance) P-C4' energy: -109.002 flat angles C4'-P-C4' energy: -137.318 flat angles P-C4'-P energy: -80.837 tors. eta vs tors. theta energy: -170.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2013.251085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.251085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.251085 (E_RNA) where: Base-Base interactions energy: -1397.447 where: short stacking energy: -587.365 Base-Backbone interact. energy: -4.212 local terms energy: -611.592664 where: bonds (distance) C4'-P energy: -104.380 bonds (distance) P-C4' energy: -112.915 flat angles C4'-P-C4' energy: -133.537 flat angles P-C4'-P energy: -81.473 tors. eta vs tors. theta energy: -179.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1901.767193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.767193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.767193 (E_RNA) where: Base-Base interactions energy: -1307.519 where: short stacking energy: -544.262 Base-Backbone interact. energy: -1.567 local terms energy: -592.681161 where: bonds (distance) C4'-P energy: -121.104 bonds (distance) P-C4' energy: -126.453 flat angles C4'-P-C4' energy: -119.680 flat angles P-C4'-P energy: -72.873 tors. eta vs tors. theta energy: -152.571 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: 7 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1828.217771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.217771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.217771 (E_RNA) where: Base-Base interactions energy: -1289.485 where: short stacking energy: -536.182 Base-Backbone interact. energy: -3.320 local terms energy: -535.412100 where: bonds (distance) C4'-P energy: -91.090 bonds (distance) P-C4' energy: -113.388 flat angles C4'-P-C4' energy: -127.706 flat angles P-C4'-P energy: -62.172 tors. eta vs tors. theta energy: -141.056 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: 1 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1594.356240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.356240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.356240 (E_RNA) where: Base-Base interactions energy: -1078.812 where: short stacking energy: -468.359 Base-Backbone interact. energy: -1.132 local terms energy: -514.412334 where: bonds (distance) C4'-P energy: -107.255 bonds (distance) P-C4' energy: -100.021 flat angles C4'-P-C4' energy: -132.248 flat angles P-C4'-P energy: -54.964 tors. eta vs tors. theta energy: -119.925 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: 8 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1262.535774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.535774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.535774 (E_RNA) where: Base-Base interactions energy: -810.105 where: short stacking energy: -372.430 Base-Backbone interact. energy: -1.290 local terms energy: -451.140744 where: bonds (distance) C4'-P energy: -98.131 bonds (distance) P-C4' energy: -100.032 flat angles C4'-P-C4' energy: -122.167 flat angles P-C4'-P energy: -61.729 tors. eta vs tors. theta energy: -69.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1061.378569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.378569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.378569 (E_RNA) where: Base-Base interactions energy: -620.405 where: short stacking energy: -307.438 Base-Backbone interact. energy: -5.415 local terms energy: -435.559068 where: bonds (distance) C4'-P energy: -98.268 bonds (distance) P-C4' energy: -110.481 flat angles C4'-P-C4' energy: -104.203 flat angles P-C4'-P energy: -66.290 tors. eta vs tors. theta energy: -56.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -770.796337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.796337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.796337 (E_RNA) where: Base-Base interactions energy: -435.439 where: short stacking energy: -240.948 Base-Backbone interact. energy: 0.011 local terms energy: -335.368573 where: bonds (distance) C4'-P energy: -87.428 bonds (distance) P-C4' energy: -80.869 flat angles C4'-P-C4' energy: -88.742 flat angles P-C4'-P energy: -61.185 tors. eta vs tors. theta energy: -17.145 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: 10 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2247.570354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.570354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.570354 (E_RNA) where: Base-Base interactions energy: -1591.527 where: short stacking energy: -672.695 Base-Backbone interact. energy: -1.481 local terms energy: -654.561867 where: bonds (distance) C4'-P energy: -104.478 bonds (distance) P-C4' energy: -125.193 flat angles C4'-P-C4' energy: -132.192 flat angles P-C4'-P energy: -88.899 tors. eta vs tors. theta energy: -203.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2165.908270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.908270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.908270 (E_RNA) where: Base-Base interactions energy: -1520.629 where: short stacking energy: -637.895 Base-Backbone interact. energy: -1.862 local terms energy: -643.416991 where: bonds (distance) C4'-P energy: -117.453 bonds (distance) P-C4' energy: -119.166 flat angles C4'-P-C4' energy: -137.186 flat angles P-C4'-P energy: -88.700 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: 3, replica: 5 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2079.301637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.301637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.301637 (E_RNA) where: Base-Base interactions energy: -1476.536 where: short stacking energy: -580.538 Base-Backbone interact. energy: -0.624 local terms energy: -602.141194 where: bonds (distance) C4'-P energy: -106.372 bonds (distance) P-C4' energy: -112.554 flat angles C4'-P-C4' energy: -128.079 flat angles P-C4'-P energy: -86.920 tors. eta vs tors. theta energy: -168.216 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: 2 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2028.360770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.360770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.360770 (E_RNA) where: Base-Base interactions energy: -1375.865 where: short stacking energy: -595.290 Base-Backbone interact. energy: -1.463 local terms energy: -651.032587 where: bonds (distance) C4'-P energy: -111.728 bonds (distance) P-C4' energy: -135.884 flat angles C4'-P-C4' energy: -139.683 flat angles P-C4'-P energy: -80.420 tors. eta vs tors. theta energy: -183.318 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: 5, replica: 3 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1941.415221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.415221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.415221 (E_RNA) where: Base-Base interactions energy: -1357.830 where: short stacking energy: -563.864 Base-Backbone interact. energy: -1.498 local terms energy: -582.087645 where: bonds (distance) C4'-P energy: -107.017 bonds (distance) P-C4' energy: -121.071 flat angles C4'-P-C4' energy: -130.112 flat angles P-C4'-P energy: -77.922 tors. eta vs tors. theta energy: -145.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1861.801298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.801298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.801298 (E_RNA) where: Base-Base interactions energy: -1286.119 where: short stacking energy: -555.664 Base-Backbone interact. energy: -2.212 local terms energy: -573.469686 where: bonds (distance) C4'-P energy: -116.760 bonds (distance) P-C4' energy: -105.863 flat angles C4'-P-C4' energy: -115.813 flat angles P-C4'-P energy: -76.466 tors. eta vs tors. theta energy: -158.568 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: 7, replica: 1 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1612.334285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.334285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.334285 (E_RNA) where: Base-Base interactions energy: -1105.531 where: short stacking energy: -487.268 Base-Backbone interact. energy: -2.829 local terms energy: -503.973639 where: bonds (distance) C4'-P energy: -81.173 bonds (distance) P-C4' energy: -104.734 flat angles C4'-P-C4' energy: -121.591 flat angles P-C4'-P energy: -67.337 tors. eta vs tors. theta energy: -129.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1294.698665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.698665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.698665 (E_RNA) where: Base-Base interactions energy: -822.688 where: short stacking energy: -350.986 Base-Backbone interact. energy: -0.974 local terms energy: -471.037188 where: bonds (distance) C4'-P energy: -92.918 bonds (distance) P-C4' energy: -108.373 flat angles C4'-P-C4' energy: -113.560 flat angles P-C4'-P energy: -72.722 tors. eta vs tors. theta energy: -83.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1050.614161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.614161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.614161 (E_RNA) where: Base-Base interactions energy: -634.995 where: short stacking energy: -290.271 Base-Backbone interact. energy: -0.787 local terms energy: -414.833027 where: bonds (distance) C4'-P energy: -77.724 bonds (distance) P-C4' energy: -113.162 flat angles C4'-P-C4' energy: -92.919 flat angles P-C4'-P energy: -73.115 tors. eta vs tors. theta energy: -57.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -747.092445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.092445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.092445 (E_RNA) where: Base-Base interactions energy: -410.528 where: short stacking energy: -231.858 Base-Backbone interact. energy: 2.319 local terms energy: -338.883915 where: bonds (distance) C4'-P energy: -81.744 bonds (distance) P-C4' energy: -91.716 flat angles C4'-P-C4' energy: -94.078 flat angles P-C4'-P energy: -53.385 tors. eta vs tors. theta energy: -17.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2294.551715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.551715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.551715 (E_RNA) where: Base-Base interactions energy: -1599.105 where: short stacking energy: -677.528 Base-Backbone interact. energy: -2.018 local terms energy: -693.428692 where: bonds (distance) C4'-P energy: -123.442 bonds (distance) P-C4' energy: -133.775 flat angles C4'-P-C4' energy: -141.625 flat angles P-C4'-P energy: -93.680 tors. eta vs tors. theta energy: -200.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2165.911059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.911059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.911059 (E_RNA) where: Base-Base interactions energy: -1510.850 where: short stacking energy: -661.255 Base-Backbone interact. energy: -2.929 local terms energy: -652.131790 where: bonds (distance) C4'-P energy: -98.647 bonds (distance) P-C4' energy: -131.958 flat angles C4'-P-C4' energy: -142.505 flat angles P-C4'-P energy: -94.424 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: 3, replica: 5 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2054.861460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.861460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.861460 (E_RNA) where: Base-Base interactions energy: -1462.326 where: short stacking energy: -598.493 Base-Backbone interact. energy: -1.015 local terms energy: -591.520697 where: bonds (distance) C4'-P energy: -122.436 bonds (distance) P-C4' energy: -119.736 flat angles C4'-P-C4' energy: -123.021 flat angles P-C4'-P energy: -73.026 tors. eta vs tors. theta energy: -153.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2032.756375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.756375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.756375 (E_RNA) where: Base-Base interactions energy: -1418.835 where: short stacking energy: -621.508 Base-Backbone interact. energy: -3.132 local terms energy: -610.789130 where: bonds (distance) C4'-P energy: -112.508 bonds (distance) P-C4' energy: -102.534 flat angles C4'-P-C4' energy: -122.312 flat angles P-C4'-P energy: -85.502 tors. eta vs tors. theta energy: -187.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1985.127813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.127813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.127813 (E_RNA) where: Base-Base interactions energy: -1389.421 where: short stacking energy: -567.449 Base-Backbone interact. energy: -2.553 local terms energy: -593.153284 where: bonds (distance) C4'-P energy: -98.816 bonds (distance) P-C4' energy: -116.146 flat angles C4'-P-C4' energy: -131.420 flat angles P-C4'-P energy: -85.237 tors. eta vs tors. theta energy: -161.534 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: 7 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1825.597467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.597467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.597467 (E_RNA) where: Base-Base interactions energy: -1250.469 where: short stacking energy: -539.627 Base-Backbone interact. energy: 3.227 local terms energy: -578.355065 where: bonds (distance) C4'-P energy: -102.929 bonds (distance) P-C4' energy: -120.242 flat angles C4'-P-C4' energy: -120.651 flat angles P-C4'-P energy: -85.434 tors. eta vs tors. theta energy: -149.098 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: 1 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1570.527291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.527291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.527291 (E_RNA) where: Base-Base interactions energy: -1043.023 where: short stacking energy: -466.222 Base-Backbone interact. energy: -1.838 local terms energy: -525.666476 where: bonds (distance) C4'-P energy: -108.915 bonds (distance) P-C4' energy: -96.745 flat angles C4'-P-C4' energy: -123.561 flat angles P-C4'-P energy: -75.074 tors. eta vs tors. theta energy: -121.372 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: 8, replica: 8 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1287.358614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.358614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.358614 (E_RNA) where: Base-Base interactions energy: -853.205 where: short stacking energy: -382.010 Base-Backbone interact. energy: -1.557 local terms energy: -432.596026 where: bonds (distance) C4'-P energy: -95.809 bonds (distance) P-C4' energy: -100.176 flat angles C4'-P-C4' energy: -98.875 flat angles P-C4'-P energy: -69.771 tors. eta vs tors. theta energy: -67.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1028.761951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.761951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.761951 (E_RNA) where: Base-Base interactions energy: -623.164 where: short stacking energy: -292.643 Base-Backbone interact. energy: 1.659 local terms energy: -407.256884 where: bonds (distance) C4'-P energy: -97.121 bonds (distance) P-C4' energy: -102.608 flat angles C4'-P-C4' energy: -93.953 flat angles P-C4'-P energy: -55.505 tors. eta vs tors. theta energy: -58.069 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: 4 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -699.992702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.992702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.992702 (E_RNA) where: Base-Base interactions energy: -352.392 where: short stacking energy: -197.513 Base-Backbone interact. energy: 1.160 local terms energy: -348.759853 where: bonds (distance) C4'-P energy: -108.537 bonds (distance) P-C4' energy: -101.743 flat angles C4'-P-C4' energy: -102.945 flat angles P-C4'-P energy: -49.748 tors. eta vs tors. theta energy: 14.213 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: 10 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2271.011081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.011081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.011081 (E_RNA) where: Base-Base interactions energy: -1591.798 where: short stacking energy: -681.907 Base-Backbone interact. energy: -1.999 local terms energy: -677.214015 where: bonds (distance) C4'-P energy: -112.919 bonds (distance) P-C4' energy: -128.846 flat angles C4'-P-C4' energy: -133.138 flat angles P-C4'-P energy: -99.549 tors. eta vs tors. theta energy: -202.763 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: 6 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2191.713536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.713536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.713536 (E_RNA) where: Base-Base interactions energy: -1545.262 where: short stacking energy: -674.979 Base-Backbone interact. energy: -1.046 local terms energy: -645.405679 where: bonds (distance) C4'-P energy: -122.565 bonds (distance) P-C4' energy: -108.545 flat angles C4'-P-C4' energy: -136.771 flat angles P-C4'-P energy: -90.308 tors. eta vs tors. theta energy: -187.216 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: 3, replica: 5 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2057.559323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.559323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.559323 (E_RNA) where: Base-Base interactions energy: -1451.219 where: short stacking energy: -638.105 Base-Backbone interact. energy: -2.498 local terms energy: -603.842583 where: bonds (distance) C4'-P energy: -99.884 bonds (distance) P-C4' energy: -108.993 flat angles C4'-P-C4' energy: -133.878 flat angles P-C4'-P energy: -92.107 tors. eta vs tors. theta energy: -168.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2047.665390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.665390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.665390 (E_RNA) where: Base-Base interactions energy: -1399.767 where: short stacking energy: -596.509 Base-Backbone interact. energy: -1.878 local terms energy: -646.020694 where: bonds (distance) C4'-P energy: -120.272 bonds (distance) P-C4' energy: -112.037 flat angles C4'-P-C4' energy: -140.050 flat angles P-C4'-P energy: -88.468 tors. eta vs tors. theta energy: -185.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1941.771286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.771286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.771286 (E_RNA) where: Base-Base interactions energy: -1368.793 where: short stacking energy: -553.131 Base-Backbone interact. energy: -3.315 local terms energy: -569.663251 where: bonds (distance) C4'-P energy: -88.435 bonds (distance) P-C4' energy: -114.146 flat angles C4'-P-C4' energy: -129.332 flat angles P-C4'-P energy: -75.543 tors. eta vs tors. theta energy: -162.207 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: 6, replica: 7 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1813.263661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.263661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.263661 (E_RNA) where: Base-Base interactions energy: -1251.683 where: short stacking energy: -544.194 Base-Backbone interact. energy: -3.134 local terms energy: -558.445938 where: bonds (distance) C4'-P energy: -89.997 bonds (distance) P-C4' energy: -117.128 flat angles C4'-P-C4' energy: -119.963 flat angles P-C4'-P energy: -78.389 tors. eta vs tors. theta energy: -152.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1598.888230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.888230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.888230 (E_RNA) where: Base-Base interactions energy: -1060.413 where: short stacking energy: -466.940 Base-Backbone interact. energy: -1.001 local terms energy: -537.474119 where: bonds (distance) C4'-P energy: -114.468 bonds (distance) P-C4' energy: -108.079 flat angles C4'-P-C4' energy: -115.348 flat angles P-C4'-P energy: -69.580 tors. eta vs tors. theta energy: -129.999 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: 8 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1222.914852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.914852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.914852 (E_RNA) where: Base-Base interactions energy: -763.670 where: short stacking energy: -341.954 Base-Backbone interact. energy: -5.389 local terms energy: -453.856646 where: bonds (distance) C4'-P energy: -92.273 bonds (distance) P-C4' energy: -127.850 flat angles C4'-P-C4' energy: -107.585 flat angles P-C4'-P energy: -51.340 tors. eta vs tors. theta energy: -74.809 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: 469 Temperature: 1.300000 Total energy: -1026.794597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.794597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.794597 (E_RNA) where: Base-Base interactions energy: -633.995 where: short stacking energy: -273.791 Base-Backbone interact. energy: -0.328 local terms energy: -392.471893 where: bonds (distance) C4'-P energy: -84.585 bonds (distance) P-C4' energy: -115.668 flat angles C4'-P-C4' energy: -87.766 flat angles P-C4'-P energy: -55.407 tors. eta vs tors. theta energy: -49.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -709.574785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.574785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.574785 (E_RNA) where: Base-Base interactions energy: -402.016 where: short stacking energy: -228.596 Base-Backbone interact. energy: 0.310 local terms energy: -307.869056 where: bonds (distance) C4'-P energy: -80.209 bonds (distance) P-C4' energy: -92.777 flat angles C4'-P-C4' energy: -85.821 flat angles P-C4'-P energy: -46.053 tors. eta vs tors. theta energy: -3.009 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: 10 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -2274.485211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.485211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.485211 (E_RNA) where: Base-Base interactions energy: -1594.594 where: short stacking energy: -663.826 Base-Backbone interact. energy: -3.473 local terms energy: -676.418566 where: bonds (distance) C4'-P energy: -124.856 bonds (distance) P-C4' energy: -120.113 flat angles C4'-P-C4' energy: -143.964 flat angles P-C4'-P energy: -85.647 tors. eta vs tors. theta energy: -201.839 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: 6 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2168.174397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.174397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.174397 (E_RNA) where: Base-Base interactions energy: -1502.370 where: short stacking energy: -643.012 Base-Backbone interact. energy: -0.787 local terms energy: -665.016655 where: bonds (distance) C4'-P energy: -109.232 bonds (distance) P-C4' energy: -127.529 flat angles C4'-P-C4' energy: -143.127 flat angles P-C4'-P energy: -106.779 tors. eta vs tors. theta energy: -178.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2065.334348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.334348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.334348 (E_RNA) where: Base-Base interactions energy: -1441.354 where: short stacking energy: -594.850 Base-Backbone interact. energy: -2.759 local terms energy: -621.221077 where: bonds (distance) C4'-P energy: -118.474 bonds (distance) P-C4' energy: -115.686 flat angles C4'-P-C4' energy: -134.978 flat angles P-C4'-P energy: -85.077 tors. eta vs tors. theta energy: -167.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2011.802964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.802964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.802964 (E_RNA) where: Base-Base interactions energy: -1381.544 where: short stacking energy: -599.147 Base-Backbone interact. energy: -3.049 local terms energy: -627.209603 where: bonds (distance) C4'-P energy: -108.651 bonds (distance) P-C4' energy: -118.930 flat angles C4'-P-C4' energy: -138.581 flat angles P-C4'-P energy: -82.855 tors. eta vs tors. theta energy: -178.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1938.768598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.768598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.768598 (E_RNA) where: Base-Base interactions energy: -1376.018 where: short stacking energy: -579.352 Base-Backbone interact. energy: -1.235 local terms energy: -561.514793 where: bonds (distance) C4'-P energy: -110.390 bonds (distance) P-C4' energy: -103.721 flat angles C4'-P-C4' energy: -125.300 flat angles P-C4'-P energy: -69.967 tors. eta vs tors. theta energy: -152.136 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: 7 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1837.432507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.432507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.432507 (E_RNA) where: Base-Base interactions energy: -1284.594 where: short stacking energy: -548.467 Base-Backbone interact. energy: 3.400 local terms energy: -556.238645 where: bonds (distance) C4'-P energy: -111.928 bonds (distance) P-C4' energy: -89.760 flat angles C4'-P-C4' energy: -113.985 flat angles P-C4'-P energy: -80.854 tors. eta vs tors. theta energy: -159.712 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: 1 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1540.163748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.163748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.163748 (E_RNA) where: Base-Base interactions energy: -1032.489 where: short stacking energy: -465.234 Base-Backbone interact. energy: -2.166 local terms energy: -505.508704 where: bonds (distance) C4'-P energy: -96.937 bonds (distance) P-C4' energy: -107.174 flat angles C4'-P-C4' energy: -111.441 flat angles P-C4'-P energy: -78.882 tors. eta vs tors. theta energy: -111.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1232.954152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.954152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.954152 (E_RNA) where: Base-Base interactions energy: -812.080 where: short stacking energy: -353.471 Base-Backbone interact. energy: 0.870 local terms energy: -421.743836 where: bonds (distance) C4'-P energy: -80.212 bonds (distance) P-C4' energy: -102.847 flat angles C4'-P-C4' energy: -108.983 flat angles P-C4'-P energy: -77.912 tors. eta vs tors. theta energy: -51.789 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: 9, replica: 9 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1072.456225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.456225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.456225 (E_RNA) where: Base-Base interactions energy: -642.939 where: short stacking energy: -317.322 Base-Backbone interact. energy: -1.302 local terms energy: -428.214912 where: bonds (distance) C4'-P energy: -90.177 bonds (distance) P-C4' energy: -110.760 flat angles C4'-P-C4' energy: -112.780 flat angles P-C4'-P energy: -61.644 tors. eta vs tors. theta energy: -52.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -727.857540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.857540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.857540 (E_RNA) where: Base-Base interactions energy: -388.203 where: short stacking energy: -218.163 Base-Backbone interact. energy: 4.231 local terms energy: -343.885764 where: bonds (distance) C4'-P energy: -105.521 bonds (distance) P-C4' energy: -92.724 flat angles C4'-P-C4' energy: -78.755 flat angles P-C4'-P energy: -59.584 tors. eta vs tors. theta energy: -7.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -2257.597419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.597419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.597419 (E_RNA) where: Base-Base interactions energy: -1588.937 where: short stacking energy: -653.723 Base-Backbone interact. energy: -3.076 local terms energy: -665.584015 where: bonds (distance) C4'-P energy: -114.283 bonds (distance) P-C4' energy: -124.913 flat angles C4'-P-C4' energy: -135.697 flat angles P-C4'-P energy: -99.143 tors. eta vs tors. theta energy: -191.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2178.878603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.878603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.878603 (E_RNA) where: Base-Base interactions energy: -1546.058 where: short stacking energy: -634.641 Base-Backbone interact. energy: -4.956 local terms energy: -627.865037 where: bonds (distance) C4'-P energy: -110.056 bonds (distance) P-C4' energy: -110.697 flat angles C4'-P-C4' energy: -132.199 flat angles P-C4'-P energy: -97.284 tors. eta vs tors. theta energy: -177.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2032.066100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.066100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.066100 (E_RNA) where: Base-Base interactions energy: -1423.172 where: short stacking energy: -590.455 Base-Backbone interact. energy: 1.824 local terms energy: -610.718131 where: bonds (distance) C4'-P energy: -114.831 bonds (distance) P-C4' energy: -119.958 flat angles C4'-P-C4' energy: -131.476 flat angles P-C4'-P energy: -79.080 tors. eta vs tors. theta energy: -165.373 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: 4, replica: 2 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2039.878838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.878838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.878838 (E_RNA) where: Base-Base interactions energy: -1415.050 where: short stacking energy: -612.958 Base-Backbone interact. energy: -5.060 local terms energy: -619.768356 where: bonds (distance) C4'-P energy: -107.074 bonds (distance) P-C4' energy: -115.043 flat angles C4'-P-C4' energy: -131.394 flat angles P-C4'-P energy: -85.347 tors. eta vs tors. theta energy: -180.910 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: 3 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1975.180765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.180765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.180765 (E_RNA) where: Base-Base interactions energy: -1398.301 where: short stacking energy: -600.410 Base-Backbone interact. energy: 1.165 local terms energy: -578.044273 where: bonds (distance) C4'-P energy: -93.361 bonds (distance) P-C4' energy: -109.091 flat angles C4'-P-C4' energy: -123.757 flat angles P-C4'-P energy: -76.245 tors. eta vs tors. theta energy: -175.591 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: 6, replica: 7 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1855.381764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.381764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.381764 (E_RNA) where: Base-Base interactions energy: -1313.604 where: short stacking energy: -536.281 Base-Backbone interact. energy: 2.079 local terms energy: -543.856137 where: bonds (distance) C4'-P energy: -109.186 bonds (distance) P-C4' energy: -115.276 flat angles C4'-P-C4' energy: -120.167 flat angles P-C4'-P energy: -70.238 tors. eta vs tors. theta energy: -128.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1522.283282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.283282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.283282 (E_RNA) where: Base-Base interactions energy: -1045.435 where: short stacking energy: -492.724 Base-Backbone interact. energy: -2.637 local terms energy: -474.211231 where: bonds (distance) C4'-P energy: -86.016 bonds (distance) P-C4' energy: -87.331 flat angles C4'-P-C4' energy: -102.853 flat angles P-C4'-P energy: -80.842 tors. eta vs tors. theta energy: -117.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1276.127034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.127034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.127034 (E_RNA) where: Base-Base interactions energy: -827.262 where: short stacking energy: -344.698 Base-Backbone interact. energy: 0.137 local terms energy: -449.002026 where: bonds (distance) C4'-P energy: -99.494 bonds (distance) P-C4' energy: -103.163 flat angles C4'-P-C4' energy: -106.029 flat angles P-C4'-P energy: -59.747 tors. eta vs tors. theta energy: -80.568 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: 9, replica: 9 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1077.474201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.474201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.474201 (E_RNA) where: Base-Base interactions energy: -665.016 where: short stacking energy: -310.257 Base-Backbone interact. energy: -3.246 local terms energy: -409.212552 where: bonds (distance) C4'-P energy: -112.214 bonds (distance) P-C4' energy: -95.989 flat angles C4'-P-C4' energy: -86.759 flat angles P-C4'-P energy: -67.795 tors. eta vs tors. theta energy: -46.456 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: 10, replica: 4 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -719.107515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.107515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.107515 (E_RNA) where: Base-Base interactions energy: -351.047 where: short stacking energy: -184.517 Base-Backbone interact. energy: 0.481 local terms energy: -368.541085 where: bonds (distance) C4'-P energy: -108.349 bonds (distance) P-C4' energy: -104.725 flat angles C4'-P-C4' energy: -98.712 flat angles P-C4'-P energy: -69.127 tors. eta vs tors. theta energy: 12.373 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: 10 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -2279.768690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.768690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.768690 (E_RNA) where: Base-Base interactions energy: -1586.439 where: short stacking energy: -670.819 Base-Backbone interact. energy: -2.780 local terms energy: -690.549567 where: bonds (distance) C4'-P energy: -130.664 bonds (distance) P-C4' energy: -126.294 flat angles C4'-P-C4' energy: -140.096 flat angles P-C4'-P energy: -91.761 tors. eta vs tors. theta energy: -201.736 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: 2, replica: 6 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2176.344663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.344663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.344663 (E_RNA) where: Base-Base interactions energy: -1506.550 where: short stacking energy: -670.072 Base-Backbone interact. energy: -1.947 local terms energy: -667.848326 where: bonds (distance) C4'-P energy: -120.774 bonds (distance) P-C4' energy: -113.568 flat angles C4'-P-C4' energy: -146.116 flat angles P-C4'-P energy: -105.724 tors. eta vs tors. theta energy: -181.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2091.081066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.081066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.081066 (E_RNA) where: Base-Base interactions energy: -1430.155 where: short stacking energy: -617.011 Base-Backbone interact. energy: -4.005 local terms energy: -656.921260 where: bonds (distance) C4'-P energy: -111.738 bonds (distance) P-C4' energy: -120.164 flat angles C4'-P-C4' energy: -143.592 flat angles P-C4'-P energy: -91.567 tors. eta vs tors. theta energy: -189.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2019.185419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.185419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.185419 (E_RNA) where: Base-Base interactions energy: -1391.634 where: short stacking energy: -603.172 Base-Backbone interact. energy: -0.736 local terms energy: -626.814913 where: bonds (distance) C4'-P energy: -127.030 bonds (distance) P-C4' energy: -109.166 flat angles C4'-P-C4' energy: -124.428 flat angles P-C4'-P energy: -97.547 tors. eta vs tors. theta energy: -168.644 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: 5, replica: 7 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1879.024417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.024417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.024417 (E_RNA) where: Base-Base interactions energy: -1356.273 where: short stacking energy: -571.335 Base-Backbone interact. energy: 0.418 local terms energy: -523.169029 where: bonds (distance) C4'-P energy: -86.250 bonds (distance) P-C4' energy: -99.841 flat angles C4'-P-C4' energy: -119.325 flat angles P-C4'-P energy: -75.867 tors. eta vs tors. theta energy: -141.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1861.087765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.087765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.087765 (E_RNA) where: Base-Base interactions energy: -1302.832 where: short stacking energy: -562.760 Base-Backbone interact. energy: -1.924 local terms energy: -556.331781 where: bonds (distance) C4'-P energy: -110.670 bonds (distance) P-C4' energy: -105.921 flat angles C4'-P-C4' energy: -127.633 flat angles P-C4'-P energy: -58.834 tors. eta vs tors. theta energy: -153.274 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: 1 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1530.100543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.100543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.100543 (E_RNA) where: Base-Base interactions energy: -994.890 where: short stacking energy: -443.517 Base-Backbone interact. energy: -1.377 local terms energy: -533.833246 where: bonds (distance) C4'-P energy: -106.818 bonds (distance) P-C4' energy: -106.591 flat angles C4'-P-C4' energy: -117.754 flat angles P-C4'-P energy: -88.467 tors. eta vs tors. theta energy: -114.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1237.493473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.493473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.493473 (E_RNA) where: Base-Base interactions energy: -802.388 where: short stacking energy: -375.793 Base-Backbone interact. energy: -2.148 local terms energy: -432.957425 where: bonds (distance) C4'-P energy: -83.700 bonds (distance) P-C4' energy: -109.386 flat angles C4'-P-C4' energy: -104.990 flat angles P-C4'-P energy: -66.483 tors. eta vs tors. theta energy: -68.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1048.431538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.431538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.431538 (E_RNA) where: Base-Base interactions energy: -645.610 where: short stacking energy: -322.806 Base-Backbone interact. energy: 0.520 local terms energy: -403.341170 where: bonds (distance) C4'-P energy: -86.464 bonds (distance) P-C4' energy: -93.185 flat angles C4'-P-C4' energy: -108.022 flat angles P-C4'-P energy: -50.593 tors. eta vs tors. theta energy: -65.077 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: 4 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -780.144595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.144595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.144595 (E_RNA) where: Base-Base interactions energy: -426.390 where: short stacking energy: -229.258 Base-Backbone interact. energy: -0.908 local terms energy: -352.846543 where: bonds (distance) C4'-P energy: -105.604 bonds (distance) P-C4' energy: -88.889 flat angles C4'-P-C4' energy: -87.658 flat angles P-C4'-P energy: -41.400 tors. eta vs tors. theta energy: -29.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2265.086637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.086637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.086637 (E_RNA) where: Base-Base interactions energy: -1600.710 where: short stacking energy: -663.936 Base-Backbone interact. energy: -0.350 local terms energy: -664.026764 where: bonds (distance) C4'-P energy: -117.334 bonds (distance) P-C4' energy: -123.367 flat angles C4'-P-C4' energy: -138.208 flat angles P-C4'-P energy: -86.363 tors. eta vs tors. theta energy: -198.754 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: 6 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2169.960667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.960667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.960667 (E_RNA) where: Base-Base interactions energy: -1506.880 where: short stacking energy: -665.474 Base-Backbone interact. energy: 0.731 local terms energy: -663.812135 where: bonds (distance) C4'-P energy: -108.837 bonds (distance) P-C4' energy: -118.859 flat angles C4'-P-C4' energy: -142.233 flat angles P-C4'-P energy: -107.663 tors. eta vs tors. theta energy: -186.220 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: 2 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2090.996166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.996166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.996166 (E_RNA) where: Base-Base interactions energy: -1448.409 where: short stacking energy: -663.123 Base-Backbone interact. energy: -1.073 local terms energy: -641.514157 where: bonds (distance) C4'-P energy: -126.738 bonds (distance) P-C4' energy: -117.029 flat angles C4'-P-C4' energy: -129.779 flat angles P-C4'-P energy: -81.444 tors. eta vs tors. theta energy: -186.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2017.397000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.397000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.397000 (E_RNA) where: Base-Base interactions energy: -1408.875 where: short stacking energy: -609.889 Base-Backbone interact. energy: 0.327 local terms energy: -608.849479 where: bonds (distance) C4'-P energy: -125.702 bonds (distance) P-C4' energy: -102.365 flat angles C4'-P-C4' energy: -137.066 flat angles P-C4'-P energy: -74.223 tors. eta vs tors. theta energy: -169.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1911.415431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.415431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.415431 (E_RNA) where: Base-Base interactions energy: -1345.244 where: short stacking energy: -548.668 Base-Backbone interact. energy: 0.757 local terms energy: -566.929077 where: bonds (distance) C4'-P energy: -95.580 bonds (distance) P-C4' energy: -104.317 flat angles C4'-P-C4' energy: -119.315 flat angles P-C4'-P energy: -92.068 tors. eta vs tors. theta energy: -155.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1837.505659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.505659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.505659 (E_RNA) where: Base-Base interactions energy: -1289.029 where: short stacking energy: -521.976 Base-Backbone interact. energy: 2.048 local terms energy: -550.524326 where: bonds (distance) C4'-P energy: -111.105 bonds (distance) P-C4' energy: -109.080 flat angles C4'-P-C4' energy: -128.013 flat angles P-C4'-P energy: -68.057 tors. eta vs tors. theta energy: -134.270 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: 1 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1572.921777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.921777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.921777 (E_RNA) where: Base-Base interactions energy: -1064.881 where: short stacking energy: -467.564 Base-Backbone interact. energy: -1.309 local terms energy: -506.731624 where: bonds (distance) C4'-P energy: -100.483 bonds (distance) P-C4' energy: -106.532 flat angles C4'-P-C4' energy: -118.053 flat angles P-C4'-P energy: -65.877 tors. eta vs tors. theta energy: -115.787 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: 8 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1242.521628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.521628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.521628 (E_RNA) where: Base-Base interactions energy: -779.461 where: short stacking energy: -372.594 Base-Backbone interact. energy: -2.329 local terms energy: -460.731643 where: bonds (distance) C4'-P energy: -87.828 bonds (distance) P-C4' energy: -96.627 flat angles C4'-P-C4' energy: -115.424 flat angles P-C4'-P energy: -75.393 tors. eta vs tors. theta energy: -85.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -930.469388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.469388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.469388 (E_RNA) where: Base-Base interactions energy: -596.637 where: short stacking energy: -304.801 Base-Backbone interact. energy: 8.564 local terms energy: -342.395905 where: bonds (distance) C4'-P energy: -99.029 bonds (distance) P-C4' energy: -97.740 flat angles C4'-P-C4' energy: -70.972 flat angles P-C4'-P energy: -29.761 tors. eta vs tors. theta energy: -44.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -732.020969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.020969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.020969 (E_RNA) where: Base-Base interactions energy: -371.839 where: short stacking energy: -197.023 Base-Backbone interact. energy: 2.638 local terms energy: -362.819569 where: bonds (distance) C4'-P energy: -93.965 bonds (distance) P-C4' energy: -97.575 flat angles C4'-P-C4' energy: -98.827 flat angles P-C4'-P energy: -55.884 tors. eta vs tors. theta energy: -16.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2279.187524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.187524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.187524 (E_RNA) where: Base-Base interactions energy: -1603.723 where: short stacking energy: -660.034 Base-Backbone interact. energy: -1.035 local terms energy: -674.430074 where: bonds (distance) C4'-P energy: -120.484 bonds (distance) P-C4' energy: -118.545 flat angles C4'-P-C4' energy: -137.257 flat angles P-C4'-P energy: -94.872 tors. eta vs tors. theta energy: -203.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2195.410281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.410281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.410281 (E_RNA) where: Base-Base interactions energy: -1524.347 where: short stacking energy: -660.504 Base-Backbone interact. energy: -1.693 local terms energy: -669.369708 where: bonds (distance) C4'-P energy: -126.054 bonds (distance) P-C4' energy: -115.852 flat angles C4'-P-C4' energy: -141.863 flat angles P-C4'-P energy: -91.117 tors. eta vs tors. theta energy: -194.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2090.786903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.786903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.786903 (E_RNA) where: Base-Base interactions energy: -1456.086 where: short stacking energy: -628.844 Base-Backbone interact. energy: -2.923 local terms energy: -631.778138 where: bonds (distance) C4'-P energy: -105.080 bonds (distance) P-C4' energy: -118.698 flat angles C4'-P-C4' energy: -141.635 flat angles P-C4'-P energy: -89.169 tors. eta vs tors. theta energy: -177.197 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: 5 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1973.235464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.235464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.235464 (E_RNA) where: Base-Base interactions energy: -1390.016 where: short stacking energy: -581.731 Base-Backbone interact. energy: -0.534 local terms energy: -582.685394 where: bonds (distance) C4'-P energy: -114.943 bonds (distance) P-C4' energy: -102.615 flat angles C4'-P-C4' energy: -130.354 flat angles P-C4'-P energy: -83.113 tors. eta vs tors. theta energy: -151.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1874.127440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.127440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.127440 (E_RNA) where: Base-Base interactions energy: -1302.708 where: short stacking energy: -551.517 Base-Backbone interact. energy: -1.370 local terms energy: -570.050057 where: bonds (distance) C4'-P energy: -108.044 bonds (distance) P-C4' energy: -117.326 flat angles C4'-P-C4' energy: -116.968 flat angles P-C4'-P energy: -79.012 tors. eta vs tors. theta energy: -148.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1732.859143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.859143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.859143 (E_RNA) where: Base-Base interactions energy: -1214.471 where: short stacking energy: -508.335 Base-Backbone interact. energy: -0.826 local terms energy: -517.562147 where: bonds (distance) C4'-P energy: -105.612 bonds (distance) P-C4' energy: -100.949 flat angles C4'-P-C4' energy: -117.752 flat angles P-C4'-P energy: -52.935 tors. eta vs tors. theta energy: -140.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1534.816880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.816880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.816880 (E_RNA) where: Base-Base interactions energy: -1056.290 where: short stacking energy: -453.500 Base-Backbone interact. energy: -0.828 local terms energy: -477.698938 where: bonds (distance) C4'-P energy: -93.245 bonds (distance) P-C4' energy: -97.550 flat angles C4'-P-C4' energy: -114.324 flat angles P-C4'-P energy: -66.663 tors. eta vs tors. theta energy: -105.917 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: 8, replica: 8 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1253.897059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.897059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.897059 (E_RNA) where: Base-Base interactions energy: -796.444 where: short stacking energy: -360.608 Base-Backbone interact. energy: 2.430 local terms energy: -459.882793 where: bonds (distance) C4'-P energy: -95.395 bonds (distance) P-C4' energy: -117.288 flat angles C4'-P-C4' energy: -104.328 flat angles P-C4'-P energy: -67.078 tors. eta vs tors. theta energy: -75.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -981.316324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.316324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.316324 (E_RNA) where: Base-Base interactions energy: -585.709 where: short stacking energy: -313.742 Base-Backbone interact. energy: 3.665 local terms energy: -399.272345 where: bonds (distance) C4'-P energy: -105.904 bonds (distance) P-C4' energy: -91.626 flat angles C4'-P-C4' energy: -98.161 flat angles P-C4'-P energy: -60.574 tors. eta vs tors. theta energy: -43.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -700.529472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.529472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.529472 (E_RNA) where: Base-Base interactions energy: -361.542 where: short stacking energy: -177.427 Base-Backbone interact. energy: 0.295 local terms energy: -339.282054 where: bonds (distance) C4'-P energy: -97.540 bonds (distance) P-C4' energy: -110.394 flat angles C4'-P-C4' energy: -68.961 flat angles P-C4'-P energy: -61.875 tors. eta vs tors. theta energy: -0.512 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: 10 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -2290.853210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.853210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.853210 (E_RNA) where: Base-Base interactions energy: -1615.383 where: short stacking energy: -675.128 Base-Backbone interact. energy: -2.329 local terms energy: -673.140653 where: bonds (distance) C4'-P energy: -109.272 bonds (distance) P-C4' energy: -114.156 flat angles C4'-P-C4' energy: -150.528 flat angles P-C4'-P energy: -95.584 tors. eta vs tors. theta energy: -203.600 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: 6 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2160.774889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.774889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.774889 (E_RNA) where: Base-Base interactions energy: -1543.283 where: short stacking energy: -644.354 Base-Backbone interact. energy: 0.988 local terms energy: -618.479578 where: bonds (distance) C4'-P energy: -106.755 bonds (distance) P-C4' energy: -101.166 flat angles C4'-P-C4' energy: -139.411 flat angles P-C4'-P energy: -88.879 tors. eta vs tors. theta energy: -182.269 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: 3, replica: 2 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2087.781548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.781548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.781548 (E_RNA) where: Base-Base interactions energy: -1447.202 where: short stacking energy: -639.655 Base-Backbone interact. energy: -0.353 local terms energy: -640.226913 where: bonds (distance) C4'-P energy: -99.911 bonds (distance) P-C4' energy: -124.964 flat angles C4'-P-C4' energy: -132.406 flat angles P-C4'-P energy: -93.487 tors. eta vs tors. theta energy: -189.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1979.413167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.413167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.413167 (E_RNA) where: Base-Base interactions energy: -1389.376 where: short stacking energy: -566.090 Base-Backbone interact. energy: -3.422 local terms energy: -586.615507 where: bonds (distance) C4'-P energy: -100.910 bonds (distance) P-C4' energy: -104.820 flat angles C4'-P-C4' energy: -136.359 flat angles P-C4'-P energy: -84.601 tors. eta vs tors. theta energy: -159.926 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: 7 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1888.507632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.507632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.507632 (E_RNA) where: Base-Base interactions energy: -1307.380 where: short stacking energy: -577.662 Base-Backbone interact. energy: -2.016 local terms energy: -579.111472 where: bonds (distance) C4'-P energy: -111.854 bonds (distance) P-C4' energy: -106.024 flat angles C4'-P-C4' energy: -129.359 flat angles P-C4'-P energy: -84.451 tors. eta vs tors. theta energy: -147.424 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: 3 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1808.244853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.244853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.244853 (E_RNA) where: Base-Base interactions energy: -1249.095 where: short stacking energy: -536.016 Base-Backbone interact. energy: 0.074 local terms energy: -559.224168 where: bonds (distance) C4'-P energy: -103.691 bonds (distance) P-C4' energy: -115.964 flat angles C4'-P-C4' energy: -119.290 flat angles P-C4'-P energy: -69.453 tors. eta vs tors. theta energy: -150.825 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: 1 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1506.871314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.871314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.871314 (E_RNA) where: Base-Base interactions energy: -992.970 where: short stacking energy: -454.757 Base-Backbone interact. energy: -2.218 local terms energy: -511.684086 where: bonds (distance) C4'-P energy: -99.904 bonds (distance) P-C4' energy: -105.966 flat angles C4'-P-C4' energy: -119.821 flat angles P-C4'-P energy: -64.185 tors. eta vs tors. theta energy: -121.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1289.139931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.139931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.139931 (E_RNA) where: Base-Base interactions energy: -827.210 where: short stacking energy: -396.741 Base-Backbone interact. energy: 0.849 local terms energy: -462.778958 where: bonds (distance) C4'-P energy: -118.545 bonds (distance) P-C4' energy: -102.933 flat angles C4'-P-C4' energy: -103.686 flat angles P-C4'-P energy: -58.190 tors. eta vs tors. theta energy: -79.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -983.689592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.689592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.689592 (E_RNA) where: Base-Base interactions energy: -592.644 where: short stacking energy: -295.322 Base-Backbone interact. energy: 1.108 local terms energy: -392.153802 where: bonds (distance) C4'-P energy: -82.128 bonds (distance) P-C4' energy: -107.613 flat angles C4'-P-C4' energy: -92.084 flat angles P-C4'-P energy: -55.172 tors. eta vs tors. theta energy: -55.158 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: 4 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -807.521512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.521512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.521512 (E_RNA) where: Base-Base interactions energy: -443.856 where: short stacking energy: -238.501 Base-Backbone interact. energy: 4.694 local terms energy: -368.359919 where: bonds (distance) C4'-P energy: -101.043 bonds (distance) P-C4' energy: -108.602 flat angles C4'-P-C4' energy: -87.112 flat angles P-C4'-P energy: -45.985 tors. eta vs tors. theta energy: -25.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -2270.874807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.874807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.874807 (E_RNA) where: Base-Base interactions energy: -1597.156 where: short stacking energy: -657.453 Base-Backbone interact. energy: -3.963 local terms energy: -669.755405 where: bonds (distance) C4'-P energy: -113.920 bonds (distance) P-C4' energy: -125.737 flat angles C4'-P-C4' energy: -139.892 flat angles P-C4'-P energy: -96.156 tors. eta vs tors. theta energy: -194.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2168.098205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.098205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.098205 (E_RNA) where: Base-Base interactions energy: -1509.465 where: short stacking energy: -634.305 Base-Backbone interact. energy: -3.377 local terms energy: -655.255773 where: bonds (distance) C4'-P energy: -120.668 bonds (distance) P-C4' energy: -123.910 flat angles C4'-P-C4' energy: -135.101 flat angles P-C4'-P energy: -84.740 tors. eta vs tors. theta energy: -190.836 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: 2 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2079.880672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.880672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.880672 (E_RNA) where: Base-Base interactions energy: -1456.644 where: short stacking energy: -611.322 Base-Backbone interact. energy: -3.648 local terms energy: -619.588376 where: bonds (distance) C4'-P energy: -122.922 bonds (distance) P-C4' energy: -114.651 flat angles C4'-P-C4' energy: -139.171 flat angles P-C4'-P energy: -63.559 tors. eta vs tors. theta energy: -179.286 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: 4, replica: 5 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1966.551396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.551396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.551396 (E_RNA) where: Base-Base interactions energy: -1377.641 where: short stacking energy: -583.604 Base-Backbone interact. energy: 2.762 local terms energy: -591.671643 where: bonds (distance) C4'-P energy: -112.134 bonds (distance) P-C4' energy: -109.934 flat angles C4'-P-C4' energy: -131.129 flat angles P-C4'-P energy: -73.748 tors. eta vs tors. theta energy: -164.727 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: 7 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1859.553445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.553445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.553445 (E_RNA) where: Base-Base interactions energy: -1319.173 where: short stacking energy: -574.912 Base-Backbone interact. energy: -3.326 local terms energy: -537.054503 where: bonds (distance) C4'-P energy: -96.667 bonds (distance) P-C4' energy: -97.237 flat angles C4'-P-C4' energy: -121.810 flat angles P-C4'-P energy: -69.436 tors. eta vs tors. theta energy: -151.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1845.887186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.887186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.887186 (E_RNA) where: Base-Base interactions energy: -1284.388 where: short stacking energy: -534.878 Base-Backbone interact. energy: -2.036 local terms energy: -559.462655 where: bonds (distance) C4'-P energy: -104.146 bonds (distance) P-C4' energy: -115.738 flat angles C4'-P-C4' energy: -117.913 flat angles P-C4'-P energy: -68.872 tors. eta vs tors. theta energy: -152.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1547.147188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.147188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.147188 (E_RNA) where: Base-Base interactions energy: -1035.772 where: short stacking energy: -470.446 Base-Backbone interact. energy: -2.021 local terms energy: -509.354026 where: bonds (distance) C4'-P energy: -103.175 bonds (distance) P-C4' energy: -96.449 flat angles C4'-P-C4' energy: -111.013 flat angles P-C4'-P energy: -70.409 tors. eta vs tors. theta energy: -128.308 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: 8 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1246.017648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.017648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.017648 (E_RNA) where: Base-Base interactions energy: -803.215 where: short stacking energy: -354.899 Base-Backbone interact. energy: -3.497 local terms energy: -439.306162 where: bonds (distance) C4'-P energy: -107.312 bonds (distance) P-C4' energy: -95.155 flat angles C4'-P-C4' energy: -93.307 flat angles P-C4'-P energy: -68.859 tors. eta vs tors. theta energy: -74.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1064.320185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.320185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.320185 (E_RNA) where: Base-Base interactions energy: -661.194 where: short stacking energy: -345.757 Base-Backbone interact. energy: -4.170 local terms energy: -398.956432 where: bonds (distance) C4'-P energy: -100.892 bonds (distance) P-C4' energy: -97.360 flat angles C4'-P-C4' energy: -95.997 flat angles P-C4'-P energy: -49.892 tors. eta vs tors. theta energy: -54.816 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: 10, replica: 4 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -790.121366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.121366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.121366 (E_RNA) where: Base-Base interactions energy: -471.081 where: short stacking energy: -240.418 Base-Backbone interact. energy: 6.274 local terms energy: -325.313844 where: bonds (distance) C4'-P energy: -93.294 bonds (distance) P-C4' energy: -84.950 flat angles C4'-P-C4' energy: -90.167 flat angles P-C4'-P energy: -48.051 tors. eta vs tors. theta energy: -8.851 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: 10 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -2246.850688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.850688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.850688 (E_RNA) where: Base-Base interactions energy: -1568.284 where: short stacking energy: -639.730 Base-Backbone interact. energy: -3.000 local terms energy: -675.566535 where: bonds (distance) C4'-P energy: -124.801 bonds (distance) P-C4' energy: -122.587 flat angles C4'-P-C4' energy: -143.680 flat angles P-C4'-P energy: -97.050 tors. eta vs tors. theta energy: -187.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2200.541696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.541696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.541696 (E_RNA) where: Base-Base interactions energy: -1534.668 where: short stacking energy: -646.420 Base-Backbone interact. energy: -1.685 local terms energy: -664.189011 where: bonds (distance) C4'-P energy: -130.189 bonds (distance) P-C4' energy: -125.156 flat angles C4'-P-C4' energy: -125.782 flat angles P-C4'-P energy: -95.206 tors. eta vs tors. theta energy: -187.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2079.849298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.849298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.849298 (E_RNA) where: Base-Base interactions energy: -1481.452 where: short stacking energy: -634.605 Base-Backbone interact. energy: -3.870 local terms energy: -594.526975 where: bonds (distance) C4'-P energy: -93.585 bonds (distance) P-C4' energy: -120.015 flat angles C4'-P-C4' energy: -127.294 flat angles P-C4'-P energy: -77.723 tors. eta vs tors. theta energy: -175.911 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: 5 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1977.609555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.609555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.609555 (E_RNA) where: Base-Base interactions energy: -1362.967 where: short stacking energy: -594.491 Base-Backbone interact. energy: -2.668 local terms energy: -611.974045 where: bonds (distance) C4'-P energy: -112.353 bonds (distance) P-C4' energy: -113.342 flat angles C4'-P-C4' energy: -140.752 flat angles P-C4'-P energy: -74.916 tors. eta vs tors. theta energy: -170.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1897.320008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.320008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.320008 (E_RNA) where: Base-Base interactions energy: -1323.938 where: short stacking energy: -570.013 Base-Backbone interact. energy: 0.041 local terms energy: -573.422166 where: bonds (distance) C4'-P energy: -108.745 bonds (distance) P-C4' energy: -103.552 flat angles C4'-P-C4' energy: -126.232 flat angles P-C4'-P energy: -76.781 tors. eta vs tors. theta energy: -158.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1827.378836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.378836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.378836 (E_RNA) where: Base-Base interactions energy: -1282.045 where: short stacking energy: -551.866 Base-Backbone interact. energy: 0.949 local terms energy: -546.282989 where: bonds (distance) C4'-P energy: -103.128 bonds (distance) P-C4' energy: -105.163 flat angles C4'-P-C4' energy: -121.738 flat angles P-C4'-P energy: -68.465 tors. eta vs tors. theta energy: -147.790 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: 7, replica: 1 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1569.196516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.196516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.196516 (E_RNA) where: Base-Base interactions energy: -1043.760 where: short stacking energy: -464.893 Base-Backbone interact. energy: -2.543 local terms energy: -522.893560 where: bonds (distance) C4'-P energy: -91.840 bonds (distance) P-C4' energy: -113.422 flat angles C4'-P-C4' energy: -115.897 flat angles P-C4'-P energy: -79.189 tors. eta vs tors. theta energy: -122.546 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: 8 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1258.030039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.030039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.030039 (E_RNA) where: Base-Base interactions energy: -842.312 where: short stacking energy: -397.015 Base-Backbone interact. energy: -1.590 local terms energy: -414.127591 where: bonds (distance) C4'-P energy: -91.923 bonds (distance) P-C4' energy: -97.708 flat angles C4'-P-C4' energy: -102.374 flat angles P-C4'-P energy: -53.440 tors. eta vs tors. theta energy: -68.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -995.922253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.922253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.922253 (E_RNA) where: Base-Base interactions energy: -604.480 where: short stacking energy: -322.581 Base-Backbone interact. energy: 0.339 local terms energy: -391.781459 where: bonds (distance) C4'-P energy: -85.128 bonds (distance) P-C4' energy: -114.216 flat angles C4'-P-C4' energy: -98.424 flat angles P-C4'-P energy: -45.659 tors. eta vs tors. theta energy: -48.354 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: 4 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -772.674097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.674097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.674097 (E_RNA) where: Base-Base interactions energy: -383.285 where: short stacking energy: -219.530 Base-Backbone interact. energy: -0.941 local terms energy: -388.447705 where: bonds (distance) C4'-P energy: -117.305 bonds (distance) P-C4' energy: -93.693 flat angles C4'-P-C4' energy: -92.106 flat angles P-C4'-P energy: -62.181 tors. eta vs tors. theta energy: -23.163 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: 10 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -2255.301651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.301651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.301651 (E_RNA) where: Base-Base interactions energy: -1579.893 where: short stacking energy: -676.735 Base-Backbone interact. energy: -0.133 local terms energy: -675.275364 where: bonds (distance) C4'-P energy: -118.255 bonds (distance) P-C4' energy: -121.073 flat angles C4'-P-C4' energy: -141.988 flat angles P-C4'-P energy: -94.081 tors. eta vs tors. theta energy: -199.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2182.539788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.539788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.539788 (E_RNA) where: Base-Base interactions energy: -1534.568 where: short stacking energy: -647.288 Base-Backbone interact. energy: -2.808 local terms energy: -645.164358 where: bonds (distance) C4'-P energy: -112.414 bonds (distance) P-C4' energy: -121.442 flat angles C4'-P-C4' energy: -132.787 flat angles P-C4'-P energy: -96.665 tors. eta vs tors. theta energy: -181.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2113.824359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.824359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.824359 (E_RNA) where: Base-Base interactions energy: -1481.246 where: short stacking energy: -637.781 Base-Backbone interact. energy: -6.094 local terms energy: -626.484445 where: bonds (distance) C4'-P energy: -107.480 bonds (distance) P-C4' energy: -111.088 flat angles C4'-P-C4' energy: -145.321 flat angles P-C4'-P energy: -86.070 tors. eta vs tors. theta energy: -176.525 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: 5 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1991.778128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.778128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.778128 (E_RNA) where: Base-Base interactions energy: -1396.279 where: short stacking energy: -570.573 Base-Backbone interact. energy: -3.568 local terms energy: -591.931367 where: bonds (distance) C4'-P energy: -107.008 bonds (distance) P-C4' energy: -112.089 flat angles C4'-P-C4' energy: -122.138 flat angles P-C4'-P energy: -85.323 tors. eta vs tors. theta energy: -165.374 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: 3 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1855.260729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.260729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.260729 (E_RNA) where: Base-Base interactions energy: -1281.583 where: short stacking energy: -535.213 Base-Backbone interact. energy: -1.802 local terms energy: -571.876634 where: bonds (distance) C4'-P energy: -105.341 bonds (distance) P-C4' energy: -108.296 flat angles C4'-P-C4' energy: -125.193 flat angles P-C4'-P energy: -81.909 tors. eta vs tors. theta energy: -151.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1869.923914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.923914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.923914 (E_RNA) where: Base-Base interactions energy: -1309.960 where: short stacking energy: -561.502 Base-Backbone interact. energy: -3.844 local terms energy: -556.119509 where: bonds (distance) C4'-P energy: -86.600 bonds (distance) P-C4' energy: -131.544 flat angles C4'-P-C4' energy: -112.481 flat angles P-C4'-P energy: -83.105 tors. eta vs tors. theta energy: -142.390 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: 1 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1622.391588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.391588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.391588 (E_RNA) where: Base-Base interactions energy: -1093.160 where: short stacking energy: -478.934 Base-Backbone interact. energy: -1.049 local terms energy: -528.183101 where: bonds (distance) C4'-P energy: -110.464 bonds (distance) P-C4' energy: -101.376 flat angles C4'-P-C4' energy: -116.112 flat angles P-C4'-P energy: -68.499 tors. eta vs tors. theta energy: -131.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1288.634986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.634986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.634986 (E_RNA) where: Base-Base interactions energy: -841.940 where: short stacking energy: -383.778 Base-Backbone interact. energy: 4.091 local terms energy: -450.785288 where: bonds (distance) C4'-P energy: -92.421 bonds (distance) P-C4' energy: -108.064 flat angles C4'-P-C4' energy: -109.023 flat angles P-C4'-P energy: -54.462 tors. eta vs tors. theta energy: -86.816 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: 9 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -994.827464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.827464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.827464 (E_RNA) where: Base-Base interactions energy: -605.764 where: short stacking energy: -284.497 Base-Backbone interact. energy: 6.238 local terms energy: -395.301676 where: bonds (distance) C4'-P energy: -95.030 bonds (distance) P-C4' energy: -98.625 flat angles C4'-P-C4' energy: -101.351 flat angles P-C4'-P energy: -71.635 tors. eta vs tors. theta energy: -28.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -764.740611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.740611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.740611 (E_RNA) where: Base-Base interactions energy: -413.163 where: short stacking energy: -216.121 Base-Backbone interact. energy: -0.745 local terms energy: -350.832901 where: bonds (distance) C4'-P energy: -81.000 bonds (distance) P-C4' energy: -101.138 flat angles C4'-P-C4' energy: -102.718 flat angles P-C4'-P energy: -56.019 tors. eta vs tors. theta energy: -9.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -2269.483982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.483982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.483982 (E_RNA) where: Base-Base interactions energy: -1596.651 where: short stacking energy: -648.697 Base-Backbone interact. energy: -2.120 local terms energy: -670.712898 where: bonds (distance) C4'-P energy: -135.840 bonds (distance) P-C4' energy: -113.189 flat angles C4'-P-C4' energy: -136.019 flat angles P-C4'-P energy: -89.820 tors. eta vs tors. theta energy: -195.844 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: 6 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2170.214789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.214789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.214789 (E_RNA) where: Base-Base interactions energy: -1524.273 where: short stacking energy: -634.270 Base-Backbone interact. energy: -1.723 local terms energy: -644.218740 where: bonds (distance) C4'-P energy: -120.475 bonds (distance) P-C4' energy: -111.661 flat angles C4'-P-C4' energy: -139.253 flat angles P-C4'-P energy: -93.844 tors. eta vs tors. theta energy: -178.985 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: 3, replica: 2 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2089.869630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.869630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.869630 (E_RNA) where: Base-Base interactions energy: -1447.288 where: short stacking energy: -618.501 Base-Backbone interact. energy: -4.428 local terms energy: -638.153568 where: bonds (distance) C4'-P energy: -111.640 bonds (distance) P-C4' energy: -121.291 flat angles C4'-P-C4' energy: -135.370 flat angles P-C4'-P energy: -92.593 tors. eta vs tors. theta energy: -177.259 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: 5 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2015.003745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.003745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.003745 (E_RNA) where: Base-Base interactions energy: -1381.515 where: short stacking energy: -580.324 Base-Backbone interact. energy: -3.059 local terms energy: -630.429704 where: bonds (distance) C4'-P energy: -121.176 bonds (distance) P-C4' energy: -124.713 flat angles C4'-P-C4' energy: -126.659 flat angles P-C4'-P energy: -87.107 tors. eta vs tors. theta energy: -170.775 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: 3 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1873.414732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.414732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.414732 (E_RNA) where: Base-Base interactions energy: -1293.868 where: short stacking energy: -565.533 Base-Backbone interact. energy: -1.351 local terms energy: -578.195252 where: bonds (distance) C4'-P energy: -109.170 bonds (distance) P-C4' energy: -111.224 flat angles C4'-P-C4' energy: -125.387 flat angles P-C4'-P energy: -68.073 tors. eta vs tors. theta energy: -164.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1830.269694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.269694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.269694 (E_RNA) where: Base-Base interactions energy: -1267.450 where: short stacking energy: -535.158 Base-Backbone interact. energy: -3.605 local terms energy: -559.214229 where: bonds (distance) C4'-P energy: -105.296 bonds (distance) P-C4' energy: -113.110 flat angles C4'-P-C4' energy: -124.892 flat angles P-C4'-P energy: -75.809 tors. eta vs tors. theta energy: -140.107 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: 7, replica: 1 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1640.490831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.490831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.490831 (E_RNA) where: Base-Base interactions energy: -1127.315 where: short stacking energy: -497.407 Base-Backbone interact. energy: -1.205 local terms energy: -511.970345 where: bonds (distance) C4'-P energy: -107.793 bonds (distance) P-C4' energy: -106.977 flat angles C4'-P-C4' energy: -113.561 flat angles P-C4'-P energy: -67.002 tors. eta vs tors. theta energy: -116.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1272.595266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.595266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.595266 (E_RNA) where: Base-Base interactions energy: -803.093 where: short stacking energy: -400.515 Base-Backbone interact. energy: -2.673 local terms energy: -466.828747 where: bonds (distance) C4'-P energy: -94.605 bonds (distance) P-C4' energy: -103.213 flat angles C4'-P-C4' energy: -111.739 flat angles P-C4'-P energy: -66.180 tors. eta vs tors. theta energy: -91.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -947.601327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.601327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.601327 (E_RNA) where: Base-Base interactions energy: -543.589 where: short stacking energy: -268.259 Base-Backbone interact. energy: -1.459 local terms energy: -402.554154 where: bonds (distance) C4'-P energy: -99.920 bonds (distance) P-C4' energy: -84.951 flat angles C4'-P-C4' energy: -111.425 flat angles P-C4'-P energy: -45.352 tors. eta vs tors. theta energy: -60.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -736.811859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.811859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.811859 (E_RNA) where: Base-Base interactions energy: -379.773 where: short stacking energy: -223.852 Base-Backbone interact. energy: -0.174 local terms energy: -356.864911 where: bonds (distance) C4'-P energy: -89.930 bonds (distance) P-C4' energy: -100.513 flat angles C4'-P-C4' energy: -96.403 flat angles P-C4'-P energy: -51.911 tors. eta vs tors. theta energy: -18.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -2261.074166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.074166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.074166 (E_RNA) where: Base-Base interactions energy: -1566.960 where: short stacking energy: -666.827 Base-Backbone interact. energy: -1.725 local terms energy: -692.388657 where: bonds (distance) C4'-P energy: -136.492 bonds (distance) P-C4' energy: -130.584 flat angles C4'-P-C4' energy: -128.895 flat angles P-C4'-P energy: -101.176 tors. eta vs tors. theta energy: -195.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2181.199899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.199899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.199899 (E_RNA) where: Base-Base interactions energy: -1503.018 where: short stacking energy: -639.315 Base-Backbone interact. energy: -2.791 local terms energy: -675.390339 where: bonds (distance) C4'-P energy: -120.939 bonds (distance) P-C4' energy: -134.625 flat angles C4'-P-C4' energy: -140.440 flat angles P-C4'-P energy: -91.666 tors. eta vs tors. theta energy: -187.720 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: 3, replica: 2 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2099.862068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.862068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.862068 (E_RNA) where: Base-Base interactions energy: -1449.920 where: short stacking energy: -597.277 Base-Backbone interact. energy: -1.008 local terms energy: -648.933956 where: bonds (distance) C4'-P energy: -110.018 bonds (distance) P-C4' energy: -127.884 flat angles C4'-P-C4' energy: -129.254 flat angles P-C4'-P energy: -95.686 tors. eta vs tors. theta energy: -186.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1980.680399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.680399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.680399 (E_RNA) where: Base-Base interactions energy: -1394.364 where: short stacking energy: -589.060 Base-Backbone interact. energy: -3.554 local terms energy: -582.762429 where: bonds (distance) C4'-P energy: -107.673 bonds (distance) P-C4' energy: -105.648 flat angles C4'-P-C4' energy: -129.830 flat angles P-C4'-P energy: -79.905 tors. eta vs tors. theta energy: -159.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1938.254268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.254268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.254268 (E_RNA) where: Base-Base interactions energy: -1323.098 where: short stacking energy: -558.338 Base-Backbone interact. energy: 2.175 local terms energy: -617.331761 where: bonds (distance) C4'-P energy: -111.399 bonds (distance) P-C4' energy: -116.082 flat angles C4'-P-C4' energy: -134.870 flat angles P-C4'-P energy: -86.758 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: 6, replica: 7 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1843.947072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.947072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.947072 (E_RNA) where: Base-Base interactions energy: -1272.150 where: short stacking energy: -538.937 Base-Backbone interact. energy: -5.368 local terms energy: -566.429660 where: bonds (distance) C4'-P energy: -112.049 bonds (distance) P-C4' energy: -109.281 flat angles C4'-P-C4' energy: -123.223 flat angles P-C4'-P energy: -80.012 tors. eta vs tors. theta energy: -141.865 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: 1 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1609.471437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.471437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.471437 (E_RNA) where: Base-Base interactions energy: -1101.229 where: short stacking energy: -472.693 Base-Backbone interact. energy: -0.176 local terms energy: -508.066584 where: bonds (distance) C4'-P energy: -108.405 bonds (distance) P-C4' energy: -107.600 flat angles C4'-P-C4' energy: -109.038 flat angles P-C4'-P energy: -71.760 tors. eta vs tors. theta energy: -111.263 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: 8 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1269.495970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.495970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.495970 (E_RNA) where: Base-Base interactions energy: -814.820 where: short stacking energy: -377.054 Base-Backbone interact. energy: -1.327 local terms energy: -453.349236 where: bonds (distance) C4'-P energy: -108.236 bonds (distance) P-C4' energy: -102.958 flat angles C4'-P-C4' energy: -98.517 flat angles P-C4'-P energy: -66.042 tors. eta vs tors. theta energy: -77.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -987.973385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.973385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.973385 (E_RNA) where: Base-Base interactions energy: -588.249 where: short stacking energy: -269.963 Base-Backbone interact. energy: -2.942 local terms energy: -396.782309 where: bonds (distance) C4'-P energy: -101.021 bonds (distance) P-C4' energy: -108.773 flat angles C4'-P-C4' energy: -110.986 flat angles P-C4'-P energy: -45.114 tors. eta vs tors. theta energy: -30.889 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: 10, replica: 4 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -720.652129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.652129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.652129 (E_RNA) where: Base-Base interactions energy: -363.766 where: short stacking energy: -206.737 Base-Backbone interact. energy: 3.033 local terms energy: -359.919516 where: bonds (distance) C4'-P energy: -93.850 bonds (distance) P-C4' energy: -95.018 flat angles C4'-P-C4' energy: -72.206 flat angles P-C4'-P energy: -67.932 tors. eta vs tors. theta energy: -30.913 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: 10 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2282.305585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.305585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.305585 (E_RNA) where: Base-Base interactions energy: -1599.859 where: short stacking energy: -659.222 Base-Backbone interact. energy: -1.745 local terms energy: -680.701124 where: bonds (distance) C4'-P energy: -128.898 bonds (distance) P-C4' energy: -127.868 flat angles C4'-P-C4' energy: -135.174 flat angles P-C4'-P energy: -92.430 tors. eta vs tors. theta energy: -196.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2160.896736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.896736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.896736 (E_RNA) where: Base-Base interactions energy: -1506.276 where: short stacking energy: -638.142 Base-Backbone interact. energy: -1.591 local terms energy: -653.030428 where: bonds (distance) C4'-P energy: -113.472 bonds (distance) P-C4' energy: -110.426 flat angles C4'-P-C4' energy: -145.886 flat angles P-C4'-P energy: -95.165 tors. eta vs tors. theta energy: -188.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2097.519482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.519482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.519482 (E_RNA) where: Base-Base interactions energy: -1474.132 where: short stacking energy: -605.551 Base-Backbone interact. energy: -0.339 local terms energy: -623.048370 where: bonds (distance) C4'-P energy: -109.683 bonds (distance) P-C4' energy: -121.478 flat angles C4'-P-C4' energy: -129.968 flat angles P-C4'-P energy: -85.751 tors. eta vs tors. theta energy: -176.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1993.640914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.640914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.640914 (E_RNA) where: Base-Base interactions energy: -1384.998 where: short stacking energy: -593.926 Base-Backbone interact. energy: -2.148 local terms energy: -606.495656 where: bonds (distance) C4'-P energy: -115.813 bonds (distance) P-C4' energy: -120.908 flat angles C4'-P-C4' energy: -136.894 flat angles P-C4'-P energy: -70.108 tors. eta vs tors. theta energy: -162.772 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: 3 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1897.749911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.749911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.749911 (E_RNA) where: Base-Base interactions energy: -1316.530 where: short stacking energy: -571.658 Base-Backbone interact. energy: -2.533 local terms energy: -578.686932 where: bonds (distance) C4'-P energy: -92.284 bonds (distance) P-C4' energy: -115.285 flat angles C4'-P-C4' energy: -137.913 flat angles P-C4'-P energy: -70.599 tors. eta vs tors. theta energy: -162.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1833.093207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.093207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.093207 (E_RNA) where: Base-Base interactions energy: -1262.235 where: short stacking energy: -542.396 Base-Backbone interact. energy: -4.097 local terms energy: -566.761154 where: bonds (distance) C4'-P energy: -111.576 bonds (distance) P-C4' energy: -109.572 flat angles C4'-P-C4' energy: -121.679 flat angles P-C4'-P energy: -82.382 tors. eta vs tors. theta energy: -141.553 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: 1 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1595.532224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.532224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.532224 (E_RNA) where: Base-Base interactions energy: -1044.906 where: short stacking energy: -446.279 Base-Backbone interact. energy: 0.599 local terms energy: -551.224793 where: bonds (distance) C4'-P energy: -100.465 bonds (distance) P-C4' energy: -123.585 flat angles C4'-P-C4' energy: -130.070 flat angles P-C4'-P energy: -71.995 tors. eta vs tors. theta energy: -125.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1241.856352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.856352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.856352 (E_RNA) where: Base-Base interactions energy: -793.553 where: short stacking energy: -361.240 Base-Backbone interact. energy: -2.343 local terms energy: -445.960296 where: bonds (distance) C4'-P energy: -114.662 bonds (distance) P-C4' energy: -92.251 flat angles C4'-P-C4' energy: -101.119 flat angles P-C4'-P energy: -64.397 tors. eta vs tors. theta energy: -73.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -951.857574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.857574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.857574 (E_RNA) where: Base-Base interactions energy: -561.373 where: short stacking energy: -263.960 Base-Backbone interact. energy: -3.761 local terms energy: -386.723894 where: bonds (distance) C4'-P energy: -99.435 bonds (distance) P-C4' energy: -93.706 flat angles C4'-P-C4' energy: -104.822 flat angles P-C4'-P energy: -63.006 tors. eta vs tors. theta energy: -25.756 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: 4 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -798.428459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.428459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.428459 (E_RNA) where: Base-Base interactions energy: -438.522 where: short stacking energy: -236.253 Base-Backbone interact. energy: -4.019 local terms energy: -355.887275 where: bonds (distance) C4'-P energy: -91.648 bonds (distance) P-C4' energy: -113.657 flat angles C4'-P-C4' energy: -98.596 flat angles P-C4'-P energy: -44.201 tors. eta vs tors. theta energy: -7.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -2257.333293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.333293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.333293 (E_RNA) where: Base-Base interactions energy: -1582.195 where: short stacking energy: -665.696 Base-Backbone interact. energy: 0.140 local terms energy: -675.278455 where: bonds (distance) C4'-P energy: -111.571 bonds (distance) P-C4' energy: -114.056 flat angles C4'-P-C4' energy: -141.461 flat angles P-C4'-P energy: -94.237 tors. eta vs tors. theta energy: -213.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2173.519907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.519907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.519907 (E_RNA) where: Base-Base interactions energy: -1530.052 where: short stacking energy: -638.468 Base-Backbone interact. energy: 0.408 local terms energy: -643.876111 where: bonds (distance) C4'-P energy: -118.822 bonds (distance) P-C4' energy: -114.433 flat angles C4'-P-C4' energy: -139.221 flat angles P-C4'-P energy: -85.900 tors. eta vs tors. theta energy: -185.500 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: 3, replica: 2 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2094.792984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.792984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.792984 (E_RNA) where: Base-Base interactions energy: -1476.291 where: short stacking energy: -581.588 Base-Backbone interact. energy: -4.770 local terms energy: -613.731923 where: bonds (distance) C4'-P energy: -115.307 bonds (distance) P-C4' energy: -111.243 flat angles C4'-P-C4' energy: -126.412 flat angles P-C4'-P energy: -90.802 tors. eta vs tors. theta energy: -169.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1988.235019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.235019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.235019 (E_RNA) where: Base-Base interactions energy: -1383.215 where: short stacking energy: -573.427 Base-Backbone interact. energy: -3.346 local terms energy: -601.673963 where: bonds (distance) C4'-P energy: -114.666 bonds (distance) P-C4' energy: -110.238 flat angles C4'-P-C4' energy: -131.914 flat angles P-C4'-P energy: -82.345 tors. eta vs tors. theta energy: -162.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1933.555465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.555465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.555465 (E_RNA) where: Base-Base interactions energy: -1324.418 where: short stacking energy: -548.018 Base-Backbone interact. energy: -1.057 local terms energy: -608.079834 where: bonds (distance) C4'-P energy: -105.757 bonds (distance) P-C4' energy: -110.858 flat angles C4'-P-C4' energy: -137.970 flat angles P-C4'-P energy: -82.597 tors. eta vs tors. theta energy: -170.898 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: 6, replica: 7 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1839.149578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.149578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.149578 (E_RNA) where: Base-Base interactions energy: -1282.607 where: short stacking energy: -551.144 Base-Backbone interact. energy: -1.345 local terms energy: -555.198476 where: bonds (distance) C4'-P energy: -97.234 bonds (distance) P-C4' energy: -104.172 flat angles C4'-P-C4' energy: -122.401 flat angles P-C4'-P energy: -78.514 tors. eta vs tors. theta energy: -152.878 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: 1 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1542.608890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.608890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.608890 (E_RNA) where: Base-Base interactions energy: -1017.375 where: short stacking energy: -456.453 Base-Backbone interact. energy: -3.109 local terms energy: -522.124432 where: bonds (distance) C4'-P energy: -103.918 bonds (distance) P-C4' energy: -111.811 flat angles C4'-P-C4' energy: -118.902 flat angles P-C4'-P energy: -70.175 tors. eta vs tors. theta energy: -117.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1244.817567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.817567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.817567 (E_RNA) where: Base-Base interactions energy: -801.143 where: short stacking energy: -359.081 Base-Backbone interact. energy: 3.402 local terms energy: -447.076588 where: bonds (distance) C4'-P energy: -92.528 bonds (distance) P-C4' energy: -106.039 flat angles C4'-P-C4' energy: -111.763 flat angles P-C4'-P energy: -66.366 tors. eta vs tors. theta energy: -70.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -960.260917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.260917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.260917 (E_RNA) where: Base-Base interactions energy: -572.596 where: short stacking energy: -275.868 Base-Backbone interact. energy: 4.283 local terms energy: -391.948209 where: bonds (distance) C4'-P energy: -101.299 bonds (distance) P-C4' energy: -100.376 flat angles C4'-P-C4' energy: -87.667 flat angles P-C4'-P energy: -70.199 tors. eta vs tors. theta energy: -32.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -761.391616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.391616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.391616 (E_RNA) where: Base-Base interactions energy: -395.641 where: short stacking energy: -213.379 Base-Backbone interact. energy: -2.215 local terms energy: -363.535912 where: bonds (distance) C4'-P energy: -84.727 bonds (distance) P-C4' energy: -124.180 flat angles C4'-P-C4' energy: -79.690 flat angles P-C4'-P energy: -57.731 tors. eta vs tors. theta energy: -17.209 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: 10 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -2270.223136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.223136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.223136 (E_RNA) where: Base-Base interactions energy: -1566.223 where: short stacking energy: -655.948 Base-Backbone interact. energy: -3.992 local terms energy: -700.007988 where: bonds (distance) C4'-P energy: -129.197 bonds (distance) P-C4' energy: -136.029 flat angles C4'-P-C4' energy: -144.930 flat angles P-C4'-P energy: -90.722 tors. eta vs tors. theta energy: -199.130 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: 2, replica: 6 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2173.331326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.331326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.331326 (E_RNA) where: Base-Base interactions energy: -1530.761 where: short stacking energy: -628.946 Base-Backbone interact. energy: -2.809 local terms energy: -639.760938 where: bonds (distance) C4'-P energy: -117.941 bonds (distance) P-C4' energy: -114.655 flat angles C4'-P-C4' energy: -140.894 flat angles P-C4'-P energy: -95.973 tors. eta vs tors. theta energy: -170.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2108.694519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.694519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.694519 (E_RNA) where: Base-Base interactions energy: -1473.863 where: short stacking energy: -619.849 Base-Backbone interact. energy: -7.444 local terms energy: -627.387898 where: bonds (distance) C4'-P energy: -112.117 bonds (distance) P-C4' energy: -119.411 flat angles C4'-P-C4' energy: -129.459 flat angles P-C4'-P energy: -82.948 tors. eta vs tors. theta energy: -183.453 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: 5 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2013.624304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.624304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.624304 (E_RNA) where: Base-Base interactions energy: -1402.410 where: short stacking energy: -586.985 Base-Backbone interact. energy: -2.718 local terms energy: -608.497067 where: bonds (distance) C4'-P energy: -103.711 bonds (distance) P-C4' energy: -111.285 flat angles C4'-P-C4' energy: -138.416 flat angles P-C4'-P energy: -92.362 tors. eta vs tors. theta energy: -162.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1861.762781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.762781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.762781 (E_RNA) where: Base-Base interactions energy: -1296.417 where: short stacking energy: -548.416 Base-Backbone interact. energy: 0.643 local terms energy: -565.988856 where: bonds (distance) C4'-P energy: -101.428 bonds (distance) P-C4' energy: -111.094 flat angles C4'-P-C4' energy: -122.435 flat angles P-C4'-P energy: -71.304 tors. eta vs tors. theta energy: -159.728 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: 7 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1905.219252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.219252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.219252 (E_RNA) where: Base-Base interactions energy: -1317.037 where: short stacking energy: -554.752 Base-Backbone interact. energy: -3.475 local terms energy: -584.707465 where: bonds (distance) C4'-P energy: -104.569 bonds (distance) P-C4' energy: -122.080 flat angles C4'-P-C4' energy: -116.923 flat angles P-C4'-P energy: -83.836 tors. eta vs tors. theta energy: -157.299 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: 1 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1665.524663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.524663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.524663 (E_RNA) where: Base-Base interactions energy: -1108.962 where: short stacking energy: -501.848 Base-Backbone interact. energy: -1.450 local terms energy: -555.113322 where: bonds (distance) C4'-P energy: -118.941 bonds (distance) P-C4' energy: -97.489 flat angles C4'-P-C4' energy: -118.109 flat angles P-C4'-P energy: -78.513 tors. eta vs tors. theta energy: -142.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1224.255797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.255797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.255797 (E_RNA) where: Base-Base interactions energy: -766.453 where: short stacking energy: -358.647 Base-Backbone interact. energy: -2.021 local terms energy: -455.781877 where: bonds (distance) C4'-P energy: -100.103 bonds (distance) P-C4' energy: -104.788 flat angles C4'-P-C4' energy: -96.020 flat angles P-C4'-P energy: -76.199 tors. eta vs tors. theta energy: -78.671 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: 483 Temperature: 1.300000 Total energy: -1015.262305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.262305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.262305 (E_RNA) where: Base-Base interactions energy: -648.544 where: short stacking energy: -295.538 Base-Backbone interact. energy: -0.001 local terms energy: -366.717353 where: bonds (distance) C4'-P energy: -85.781 bonds (distance) P-C4' energy: -91.392 flat angles C4'-P-C4' energy: -89.486 flat angles P-C4'-P energy: -61.255 tors. eta vs tors. theta energy: -38.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -775.117156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.117156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.117156 (E_RNA) where: Base-Base interactions energy: -419.671 where: short stacking energy: -225.218 Base-Backbone interact. energy: 3.257 local terms energy: -358.702627 where: bonds (distance) C4'-P energy: -98.464 bonds (distance) P-C4' energy: -91.048 flat angles C4'-P-C4' energy: -103.651 flat angles P-C4'-P energy: -52.412 tors. eta vs tors. theta energy: -13.129 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: 10 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -2270.223377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.223377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.223377 (E_RNA) where: Base-Base interactions energy: -1586.577 where: short stacking energy: -657.740 Base-Backbone interact. energy: 1.622 local terms energy: -685.268358 where: bonds (distance) C4'-P energy: -120.472 bonds (distance) P-C4' energy: -123.369 flat angles C4'-P-C4' energy: -138.809 flat angles P-C4'-P energy: -101.435 tors. eta vs tors. theta energy: -201.183 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: 6 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -2188.144556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.144556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.144556 (E_RNA) where: Base-Base interactions energy: -1516.577 where: short stacking energy: -664.412 Base-Backbone interact. energy: -1.805 local terms energy: -669.762268 where: bonds (distance) C4'-P energy: -130.920 bonds (distance) P-C4' energy: -120.810 flat angles C4'-P-C4' energy: -142.327 flat angles P-C4'-P energy: -85.747 tors. eta vs tors. theta energy: -189.959 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: 3, replica: 2 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2137.925491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.925491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.925491 (E_RNA) where: Base-Base interactions energy: -1480.231 where: short stacking energy: -621.134 Base-Backbone interact. energy: -3.426 local terms energy: -654.268198 where: bonds (distance) C4'-P energy: -125.106 bonds (distance) P-C4' energy: -114.513 flat angles C4'-P-C4' energy: -141.193 flat angles P-C4'-P energy: -88.995 tors. eta vs tors. theta energy: -184.462 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: 5 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2007.013932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.013932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.013932 (E_RNA) where: Base-Base interactions energy: -1404.176 where: short stacking energy: -582.993 Base-Backbone interact. energy: -0.356 local terms energy: -602.482556 where: bonds (distance) C4'-P energy: -121.797 bonds (distance) P-C4' energy: -109.047 flat angles C4'-P-C4' energy: -123.969 flat angles P-C4'-P energy: -84.978 tors. eta vs tors. theta energy: -162.692 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: 7 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1952.553107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.553107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.553107 (E_RNA) where: Base-Base interactions energy: -1370.188 where: short stacking energy: -578.400 Base-Backbone interact. energy: -1.599 local terms energy: -580.765588 where: bonds (distance) C4'-P energy: -108.660 bonds (distance) P-C4' energy: -102.667 flat angles C4'-P-C4' energy: -124.472 flat angles P-C4'-P energy: -81.142 tors. eta vs tors. theta energy: -163.824 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: 3 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1823.169903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.169903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.169903 (E_RNA) where: Base-Base interactions energy: -1225.343 where: short stacking energy: -518.487 Base-Backbone interact. energy: -0.431 local terms energy: -597.396268 where: bonds (distance) C4'-P energy: -115.771 bonds (distance) P-C4' energy: -107.898 flat angles C4'-P-C4' energy: -141.724 flat angles P-C4'-P energy: -84.579 tors. eta vs tors. theta energy: -147.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1616.183486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.183486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.183486 (E_RNA) where: Base-Base interactions energy: -1098.910 where: short stacking energy: -503.090 Base-Backbone interact. energy: 1.962 local terms energy: -519.235001 where: bonds (distance) C4'-P energy: -86.921 bonds (distance) P-C4' energy: -122.559 flat angles C4'-P-C4' energy: -113.895 flat angles P-C4'-P energy: -70.576 tors. eta vs tors. theta energy: -125.284 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: 8, replica: 8 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1238.110021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.110021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.110021 (E_RNA) where: Base-Base interactions energy: -780.412 where: short stacking energy: -365.779 Base-Backbone interact. energy: 0.137 local terms energy: -457.834986 where: bonds (distance) C4'-P energy: -91.347 bonds (distance) P-C4' energy: -114.597 flat angles C4'-P-C4' energy: -107.744 flat angles P-C4'-P energy: -66.376 tors. eta vs tors. theta energy: -77.771 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: 484 Temperature: 1.300000 Total energy: -1026.220132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.220132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.220132 (E_RNA) where: Base-Base interactions energy: -623.192 where: short stacking energy: -308.087 Base-Backbone interact. energy: -2.252 local terms energy: -400.776205 where: bonds (distance) C4'-P energy: -101.069 bonds (distance) P-C4' energy: -104.159 flat angles C4'-P-C4' energy: -94.449 flat angles P-C4'-P energy: -57.152 tors. eta vs tors. theta energy: -43.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -734.175754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.175754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.175754 (E_RNA) where: Base-Base interactions energy: -423.266 where: short stacking energy: -194.680 Base-Backbone interact. energy: 1.172 local terms energy: -312.081608 where: bonds (distance) C4'-P energy: -86.062 bonds (distance) P-C4' energy: -78.640 flat angles C4'-P-C4' energy: -90.591 flat angles P-C4'-P energy: -49.590 tors. eta vs tors. theta energy: -7.199 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: 10 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -2260.936799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.936799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.936799 (E_RNA) where: Base-Base interactions energy: -1589.172 where: short stacking energy: -675.248 Base-Backbone interact. energy: -1.891 local terms energy: -669.874126 where: bonds (distance) C4'-P energy: -118.144 bonds (distance) P-C4' energy: -125.082 flat angles C4'-P-C4' energy: -138.078 flat angles P-C4'-P energy: -93.646 tors. eta vs tors. theta energy: -194.924 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: 6 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2190.320616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.320616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.320616 (E_RNA) where: Base-Base interactions energy: -1542.798 where: short stacking energy: -670.822 Base-Backbone interact. energy: -2.822 local terms energy: -644.700767 where: bonds (distance) C4'-P energy: -108.391 bonds (distance) P-C4' energy: -121.833 flat angles C4'-P-C4' energy: -119.181 flat angles P-C4'-P energy: -98.355 tors. eta vs tors. theta energy: -196.940 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: 2 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2136.407767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.407767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.407767 (E_RNA) where: Base-Base interactions energy: -1502.281 where: short stacking energy: -613.741 Base-Backbone interact. energy: -3.471 local terms energy: -630.655345 where: bonds (distance) C4'-P energy: -123.447 bonds (distance) P-C4' energy: -120.507 flat angles C4'-P-C4' energy: -126.030 flat angles P-C4'-P energy: -94.417 tors. eta vs tors. theta energy: -166.256 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: 4, replica: 5 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1992.240025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.240025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.240025 (E_RNA) where: Base-Base interactions energy: -1389.153 where: short stacking energy: -589.038 Base-Backbone interact. energy: -1.013 local terms energy: -602.074388 where: bonds (distance) C4'-P energy: -119.554 bonds (distance) P-C4' energy: -113.610 flat angles C4'-P-C4' energy: -133.238 flat angles P-C4'-P energy: -83.142 tors. eta vs tors. theta energy: -152.531 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: 5, replica: 7 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1939.252848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.252848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.252848 (E_RNA) where: Base-Base interactions energy: -1345.713 where: short stacking energy: -578.113 Base-Backbone interact. energy: 2.244 local terms energy: -595.784614 where: bonds (distance) C4'-P energy: -105.619 bonds (distance) P-C4' energy: -98.728 flat angles C4'-P-C4' energy: -134.928 flat angles P-C4'-P energy: -91.519 tors. eta vs tors. theta energy: -164.991 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: 3 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1745.597166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.597166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.597166 (E_RNA) where: Base-Base interactions energy: -1223.717 where: short stacking energy: -502.242 Base-Backbone interact. energy: -2.226 local terms energy: -519.653484 where: bonds (distance) C4'-P energy: -107.634 bonds (distance) P-C4' energy: -112.539 flat angles C4'-P-C4' energy: -102.128 flat angles P-C4'-P energy: -65.542 tors. eta vs tors. theta energy: -131.810 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: 1 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1643.936172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.936172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.936172 (E_RNA) where: Base-Base interactions energy: -1089.914 where: short stacking energy: -497.558 Base-Backbone interact. energy: -1.610 local terms energy: -552.412755 where: bonds (distance) C4'-P energy: -97.384 bonds (distance) P-C4' energy: -126.811 flat angles C4'-P-C4' energy: -121.547 flat angles P-C4'-P energy: -70.559 tors. eta vs tors. theta energy: -136.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1228.302007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.302007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.302007 (E_RNA) where: Base-Base interactions energy: -830.165 where: short stacking energy: -388.214 Base-Backbone interact. energy: -1.850 local terms energy: -396.286309 where: bonds (distance) C4'-P energy: -95.478 bonds (distance) P-C4' energy: -75.138 flat angles C4'-P-C4' energy: -100.861 flat angles P-C4'-P energy: -51.900 tors. eta vs tors. theta energy: -72.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -1021.437366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.437366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.437366 (E_RNA) where: Base-Base interactions energy: -579.368 where: short stacking energy: -292.621 Base-Backbone interact. energy: 0.814 local terms energy: -442.884040 where: bonds (distance) C4'-P energy: -103.639 bonds (distance) P-C4' energy: -117.847 flat angles C4'-P-C4' energy: -113.175 flat angles P-C4'-P energy: -60.696 tors. eta vs tors. theta energy: -47.527 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: 4 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -749.157372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.157372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.157372 (E_RNA) where: Base-Base interactions energy: -410.190 where: short stacking energy: -230.244 Base-Backbone interact. energy: 1.651 local terms energy: -340.617881 where: bonds (distance) C4'-P energy: -89.653 bonds (distance) P-C4' energy: -105.666 flat angles C4'-P-C4' energy: -88.847 flat angles P-C4'-P energy: -45.080 tors. eta vs tors. theta energy: -11.372 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: 10 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -2289.023356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.023356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.023356 (E_RNA) where: Base-Base interactions energy: -1582.540 where: short stacking energy: -688.295 Base-Backbone interact. energy: -3.264 local terms energy: -703.219175 where: bonds (distance) C4'-P energy: -133.720 bonds (distance) P-C4' energy: -126.239 flat angles C4'-P-C4' energy: -132.530 flat angles P-C4'-P energy: -101.130 tors. eta vs tors. theta energy: -209.600 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: 6 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2181.249004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.249004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.249004 (E_RNA) where: Base-Base interactions energy: -1531.724 where: short stacking energy: -652.275 Base-Backbone interact. energy: -2.445 local terms energy: -647.080052 where: bonds (distance) C4'-P energy: -115.933 bonds (distance) P-C4' energy: -110.927 flat angles C4'-P-C4' energy: -136.570 flat angles P-C4'-P energy: -89.213 tors. eta vs tors. theta energy: -194.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2114.558187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.558187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.558187 (E_RNA) where: Base-Base interactions energy: -1477.879 where: short stacking energy: -610.778 Base-Backbone interact. energy: -5.629 local terms energy: -631.050815 where: bonds (distance) C4'-P energy: -127.705 bonds (distance) P-C4' energy: -115.969 flat angles C4'-P-C4' energy: -119.055 flat angles P-C4'-P energy: -84.021 tors. eta vs tors. theta energy: -184.301 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: 486 Temperature: 1.050000 Total energy: -2001.488422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.488422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.488422 (E_RNA) where: Base-Base interactions energy: -1399.164 where: short stacking energy: -578.781 Base-Backbone interact. energy: -1.364 local terms energy: -600.960362 where: bonds (distance) C4'-P energy: -112.941 bonds (distance) P-C4' energy: -124.941 flat angles C4'-P-C4' energy: -126.412 flat angles P-C4'-P energy: -76.462 tors. eta vs tors. theta energy: -160.205 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: 5, replica: 7 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1948.733921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.733921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.733921 (E_RNA) where: Base-Base interactions energy: -1347.758 where: short stacking energy: -566.677 Base-Backbone interact. energy: -2.783 local terms energy: -598.192718 where: bonds (distance) C4'-P energy: -114.967 bonds (distance) P-C4' energy: -113.086 flat angles C4'-P-C4' energy: -128.367 flat angles P-C4'-P energy: -83.077 tors. eta vs tors. theta energy: -158.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1756.760259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.760259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.760259 (E_RNA) where: Base-Base interactions energy: -1198.875 where: short stacking energy: -525.757 Base-Backbone interact. energy: 1.933 local terms energy: -559.818480 where: bonds (distance) C4'-P energy: -114.088 bonds (distance) P-C4' energy: -106.662 flat angles C4'-P-C4' energy: -116.081 flat angles P-C4'-P energy: -79.918 tors. eta vs tors. theta energy: -143.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1679.501726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.501726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.501726 (E_RNA) where: Base-Base interactions energy: -1130.013 where: short stacking energy: -518.381 Base-Backbone interact. energy: 1.343 local terms energy: -550.831826 where: bonds (distance) C4'-P energy: -106.061 bonds (distance) P-C4' energy: -108.440 flat angles C4'-P-C4' energy: -128.860 flat angles P-C4'-P energy: -64.185 tors. eta vs tors. theta energy: -143.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1218.997433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.997433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.997433 (E_RNA) where: Base-Base interactions energy: -763.160 where: short stacking energy: -332.624 Base-Backbone interact. energy: 1.222 local terms energy: -457.059612 where: bonds (distance) C4'-P energy: -104.469 bonds (distance) P-C4' energy: -107.650 flat angles C4'-P-C4' energy: -109.870 flat angles P-C4'-P energy: -69.715 tors. eta vs tors. theta energy: -65.356 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: 9, replica: 9 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -975.531017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.531017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.531017 (E_RNA) where: Base-Base interactions energy: -568.271 where: short stacking energy: -297.104 Base-Backbone interact. energy: 1.745 local terms energy: -409.004198 where: bonds (distance) C4'-P energy: -98.285 bonds (distance) P-C4' energy: -114.582 flat angles C4'-P-C4' energy: -96.522 flat angles P-C4'-P energy: -57.354 tors. eta vs tors. theta energy: -42.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -724.060215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.060215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.060215 (E_RNA) where: Base-Base interactions energy: -382.392 where: short stacking energy: -232.530 Base-Backbone interact. energy: 3.278 local terms energy: -344.945396 where: bonds (distance) C4'-P energy: -95.750 bonds (distance) P-C4' energy: -109.858 flat angles C4'-P-C4' energy: -82.851 flat angles P-C4'-P energy: -39.109 tors. eta vs tors. theta energy: -17.378 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: 10 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -2291.713679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.713679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.713679 (E_RNA) where: Base-Base interactions energy: -1582.727 where: short stacking energy: -670.991 Base-Backbone interact. energy: 0.683 local terms energy: -709.669050 where: bonds (distance) C4'-P energy: -128.129 bonds (distance) P-C4' energy: -129.094 flat angles C4'-P-C4' energy: -144.994 flat angles P-C4'-P energy: -105.123 tors. eta vs tors. theta energy: -202.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2171.584638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.584638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.584638 (E_RNA) where: Base-Base interactions energy: -1520.970 where: short stacking energy: -633.914 Base-Backbone interact. energy: -4.225 local terms energy: -646.389495 where: bonds (distance) C4'-P energy: -108.107 bonds (distance) P-C4' energy: -118.954 flat angles C4'-P-C4' energy: -142.372 flat angles P-C4'-P energy: -92.400 tors. eta vs tors. theta energy: -184.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2140.883395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.883395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.883395 (E_RNA) where: Base-Base interactions energy: -1511.613 where: short stacking energy: -647.625 Base-Backbone interact. energy: -2.664 local terms energy: -626.606243 where: bonds (distance) C4'-P energy: -106.909 bonds (distance) P-C4' energy: -115.423 flat angles C4'-P-C4' energy: -136.731 flat angles P-C4'-P energy: -81.798 tors. eta vs tors. theta energy: -185.745 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: 7 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2012.995463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.995463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.995463 (E_RNA) where: Base-Base interactions energy: -1430.554 where: short stacking energy: -600.168 Base-Backbone interact. energy: -3.149 local terms energy: -579.292554 where: bonds (distance) C4'-P energy: -87.466 bonds (distance) P-C4' energy: -102.764 flat angles C4'-P-C4' energy: -137.220 flat angles P-C4'-P energy: -81.155 tors. eta vs tors. theta energy: -170.687 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: 5, replica: 5 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -1957.626535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.626535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.626535 (E_RNA) where: Base-Base interactions energy: -1358.771 where: short stacking energy: -570.840 Base-Backbone interact. energy: -0.860 local terms energy: -597.995097 where: bonds (distance) C4'-P energy: -99.004 bonds (distance) P-C4' energy: -121.068 flat angles C4'-P-C4' energy: -128.030 flat angles P-C4'-P energy: -86.219 tors. eta vs tors. theta energy: -163.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1801.199913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.199913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.199913 (E_RNA) where: Base-Base interactions energy: -1255.603 where: short stacking energy: -534.831 Base-Backbone interact. energy: -2.927 local terms energy: -542.670718 where: bonds (distance) C4'-P energy: -94.429 bonds (distance) P-C4' energy: -115.151 flat angles C4'-P-C4' energy: -113.147 flat angles P-C4'-P energy: -75.606 tors. eta vs tors. theta energy: -144.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1648.803881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.803881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.803881 (E_RNA) where: Base-Base interactions energy: -1139.746 where: short stacking energy: -489.915 Base-Backbone interact. energy: 0.210 local terms energy: -509.267075 where: bonds (distance) C4'-P energy: -88.062 bonds (distance) P-C4' energy: -96.385 flat angles C4'-P-C4' energy: -124.738 flat angles P-C4'-P energy: -75.756 tors. eta vs tors. theta energy: -124.326 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: 8 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1195.983373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.983373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.983373 (E_RNA) where: Base-Base interactions energy: -781.441 where: short stacking energy: -379.515 Base-Backbone interact. energy: 0.552 local terms energy: -415.095326 where: bonds (distance) C4'-P energy: -110.042 bonds (distance) P-C4' energy: -109.088 flat angles C4'-P-C4' energy: -91.156 flat angles P-C4'-P energy: -39.009 tors. eta vs tors. theta energy: -65.801 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: 9, replica: 9 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -1007.054948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.054948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.054948 (E_RNA) where: Base-Base interactions energy: -576.545 where: short stacking energy: -291.926 Base-Backbone interact. energy: -0.044 local terms energy: -430.466249 where: bonds (distance) C4'-P energy: -97.098 bonds (distance) P-C4' energy: -106.488 flat angles C4'-P-C4' energy: -101.789 flat angles P-C4'-P energy: -73.815 tors. eta vs tors. theta energy: -51.277 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: 4 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -757.022409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.022409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.022409 (E_RNA) where: Base-Base interactions energy: -388.992 where: short stacking energy: -199.075 Base-Backbone interact. energy: -0.911 local terms energy: -367.119154 where: bonds (distance) C4'-P energy: -105.868 bonds (distance) P-C4' energy: -112.666 flat angles C4'-P-C4' energy: -86.448 flat angles P-C4'-P energy: -58.752 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: 1, replica: 10 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -2283.484046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.484046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.484046 (E_RNA) where: Base-Base interactions energy: -1589.591 where: short stacking energy: -672.319 Base-Backbone interact. energy: -3.521 local terms energy: -690.371602 where: bonds (distance) C4'-P energy: -109.361 bonds (distance) P-C4' energy: -136.661 flat angles C4'-P-C4' energy: -151.648 flat angles P-C4'-P energy: -95.162 tors. eta vs tors. theta energy: -197.539 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: 2, replica: 2 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -2182.862892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.862892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.862892 (E_RNA) where: Base-Base interactions energy: -1536.764 where: short stacking energy: -630.469 Base-Backbone interact. energy: -6.820 local terms energy: -639.279012 where: bonds (distance) C4'-P energy: -119.938 bonds (distance) P-C4' energy: -108.627 flat angles C4'-P-C4' energy: -142.220 flat angles P-C4'-P energy: -85.311 tors. eta vs tors. theta energy: -183.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2109.654379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.654379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.654379 (E_RNA) where: Base-Base interactions energy: -1481.536 where: short stacking energy: -628.529 Base-Backbone interact. energy: -1.357 local terms energy: -626.761353 where: bonds (distance) C4'-P energy: -114.060 bonds (distance) P-C4' energy: -117.695 flat angles C4'-P-C4' energy: -129.297 flat angles P-C4'-P energy: -80.911 tors. eta vs tors. theta energy: -184.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2031.032932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.032932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.032932 (E_RNA) where: Base-Base interactions energy: -1428.878 where: short stacking energy: -607.214 Base-Backbone interact. energy: -1.280 local terms energy: -600.875272 where: bonds (distance) C4'-P energy: -100.735 bonds (distance) P-C4' energy: -109.077 flat angles C4'-P-C4' energy: -126.834 flat angles P-C4'-P energy: -92.906 tors. eta vs tors. theta energy: -171.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -1925.839144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.839144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.839144 (E_RNA) where: Base-Base interactions energy: -1343.924 where: short stacking energy: -575.468 Base-Backbone interact. energy: -2.674 local terms energy: -579.240633 where: bonds (distance) C4'-P energy: -103.937 bonds (distance) P-C4' energy: -103.748 flat angles C4'-P-C4' energy: -127.401 flat angles P-C4'-P energy: -86.940 tors. eta vs tors. theta energy: -157.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1779.957230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.957230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.957230 (E_RNA) where: Base-Base interactions energy: -1242.411 where: short stacking energy: -534.257 Base-Backbone interact. energy: 0.069 local terms energy: -537.615583 where: bonds (distance) C4'-P energy: -102.720 bonds (distance) P-C4' energy: -109.392 flat angles C4'-P-C4' energy: -109.400 flat angles P-C4'-P energy: -71.769 tors. eta vs tors. theta energy: -144.335 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: 1 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1598.619421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.619421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.619421 (E_RNA) where: Base-Base interactions energy: -1103.075 where: short stacking energy: -453.585 Base-Backbone interact. energy: -1.078 local terms energy: -494.466826 where: bonds (distance) C4'-P energy: -103.172 bonds (distance) P-C4' energy: -104.664 flat angles C4'-P-C4' energy: -117.213 flat angles P-C4'-P energy: -74.464 tors. eta vs tors. theta energy: -94.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1174.293194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.293194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.293194 (E_RNA) where: Base-Base interactions energy: -745.591 where: short stacking energy: -359.173 Base-Backbone interact. energy: 0.919 local terms energy: -429.621873 where: bonds (distance) C4'-P energy: -97.026 bonds (distance) P-C4' energy: -109.617 flat angles C4'-P-C4' energy: -98.910 flat angles P-C4'-P energy: -51.265 tors. eta vs tors. theta energy: -72.805 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: 9, replica: 9 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -1015.175295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.175295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.175295 (E_RNA) where: Base-Base interactions energy: -588.367 where: short stacking energy: -281.513 Base-Backbone interact. energy: 5.229 local terms energy: -432.036674 where: bonds (distance) C4'-P energy: -94.747 bonds (distance) P-C4' energy: -112.333 flat angles C4'-P-C4' energy: -110.437 flat angles P-C4'-P energy: -76.622 tors. eta vs tors. theta energy: -37.899 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: 4 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -744.287527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.287527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.287527 (E_RNA) where: Base-Base interactions energy: -389.160 where: short stacking energy: -217.852 Base-Backbone interact. energy: 2.515 local terms energy: -357.642172 where: bonds (distance) C4'-P energy: -92.803 bonds (distance) P-C4' energy: -108.625 flat angles C4'-P-C4' energy: -92.691 flat angles P-C4'-P energy: -53.752 tors. eta vs tors. theta energy: -9.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -2287.517816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.517816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.517816 (E_RNA) where: Base-Base interactions energy: -1607.165 where: short stacking energy: -668.277 Base-Backbone interact. energy: -1.440 local terms energy: -678.912752 where: bonds (distance) C4'-P energy: -129.858 bonds (distance) P-C4' energy: -114.751 flat angles C4'-P-C4' energy: -142.862 flat angles P-C4'-P energy: -90.732 tors. eta vs tors. theta energy: -200.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2163.173762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.173762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.173762 (E_RNA) where: Base-Base interactions energy: -1520.033 where: short stacking energy: -619.564 Base-Backbone interact. energy: -3.832 local terms energy: -639.309659 where: bonds (distance) C4'-P energy: -114.566 bonds (distance) P-C4' energy: -112.078 flat angles C4'-P-C4' energy: -130.117 flat angles P-C4'-P energy: -104.133 tors. eta vs tors. theta energy: -178.415 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: 6 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -2123.827695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.827695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.827695 (E_RNA) where: Base-Base interactions energy: -1481.411 where: short stacking energy: -652.331 Base-Backbone interact. energy: 1.497 local terms energy: -643.914041 where: bonds (distance) C4'-P energy: -110.665 bonds (distance) P-C4' energy: -126.169 flat angles C4'-P-C4' energy: -138.598 flat angles P-C4'-P energy: -76.539 tors. eta vs tors. theta energy: -191.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1997.593954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.593954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.593954 (E_RNA) where: Base-Base interactions energy: -1396.305 where: short stacking energy: -602.425 Base-Backbone interact. energy: -0.053 local terms energy: -601.236186 where: bonds (distance) C4'-P energy: -84.732 bonds (distance) P-C4' energy: -120.528 flat angles C4'-P-C4' energy: -127.148 flat angles P-C4'-P energy: -96.298 tors. eta vs tors. theta energy: -172.529 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: 5 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -1924.192785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.192785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.192785 (E_RNA) where: Base-Base interactions energy: -1346.531 where: short stacking energy: -560.790 Base-Backbone interact. energy: -1.845 local terms energy: -575.817158 where: bonds (distance) C4'-P energy: -99.137 bonds (distance) P-C4' energy: -115.601 flat angles C4'-P-C4' energy: -124.679 flat angles P-C4'-P energy: -78.686 tors. eta vs tors. theta energy: -157.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1774.720116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.720116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.720116 (E_RNA) where: Base-Base interactions energy: -1250.859 where: short stacking energy: -524.156 Base-Backbone interact. energy: -1.925 local terms energy: -521.935666 where: bonds (distance) C4'-P energy: -97.344 bonds (distance) P-C4' energy: -93.239 flat angles C4'-P-C4' energy: -129.885 flat angles P-C4'-P energy: -72.172 tors. eta vs tors. theta energy: -129.295 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: 1 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1659.870340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.870340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.870340 (E_RNA) where: Base-Base interactions energy: -1146.457 where: short stacking energy: -492.330 Base-Backbone interact. energy: 0.502 local terms energy: -513.915512 where: bonds (distance) C4'-P energy: -103.305 bonds (distance) P-C4' energy: -105.913 flat angles C4'-P-C4' energy: -113.341 flat angles P-C4'-P energy: -63.075 tors. eta vs tors. theta energy: -128.280 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: 8 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1193.380081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.380081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.380081 (E_RNA) where: Base-Base interactions energy: -770.966 where: short stacking energy: -370.399 Base-Backbone interact. energy: 0.132 local terms energy: -422.546661 where: bonds (distance) C4'-P energy: -87.123 bonds (distance) P-C4' energy: -105.450 flat angles C4'-P-C4' energy: -98.353 flat angles P-C4'-P energy: -59.398 tors. eta vs tors. theta energy: -72.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -981.556119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.556119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.556119 (E_RNA) where: Base-Base interactions energy: -628.989 where: short stacking energy: -301.901 Base-Backbone interact. energy: 3.203 local terms energy: -355.770860 where: bonds (distance) C4'-P energy: -77.763 bonds (distance) P-C4' energy: -89.557 flat angles C4'-P-C4' energy: -87.377 flat angles P-C4'-P energy: -53.024 tors. eta vs tors. theta energy: -48.050 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: 10, replica: 4 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -815.174159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.174159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.174159 (E_RNA) where: Base-Base interactions energy: -469.851 where: short stacking energy: -229.633 Base-Backbone interact. energy: 0.989 local terms energy: -346.312217 where: bonds (distance) C4'-P energy: -90.855 bonds (distance) P-C4' energy: -107.316 flat angles C4'-P-C4' energy: -82.851 flat angles P-C4'-P energy: -51.707 tors. eta vs tors. theta energy: -13.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -2254.523096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.523096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.523096 (E_RNA) where: Base-Base interactions energy: -1581.745 where: short stacking energy: -680.960 Base-Backbone interact. energy: 0.004 local terms energy: -672.781603 where: bonds (distance) C4'-P energy: -120.742 bonds (distance) P-C4' energy: -126.775 flat angles C4'-P-C4' energy: -138.479 flat angles P-C4'-P energy: -85.140 tors. eta vs tors. theta energy: -201.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -2148.282702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.282702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.282702 (E_RNA) where: Base-Base interactions energy: -1501.060 where: short stacking energy: -628.605 Base-Backbone interact. energy: -2.470 local terms energy: -644.752275 where: bonds (distance) C4'-P energy: -117.774 bonds (distance) P-C4' energy: -118.685 flat angles C4'-P-C4' energy: -142.785 flat angles P-C4'-P energy: -81.079 tors. eta vs tors. theta energy: -184.429 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: 3, replica: 6 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2136.787341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.787341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.787341 (E_RNA) where: Base-Base interactions energy: -1502.414 where: short stacking energy: -639.302 Base-Backbone interact. energy: -4.565 local terms energy: -629.808481 where: bonds (distance) C4'-P energy: -111.962 bonds (distance) P-C4' energy: -107.120 flat angles C4'-P-C4' energy: -131.815 flat angles P-C4'-P energy: -91.063 tors. eta vs tors. theta energy: -187.848 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: 4, replica: 7 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -1966.065229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.065229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.065229 (E_RNA) where: Base-Base interactions energy: -1356.672 where: short stacking energy: -584.355 Base-Backbone interact. energy: -3.265 local terms energy: -606.128685 where: bonds (distance) C4'-P energy: -109.110 bonds (distance) P-C4' energy: -115.143 flat angles C4'-P-C4' energy: -127.721 flat angles P-C4'-P energy: -89.475 tors. eta vs tors. theta energy: -164.680 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: 5 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1910.490777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.490777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.490777 (E_RNA) where: Base-Base interactions energy: -1346.466 where: short stacking energy: -563.056 Base-Backbone interact. energy: 1.909 local terms energy: -565.933577 where: bonds (distance) C4'-P energy: -106.755 bonds (distance) P-C4' energy: -108.631 flat angles C4'-P-C4' energy: -121.671 flat angles P-C4'-P energy: -72.427 tors. eta vs tors. theta energy: -156.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1785.324971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.324971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.324971 (E_RNA) where: Base-Base interactions energy: -1245.581 where: short stacking energy: -542.116 Base-Backbone interact. energy: -0.302 local terms energy: -539.442059 where: bonds (distance) C4'-P energy: -94.818 bonds (distance) P-C4' energy: -104.920 flat angles C4'-P-C4' energy: -113.533 flat angles P-C4'-P energy: -87.946 tors. eta vs tors. theta energy: -138.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1669.284221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.284221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.284221 (E_RNA) where: Base-Base interactions energy: -1156.350 where: short stacking energy: -492.239 Base-Backbone interact. energy: 4.712 local terms energy: -517.646883 where: bonds (distance) C4'-P energy: -105.135 bonds (distance) P-C4' energy: -104.216 flat angles C4'-P-C4' energy: -120.554 flat angles P-C4'-P energy: -62.842 tors. eta vs tors. theta energy: -124.900 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: 8, replica: 8 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1198.638849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.638849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.638849 (E_RNA) where: Base-Base interactions energy: -792.551 where: short stacking energy: -372.960 Base-Backbone interact. energy: -2.991 local terms energy: -403.096575 where: bonds (distance) C4'-P energy: -91.568 bonds (distance) P-C4' energy: -89.755 flat angles C4'-P-C4' energy: -97.621 flat angles P-C4'-P energy: -50.876 tors. eta vs tors. theta energy: -73.277 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: 9 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -942.878165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.878165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.878165 (E_RNA) where: Base-Base interactions energy: -554.679 where: short stacking energy: -296.716 Base-Backbone interact. energy: 0.290 local terms energy: -388.488876 where: bonds (distance) C4'-P energy: -92.027 bonds (distance) P-C4' energy: -101.589 flat angles C4'-P-C4' energy: -103.642 flat angles P-C4'-P energy: -54.260 tors. eta vs tors. theta energy: -36.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -735.714354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.714354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.714354 (E_RNA) where: Base-Base interactions energy: -395.051 where: short stacking energy: -222.289 Base-Backbone interact. energy: 0.011 local terms energy: -340.674236 where: bonds (distance) C4'-P energy: -100.093 bonds (distance) P-C4' energy: -87.948 flat angles C4'-P-C4' energy: -77.804 flat angles P-C4'-P energy: -68.989 tors. eta vs tors. theta energy: -5.841 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: 10 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -2263.666062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.666062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.666062 (E_RNA) where: Base-Base interactions energy: -1565.732 where: short stacking energy: -657.430 Base-Backbone interact. energy: -0.353 local terms energy: -697.581894 where: bonds (distance) C4'-P energy: -126.319 bonds (distance) P-C4' energy: -124.763 flat angles C4'-P-C4' energy: -148.197 flat angles P-C4'-P energy: -95.929 tors. eta vs tors. theta energy: -202.372 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: 2, replica: 6 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -2152.068473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.068473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.068473 (E_RNA) where: Base-Base interactions energy: -1506.747 where: short stacking energy: -635.028 Base-Backbone interact. energy: -2.201 local terms energy: -643.120045 where: bonds (distance) C4'-P energy: -119.612 bonds (distance) P-C4' energy: -99.858 flat angles C4'-P-C4' energy: -135.517 flat angles P-C4'-P energy: -99.201 tors. eta vs tors. theta energy: -188.931 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: 491 Temperature: 1.000000 Total energy: -2107.826567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.826567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.826567 (E_RNA) where: Base-Base interactions energy: -1486.562 where: short stacking energy: -612.854 Base-Backbone interact. energy: -2.022 local terms energy: -619.242526 where: bonds (distance) C4'-P energy: -101.282 bonds (distance) P-C4' energy: -126.898 flat angles C4'-P-C4' energy: -129.717 flat angles P-C4'-P energy: -89.277 tors. eta vs tors. theta energy: -172.069 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: 5 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1971.752405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.752405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.752405 (E_RNA) where: Base-Base interactions energy: -1377.190 where: short stacking energy: -573.497 Base-Backbone interact. energy: 0.337 local terms energy: -594.899412 where: bonds (distance) C4'-P energy: -114.640 bonds (distance) P-C4' energy: -108.686 flat angles C4'-P-C4' energy: -124.967 flat angles P-C4'-P energy: -78.124 tors. eta vs tors. theta energy: -168.483 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: 5, replica: 7 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -1890.090658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.090658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.090658 (E_RNA) where: Base-Base interactions energy: -1314.847 where: short stacking energy: -568.503 Base-Backbone interact. energy: -4.221 local terms energy: -571.022242 where: bonds (distance) C4'-P energy: -108.585 bonds (distance) P-C4' energy: -101.330 flat angles C4'-P-C4' energy: -123.136 flat angles P-C4'-P energy: -74.658 tors. eta vs tors. theta energy: -163.313 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: 6, replica: 3 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1783.286500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.286500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.286500 (E_RNA) where: Base-Base interactions energy: -1245.705 where: short stacking energy: -518.501 Base-Backbone interact. energy: -2.843 local terms energy: -534.737716 where: bonds (distance) C4'-P energy: -101.837 bonds (distance) P-C4' energy: -98.174 flat angles C4'-P-C4' energy: -113.840 flat angles P-C4'-P energy: -78.318 tors. eta vs tors. theta energy: -142.568 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: 7, replica: 1 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1597.419012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.419012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.419012 (E_RNA) where: Base-Base interactions energy: -1084.276 where: short stacking energy: -477.214 Base-Backbone interact. energy: -1.574 local terms energy: -511.569251 where: bonds (distance) C4'-P energy: -97.548 bonds (distance) P-C4' energy: -125.961 flat angles C4'-P-C4' energy: -104.389 flat angles P-C4'-P energy: -72.173 tors. eta vs tors. theta energy: -111.498 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: 8 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -1181.663482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.663482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.663482 (E_RNA) where: Base-Base interactions energy: -777.210 where: short stacking energy: -356.223 Base-Backbone interact. energy: -2.285 local terms energy: -402.168491 where: bonds (distance) C4'-P energy: -85.667 bonds (distance) P-C4' energy: -114.160 flat angles C4'-P-C4' energy: -98.218 flat angles P-C4'-P energy: -53.000 tors. eta vs tors. theta energy: -51.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -955.633001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.633001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.633001 (E_RNA) where: Base-Base interactions energy: -564.814 where: short stacking energy: -304.839 Base-Backbone interact. energy: -0.099 local terms energy: -390.720381 where: bonds (distance) C4'-P energy: -98.430 bonds (distance) P-C4' energy: -86.382 flat angles C4'-P-C4' energy: -94.500 flat angles P-C4'-P energy: -63.932 tors. eta vs tors. theta energy: -47.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -793.866723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.866723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.866723 (E_RNA) where: Base-Base interactions energy: -417.683 where: short stacking energy: -221.606 Base-Backbone interact. energy: -0.469 local terms energy: -375.714527 where: bonds (distance) C4'-P energy: -105.425 bonds (distance) P-C4' energy: -95.825 flat angles C4'-P-C4' energy: -96.619 flat angles P-C4'-P energy: -68.496 tors. eta vs tors. theta energy: -9.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -2267.229328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.229328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.229328 (E_RNA) where: Base-Base interactions energy: -1581.791 where: short stacking energy: -655.237 Base-Backbone interact. energy: -0.574 local terms energy: -684.863718 where: bonds (distance) C4'-P energy: -117.934 bonds (distance) P-C4' energy: -128.517 flat angles C4'-P-C4' energy: -135.512 flat angles P-C4'-P energy: -100.058 tors. eta vs tors. theta energy: -202.842 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: 2, replica: 6 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -2161.867066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.867066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.867066 (E_RNA) where: Base-Base interactions energy: -1518.538 where: short stacking energy: -626.502 Base-Backbone interact. energy: -3.691 local terms energy: -639.637868 where: bonds (distance) C4'-P energy: -109.087 bonds (distance) P-C4' energy: -106.055 flat angles C4'-P-C4' energy: -145.127 flat angles P-C4'-P energy: -92.854 tors. eta vs tors. theta energy: -186.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -2135.311593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.311593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.311593 (E_RNA) where: Base-Base interactions energy: -1491.640 where: short stacking energy: -623.916 Base-Backbone interact. energy: -6.334 local terms energy: -637.337550 where: bonds (distance) C4'-P energy: -122.623 bonds (distance) P-C4' energy: -109.821 flat angles C4'-P-C4' energy: -140.132 flat angles P-C4'-P energy: -85.718 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: 4, replica: 5 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -1958.149164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.149164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.149164 (E_RNA) where: Base-Base interactions energy: -1353.683 where: short stacking energy: -581.203 Base-Backbone interact. energy: 0.171 local terms energy: -604.637217 where: bonds (distance) C4'-P energy: -121.857 bonds (distance) P-C4' energy: -103.253 flat angles C4'-P-C4' energy: -140.189 flat angles P-C4'-P energy: -87.120 tors. eta vs tors. theta energy: -152.219 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: 7 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1923.317086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.317086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.317086 (E_RNA) where: Base-Base interactions energy: -1325.357 where: short stacking energy: -565.750 Base-Backbone interact. energy: -0.258 local terms energy: -597.701695 where: bonds (distance) C4'-P energy: -119.717 bonds (distance) P-C4' energy: -111.380 flat angles C4'-P-C4' energy: -128.269 flat angles P-C4'-P energy: -83.514 tors. eta vs tors. theta energy: -154.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1807.351800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.351800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.351800 (E_RNA) where: Base-Base interactions energy: -1242.193 where: short stacking energy: -518.979 Base-Backbone interact. energy: -2.166 local terms energy: -562.992204 where: bonds (distance) C4'-P energy: -106.460 bonds (distance) P-C4' energy: -116.578 flat angles C4'-P-C4' energy: -123.377 flat angles P-C4'-P energy: -75.817 tors. eta vs tors. theta energy: -140.759 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: 1 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1611.744328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.744328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.744328 (E_RNA) where: Base-Base interactions energy: -1084.217 where: short stacking energy: -475.191 Base-Backbone interact. energy: -0.902 local terms energy: -526.625859 where: bonds (distance) C4'-P energy: -115.032 bonds (distance) P-C4' energy: -109.526 flat angles C4'-P-C4' energy: -113.843 flat angles P-C4'-P energy: -67.888 tors. eta vs tors. theta energy: -120.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1221.708615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.708615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.708615 (E_RNA) where: Base-Base interactions energy: -805.743 where: short stacking energy: -368.240 Base-Backbone interact. energy: -0.107 local terms energy: -415.858123 where: bonds (distance) C4'-P energy: -106.443 bonds (distance) P-C4' energy: -93.868 flat angles C4'-P-C4' energy: -107.371 flat angles P-C4'-P energy: -60.858 tors. eta vs tors. theta energy: -47.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -946.238831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.238831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.238831 (E_RNA) where: Base-Base interactions energy: -577.186 where: short stacking energy: -289.284 Base-Backbone interact. energy: 0.432 local terms energy: -369.484938 where: bonds (distance) C4'-P energy: -85.346 bonds (distance) P-C4' energy: -114.065 flat angles C4'-P-C4' energy: -91.864 flat angles P-C4'-P energy: -41.978 tors. eta vs tors. theta energy: -36.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -777.817416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.817416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.817416 (E_RNA) where: Base-Base interactions energy: -442.126 where: short stacking energy: -193.467 Base-Backbone interact. energy: 4.628 local terms energy: -340.320106 where: bonds (distance) C4'-P energy: -82.199 bonds (distance) P-C4' energy: -117.036 flat angles C4'-P-C4' energy: -74.478 flat angles P-C4'-P energy: -62.911 tors. eta vs tors. theta energy: -3.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -2257.166082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.166082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.166082 (E_RNA) where: Base-Base interactions energy: -1572.626 where: short stacking energy: -668.347 Base-Backbone interact. energy: -3.409 local terms energy: -681.131682 where: bonds (distance) C4'-P energy: -122.143 bonds (distance) P-C4' energy: -133.455 flat angles C4'-P-C4' energy: -139.584 flat angles P-C4'-P energy: -89.298 tors. eta vs tors. theta energy: -196.652 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: 6 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -2121.355703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.355703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.355703 (E_RNA) where: Base-Base interactions energy: -1461.896 where: short stacking energy: -650.014 Base-Backbone interact. energy: -0.654 local terms energy: -658.805315 where: bonds (distance) C4'-P energy: -119.436 bonds (distance) P-C4' energy: -120.024 flat angles C4'-P-C4' energy: -139.742 flat angles P-C4'-P energy: -93.259 tors. eta vs tors. theta energy: -186.344 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: 3, replica: 2 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -2151.905244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.905244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.905244 (E_RNA) where: Base-Base interactions energy: -1500.993 where: short stacking energy: -626.309 Base-Backbone interact. energy: -3.543 local terms energy: -647.369365 where: bonds (distance) C4'-P energy: -115.857 bonds (distance) P-C4' energy: -117.499 flat angles C4'-P-C4' energy: -136.783 flat angles P-C4'-P energy: -99.202 tors. eta vs tors. theta energy: -178.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1973.550991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.550991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.550991 (E_RNA) where: Base-Base interactions energy: -1363.317 where: short stacking energy: -598.075 Base-Backbone interact. energy: -1.856 local terms energy: -608.378435 where: bonds (distance) C4'-P energy: -113.536 bonds (distance) P-C4' energy: -102.779 flat angles C4'-P-C4' energy: -128.959 flat angles P-C4'-P energy: -92.707 tors. eta vs tors. theta energy: -170.397 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: 493 Temperature: 1.100000 Total energy: -1931.179444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.179444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.179444 (E_RNA) where: Base-Base interactions energy: -1362.561 where: short stacking energy: -585.036 Base-Backbone interact. energy: 0.944 local terms energy: -569.563012 where: bonds (distance) C4'-P energy: -107.275 bonds (distance) P-C4' energy: -119.563 flat angles C4'-P-C4' energy: -120.129 flat angles P-C4'-P energy: -62.304 tors. eta vs tors. theta energy: -160.292 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: 6, replica: 3 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1826.940318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.940318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.940318 (E_RNA) where: Base-Base interactions energy: -1262.012 where: short stacking energy: -527.498 Base-Backbone interact. energy: -3.965 local terms energy: -560.962759 where: bonds (distance) C4'-P energy: -95.269 bonds (distance) P-C4' energy: -132.166 flat angles C4'-P-C4' energy: -117.277 flat angles P-C4'-P energy: -77.064 tors. eta vs tors. theta energy: -139.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1580.319209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.319209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.319209 (E_RNA) where: Base-Base interactions energy: -1069.744 where: short stacking energy: -458.516 Base-Backbone interact. energy: -1.204 local terms energy: -509.372096 where: bonds (distance) C4'-P energy: -103.956 bonds (distance) P-C4' energy: -102.801 flat angles C4'-P-C4' energy: -118.559 flat angles P-C4'-P energy: -65.999 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: 8 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1199.728844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.728844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.728844 (E_RNA) where: Base-Base interactions energy: -743.992 where: short stacking energy: -338.047 Base-Backbone interact. energy: -1.949 local terms energy: -453.787895 where: bonds (distance) C4'-P energy: -103.525 bonds (distance) P-C4' energy: -106.021 flat angles C4'-P-C4' energy: -117.055 flat angles P-C4'-P energy: -70.899 tors. eta vs tors. theta energy: -56.287 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: 9, replica: 9 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -964.572608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.572608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.572608 (E_RNA) where: Base-Base interactions energy: -589.822 where: short stacking energy: -286.840 Base-Backbone interact. energy: 3.746 local terms energy: -378.496872 where: bonds (distance) C4'-P energy: -100.592 bonds (distance) P-C4' energy: -88.021 flat angles C4'-P-C4' energy: -111.518 flat angles P-C4'-P energy: -34.690 tors. eta vs tors. theta energy: -43.676 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: 4 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -731.877084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.877084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.877084 (E_RNA) where: Base-Base interactions energy: -396.680 where: short stacking energy: -214.885 Base-Backbone interact. energy: -2.298 local terms energy: -332.898892 where: bonds (distance) C4'-P energy: -93.265 bonds (distance) P-C4' energy: -92.729 flat angles C4'-P-C4' energy: -92.961 flat angles P-C4'-P energy: -36.725 tors. eta vs tors. theta energy: -17.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -2297.419471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.419471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.419471 (E_RNA) where: Base-Base interactions energy: -1609.524 where: short stacking energy: -701.758 Base-Backbone interact. energy: -3.672 local terms energy: -684.224015 where: bonds (distance) C4'-P energy: -109.831 bonds (distance) P-C4' energy: -136.304 flat angles C4'-P-C4' energy: -135.368 flat angles P-C4'-P energy: -95.079 tors. eta vs tors. theta energy: -207.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -2160.184856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.184856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.184856 (E_RNA) where: Base-Base interactions energy: -1540.035 where: short stacking energy: -646.227 Base-Backbone interact. energy: -1.491 local terms energy: -618.658900 where: bonds (distance) C4'-P energy: -113.610 bonds (distance) P-C4' energy: -106.391 flat angles C4'-P-C4' energy: -137.933 flat angles P-C4'-P energy: -80.929 tors. eta vs tors. theta energy: -179.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -2131.190508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.190508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.190508 (E_RNA) where: Base-Base interactions energy: -1476.865 where: short stacking energy: -604.447 Base-Backbone interact. energy: -4.481 local terms energy: -649.844097 where: bonds (distance) C4'-P energy: -118.168 bonds (distance) P-C4' energy: -123.147 flat angles C4'-P-C4' energy: -140.322 flat angles P-C4'-P energy: -97.843 tors. eta vs tors. theta energy: -170.364 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: 7 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -2004.111453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.111453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.111453 (E_RNA) where: Base-Base interactions energy: -1413.371 where: short stacking energy: -608.619 Base-Backbone interact. energy: 3.815 local terms energy: -594.555513 where: bonds (distance) C4'-P energy: -102.192 bonds (distance) P-C4' energy: -116.391 flat angles C4'-P-C4' energy: -136.030 flat angles P-C4'-P energy: -73.336 tors. eta vs tors. theta energy: -166.606 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: 5 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -1944.984726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.984726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.984726 (E_RNA) where: Base-Base interactions energy: -1340.503 where: short stacking energy: -565.840 Base-Backbone interact. energy: 3.856 local terms energy: -608.337905 where: bonds (distance) C4'-P energy: -106.059 bonds (distance) P-C4' energy: -118.139 flat angles C4'-P-C4' energy: -131.660 flat angles P-C4'-P energy: -89.820 tors. eta vs tors. theta energy: -162.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1822.236686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.236686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.236686 (E_RNA) where: Base-Base interactions energy: -1286.922 where: short stacking energy: -529.201 Base-Backbone interact. energy: -2.696 local terms energy: -532.618612 where: bonds (distance) C4'-P energy: -90.181 bonds (distance) P-C4' energy: -101.642 flat angles C4'-P-C4' energy: -119.720 flat angles P-C4'-P energy: -84.478 tors. eta vs tors. theta energy: -136.598 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: 1 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -1537.252341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.252341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.252341 (E_RNA) where: Base-Base interactions energy: -1004.177 where: short stacking energy: -423.759 Base-Backbone interact. energy: -0.785 local terms energy: -532.290900 where: bonds (distance) C4'-P energy: -114.152 bonds (distance) P-C4' energy: -119.439 flat angles C4'-P-C4' energy: -124.577 flat angles P-C4'-P energy: -74.030 tors. eta vs tors. theta energy: -100.094 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: 8, replica: 8 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -1260.209841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.209841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.209841 (E_RNA) where: Base-Base interactions energy: -824.552 where: short stacking energy: -375.429 Base-Backbone interact. energy: -0.721 local terms energy: -434.936772 where: bonds (distance) C4'-P energy: -102.411 bonds (distance) P-C4' energy: -101.542 flat angles C4'-P-C4' energy: -109.029 flat angles P-C4'-P energy: -53.306 tors. eta vs tors. theta energy: -68.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -982.362138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.362138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.362138 (E_RNA) where: Base-Base interactions energy: -597.480 where: short stacking energy: -304.982 Base-Backbone interact. energy: 3.929 local terms energy: -388.811422 where: bonds (distance) C4'-P energy: -101.038 bonds (distance) P-C4' energy: -93.005 flat angles C4'-P-C4' energy: -93.337 flat angles P-C4'-P energy: -52.535 tors. eta vs tors. theta energy: -48.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -728.683421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.683421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.683421 (E_RNA) where: Base-Base interactions energy: -395.593 where: short stacking energy: -237.334 Base-Backbone interact. energy: 0.494 local terms energy: -333.585013 where: bonds (distance) C4'-P energy: -80.387 bonds (distance) P-C4' energy: -96.892 flat angles C4'-P-C4' energy: -88.622 flat angles P-C4'-P energy: -46.341 tors. eta vs tors. theta energy: -21.343 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: 1, replica: 10 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -2244.593978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.593978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.593978 (E_RNA) where: Base-Base interactions energy: -1571.704 where: short stacking energy: -661.171 Base-Backbone interact. energy: -2.177 local terms energy: -670.713137 where: bonds (distance) C4'-P energy: -122.825 bonds (distance) P-C4' energy: -119.667 flat angles C4'-P-C4' energy: -141.261 flat angles P-C4'-P energy: -91.772 tors. eta vs tors. theta energy: -195.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -2168.160043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.160043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.160043 (E_RNA) where: Base-Base interactions energy: -1494.653 where: short stacking energy: -631.064 Base-Backbone interact. energy: -1.102 local terms energy: -672.405197 where: bonds (distance) C4'-P energy: -128.354 bonds (distance) P-C4' energy: -128.772 flat angles C4'-P-C4' energy: -135.836 flat angles P-C4'-P energy: -98.606 tors. eta vs tors. theta energy: -180.837 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: 495 Temperature: 1.000000 Total energy: -2155.590129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.590129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.590129 (E_RNA) where: Base-Base interactions energy: -1505.982 where: short stacking energy: -624.274 Base-Backbone interact. energy: -4.185 local terms energy: -645.422890 where: bonds (distance) C4'-P energy: -122.117 bonds (distance) P-C4' energy: -114.455 flat angles C4'-P-C4' energy: -144.080 flat angles P-C4'-P energy: -97.098 tors. eta vs tors. theta energy: -167.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1988.056422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.056422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.056422 (E_RNA) where: Base-Base interactions energy: -1408.185 where: short stacking energy: -587.512 Base-Backbone interact. energy: -2.546 local terms energy: -577.325891 where: bonds (distance) C4'-P energy: -107.645 bonds (distance) P-C4' energy: -113.239 flat angles C4'-P-C4' energy: -121.786 flat angles P-C4'-P energy: -81.040 tors. eta vs tors. theta energy: -153.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -1912.233276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.233276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.233276 (E_RNA) where: Base-Base interactions energy: -1321.671 where: short stacking energy: -566.542 Base-Backbone interact. energy: -0.609 local terms energy: -589.953060 where: bonds (distance) C4'-P energy: -103.596 bonds (distance) P-C4' energy: -113.244 flat angles C4'-P-C4' energy: -136.403 flat angles P-C4'-P energy: -74.230 tors. eta vs tors. theta energy: -162.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -1781.417160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.417160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.417160 (E_RNA) where: Base-Base interactions energy: -1235.973 where: short stacking energy: -529.400 Base-Backbone interact. energy: 1.697 local terms energy: -547.141520 where: bonds (distance) C4'-P energy: -85.331 bonds (distance) P-C4' energy: -98.767 flat angles C4'-P-C4' energy: -119.997 flat angles P-C4'-P energy: -87.971 tors. eta vs tors. theta energy: -155.076 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: 7, replica: 1 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -1565.821639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.821639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.821639 (E_RNA) where: Base-Base interactions energy: -1086.228 where: short stacking energy: -473.048 Base-Backbone interact. energy: -1.007 local terms energy: -478.586217 where: bonds (distance) C4'-P energy: -91.930 bonds (distance) P-C4' energy: -89.304 flat angles C4'-P-C4' energy: -109.693 flat angles P-C4'-P energy: -72.113 tors. eta vs tors. theta energy: -115.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -1236.287968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.287968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.287968 (E_RNA) where: Base-Base interactions energy: -811.275 where: short stacking energy: -356.799 Base-Backbone interact. energy: -2.722 local terms energy: -422.290422 where: bonds (distance) C4'-P energy: -95.995 bonds (distance) P-C4' energy: -80.569 flat angles C4'-P-C4' energy: -105.740 flat angles P-C4'-P energy: -71.642 tors. eta vs tors. theta energy: -68.345 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: 9, replica: 9 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -951.929279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.929279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.929279 (E_RNA) where: Base-Base interactions energy: -559.901 where: short stacking energy: -263.034 Base-Backbone interact. energy: -1.402 local terms energy: -390.625786 where: bonds (distance) C4'-P energy: -85.935 bonds (distance) P-C4' energy: -96.751 flat angles C4'-P-C4' energy: -97.748 flat angles P-C4'-P energy: -64.818 tors. eta vs tors. theta energy: -45.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -724.660661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.660661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.660661 (E_RNA) where: Base-Base interactions energy: -384.911 where: short stacking energy: -234.222 Base-Backbone interact. energy: -1.433 local terms energy: -338.317203 where: bonds (distance) C4'-P energy: -76.551 bonds (distance) P-C4' energy: -113.595 flat angles C4'-P-C4' energy: -85.438 flat angles P-C4'-P energy: -48.465 tors. eta vs tors. theta energy: -14.268 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: 10 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -2263.793011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.793011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.793011 (E_RNA) where: Base-Base interactions energy: -1546.800 where: short stacking energy: -676.269 Base-Backbone interact. energy: -0.060 local terms energy: -716.933482 where: bonds (distance) C4'-P energy: -126.065 bonds (distance) P-C4' energy: -129.084 flat angles C4'-P-C4' energy: -148.120 flat angles P-C4'-P energy: -101.960 tors. eta vs tors. theta energy: -211.705 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: 2, replica: 6 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -2187.340958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.340958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.340958 (E_RNA) where: Base-Base interactions energy: -1539.759 where: short stacking energy: -634.589 Base-Backbone interact. energy: -2.346 local terms energy: -645.236313 where: bonds (distance) C4'-P energy: -118.757 bonds (distance) P-C4' energy: -112.924 flat angles C4'-P-C4' energy: -139.753 flat angles P-C4'-P energy: -84.444 tors. eta vs tors. theta energy: -189.357 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: 2 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -2145.978179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.978179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.978179 (E_RNA) where: Base-Base interactions energy: -1493.849 where: short stacking energy: -625.255 Base-Backbone interact. energy: -4.477 local terms energy: -647.652188 where: bonds (distance) C4'-P energy: -118.771 bonds (distance) P-C4' energy: -108.360 flat angles C4'-P-C4' energy: -142.475 flat angles P-C4'-P energy: -91.237 tors. eta vs tors. theta energy: -186.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -1983.916349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.916349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.916349 (E_RNA) where: Base-Base interactions energy: -1365.350 where: short stacking energy: -589.328 Base-Backbone interact. energy: -3.825 local terms energy: -614.742117 where: bonds (distance) C4'-P energy: -102.473 bonds (distance) P-C4' energy: -129.067 flat angles C4'-P-C4' energy: -138.055 flat angles P-C4'-P energy: -73.843 tors. eta vs tors. theta energy: -171.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -1907.628728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.628728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.628728 (E_RNA) where: Base-Base interactions energy: -1338.918 where: short stacking energy: -553.916 Base-Backbone interact. energy: -0.129 local terms energy: -568.581947 where: bonds (distance) C4'-P energy: -109.594 bonds (distance) P-C4' energy: -101.978 flat angles C4'-P-C4' energy: -123.427 flat angles P-C4'-P energy: -90.903 tors. eta vs tors. theta energy: -142.680 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: 496 Temperature: 1.150000 Total energy: -1762.044622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.044622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.044622 (E_RNA) where: Base-Base interactions energy: -1214.857 where: short stacking energy: -501.802 Base-Backbone interact. energy: -3.070 local terms energy: -544.118188 where: bonds (distance) C4'-P energy: -109.401 bonds (distance) P-C4' energy: -111.130 flat angles C4'-P-C4' energy: -109.613 flat angles P-C4'-P energy: -85.598 tors. eta vs tors. theta energy: -128.376 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: 7, replica: 1 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -1625.738894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.738894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.738894 (E_RNA) where: Base-Base interactions energy: -1153.084 where: short stacking energy: -489.186 Base-Backbone interact. energy: -1.785 local terms energy: -470.870465 where: bonds (distance) C4'-P energy: -93.714 bonds (distance) P-C4' energy: -86.435 flat angles C4'-P-C4' energy: -115.055 flat angles P-C4'-P energy: -55.863 tors. eta vs tors. theta energy: -119.804 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: 8, replica: 8 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -1224.211436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.211436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.211436 (E_RNA) where: Base-Base interactions energy: -795.114 where: short stacking energy: -356.239 Base-Backbone interact. energy: -0.540 local terms energy: -428.557216 where: bonds (distance) C4'-P energy: -106.215 bonds (distance) P-C4' energy: -94.388 flat angles C4'-P-C4' energy: -98.238 flat angles P-C4'-P energy: -73.338 tors. eta vs tors. theta energy: -56.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -894.617563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.617563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.617563 (E_RNA) where: Base-Base interactions energy: -512.803 where: short stacking energy: -266.460 Base-Backbone interact. energy: -1.707 local terms energy: -380.107718 where: bonds (distance) C4'-P energy: -90.756 bonds (distance) P-C4' energy: -98.749 flat angles C4'-P-C4' energy: -91.066 flat angles P-C4'-P energy: -63.515 tors. eta vs tors. theta energy: -36.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -743.183565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.183565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.183565 (E_RNA) where: Base-Base interactions energy: -387.757 where: short stacking energy: -225.169 Base-Backbone interact. energy: 4.246 local terms energy: -359.672085 where: bonds (distance) C4'-P energy: -92.447 bonds (distance) P-C4' energy: -96.935 flat angles C4'-P-C4' energy: -103.460 flat angles P-C4'-P energy: -52.723 tors. eta vs tors. theta energy: -14.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -2264.877953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.877953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.877953 (E_RNA) where: Base-Base interactions energy: -1573.110 where: short stacking energy: -665.110 Base-Backbone interact. energy: -2.085 local terms energy: -689.683456 where: bonds (distance) C4'-P energy: -127.187 bonds (distance) P-C4' energy: -118.875 flat angles C4'-P-C4' energy: -142.901 flat angles P-C4'-P energy: -96.032 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: 2, replica: 6 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -2170.863131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.863131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.863131 (E_RNA) where: Base-Base interactions energy: -1517.353 where: short stacking energy: -647.279 Base-Backbone interact. energy: -2.017 local terms energy: -651.493599 where: bonds (distance) C4'-P energy: -115.393 bonds (distance) P-C4' energy: -118.232 flat angles C4'-P-C4' energy: -133.404 flat angles P-C4'-P energy: -97.463 tors. eta vs tors. theta energy: -187.000 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: 497 Temperature: 1.000000 Total energy: -2122.070617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.070617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.070617 (E_RNA) where: Base-Base interactions energy: -1476.843 where: short stacking energy: -615.191 Base-Backbone interact. energy: -4.013 local terms energy: -641.214363 where: bonds (distance) C4'-P energy: -111.024 bonds (distance) P-C4' energy: -115.216 flat angles C4'-P-C4' energy: -139.872 flat angles P-C4'-P energy: -90.941 tors. eta vs tors. theta energy: -184.163 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: 5 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -1968.917089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.917089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.917089 (E_RNA) where: Base-Base interactions energy: -1365.193 where: short stacking energy: -577.412 Base-Backbone interact. energy: -0.630 local terms energy: -603.093777 where: bonds (distance) C4'-P energy: -111.287 bonds (distance) P-C4' energy: -117.384 flat angles C4'-P-C4' energy: -135.963 flat angles P-C4'-P energy: -84.117 tors. eta vs tors. theta energy: -154.342 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: 7 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -1934.656211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.656211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.656211 (E_RNA) where: Base-Base interactions energy: -1357.181 where: short stacking energy: -567.852 Base-Backbone interact. energy: 1.111 local terms energy: -578.586180 where: bonds (distance) C4'-P energy: -102.099 bonds (distance) P-C4' energy: -99.958 flat angles C4'-P-C4' energy: -130.017 flat angles P-C4'-P energy: -85.880 tors. eta vs tors. theta energy: -160.633 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: 497 Temperature: 1.150000 Total energy: -1789.496149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.496149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.496149 (E_RNA) where: Base-Base interactions energy: -1241.207 where: short stacking energy: -511.293 Base-Backbone interact. energy: -0.575 local terms energy: -547.714595 where: bonds (distance) C4'-P energy: -115.996 bonds (distance) P-C4' energy: -101.787 flat angles C4'-P-C4' energy: -122.940 flat angles P-C4'-P energy: -64.023 tors. eta vs tors. theta energy: -142.969 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: 7, replica: 1 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -1570.581667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.581667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.581667 (E_RNA) where: Base-Base interactions energy: -1065.154 where: short stacking energy: -475.320 Base-Backbone interact. energy: 7.764 local terms energy: -513.191908 where: bonds (distance) C4'-P energy: -95.117 bonds (distance) P-C4' energy: -115.126 flat angles C4'-P-C4' energy: -120.900 flat angles P-C4'-P energy: -73.203 tors. eta vs tors. theta energy: -108.845 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: 8, replica: 8 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -1205.239006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.239006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.239006 (E_RNA) where: Base-Base interactions energy: -795.551 where: short stacking energy: -363.213 Base-Backbone interact. energy: -2.023 local terms energy: -407.665323 where: bonds (distance) C4'-P energy: -99.109 bonds (distance) P-C4' energy: -98.880 flat angles C4'-P-C4' energy: -87.046 flat angles P-C4'-P energy: -52.148 tors. eta vs tors. theta energy: -70.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -904.759386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.759386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.759386 (E_RNA) where: Base-Base interactions energy: -517.140 where: short stacking energy: -260.492 Base-Backbone interact. energy: -0.353 local terms energy: -387.266127 where: bonds (distance) C4'-P energy: -100.951 bonds (distance) P-C4' energy: -93.093 flat angles C4'-P-C4' energy: -107.832 flat angles P-C4'-P energy: -73.578 tors. eta vs tors. theta energy: -11.812 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: 10, replica: 4 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -740.641469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.641469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.641469 (E_RNA) where: Base-Base interactions energy: -392.625 where: short stacking energy: -205.825 Base-Backbone interact. energy: 6.625 local terms energy: -354.642079 where: bonds (distance) C4'-P energy: -103.967 bonds (distance) P-C4' energy: -86.914 flat angles C4'-P-C4' energy: -91.524 flat angles P-C4'-P energy: -65.488 tors. eta vs tors. theta energy: -6.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -2244.004163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.004163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.004163 (E_RNA) where: Base-Base interactions energy: -1562.446 where: short stacking energy: -656.778 Base-Backbone interact. energy: -1.815 local terms energy: -679.742832 where: bonds (distance) C4'-P energy: -130.376 bonds (distance) P-C4' energy: -130.748 flat angles C4'-P-C4' energy: -130.303 flat angles P-C4'-P energy: -99.757 tors. eta vs tors. theta energy: -188.558 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: 10 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -2233.935164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.935164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.935164 (E_RNA) where: Base-Base interactions energy: -1559.457 where: short stacking energy: -657.504 Base-Backbone interact. energy: 0.929 local terms energy: -675.406833 where: bonds (distance) C4'-P energy: -117.933 bonds (distance) P-C4' energy: -119.911 flat angles C4'-P-C4' energy: -143.305 flat angles P-C4'-P energy: -94.080 tors. eta vs tors. theta energy: -200.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -2127.185691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.185691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.185691 (E_RNA) where: Base-Base interactions energy: -1495.074 where: short stacking energy: -643.464 Base-Backbone interact. energy: -1.100 local terms energy: -631.011737 where: bonds (distance) C4'-P energy: -106.759 bonds (distance) P-C4' energy: -113.031 flat angles C4'-P-C4' energy: -130.681 flat angles P-C4'-P energy: -95.341 tors. eta vs tors. theta energy: -185.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -2025.027020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.027020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.027020 (E_RNA) where: Base-Base interactions energy: -1437.458 where: short stacking energy: -603.786 Base-Backbone interact. energy: -0.309 local terms energy: -587.260586 where: bonds (distance) C4'-P energy: -103.925 bonds (distance) P-C4' energy: -110.606 flat angles C4'-P-C4' energy: -125.694 flat angles P-C4'-P energy: -85.903 tors. eta vs tors. theta energy: -161.132 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: 5, replica: 7 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -1911.765259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.765259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.765259 (E_RNA) where: Base-Base interactions energy: -1309.799 where: short stacking energy: -529.175 Base-Backbone interact. energy: -2.261 local terms energy: -599.705419 where: bonds (distance) C4'-P energy: -110.166 bonds (distance) P-C4' energy: -122.280 flat angles C4'-P-C4' energy: -132.942 flat angles P-C4'-P energy: -83.237 tors. eta vs tors. theta energy: -151.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -1800.659878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.659878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.659878 (E_RNA) where: Base-Base interactions energy: -1231.426 where: short stacking energy: -507.847 Base-Backbone interact. energy: 2.433 local terms energy: -571.667120 where: bonds (distance) C4'-P energy: -100.933 bonds (distance) P-C4' energy: -114.421 flat angles C4'-P-C4' energy: -126.011 flat angles P-C4'-P energy: -87.881 tors. eta vs tors. theta energy: -142.422 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: 7, replica: 1 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -1626.219895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.219895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.219895 (E_RNA) where: Base-Base interactions energy: -1100.646 where: short stacking energy: -460.557 Base-Backbone interact. energy: 0.309 local terms energy: -525.882603 where: bonds (distance) C4'-P energy: -94.985 bonds (distance) P-C4' energy: -103.765 flat angles C4'-P-C4' energy: -127.775 flat angles P-C4'-P energy: -78.244 tors. eta vs tors. theta energy: -121.114 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: 8 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -1213.588427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.588427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.588427 (E_RNA) where: Base-Base interactions energy: -800.609 where: short stacking energy: -361.509 Base-Backbone interact. energy: 1.337 local terms energy: -414.316806 where: bonds (distance) C4'-P energy: -82.645 bonds (distance) P-C4' energy: -98.541 flat angles C4'-P-C4' energy: -104.679 flat angles P-C4'-P energy: -59.705 tors. eta vs tors. theta energy: -68.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -905.453928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.453928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.453928 (E_RNA) where: Base-Base interactions energy: -527.838 where: short stacking energy: -265.915 Base-Backbone interact. energy: 1.559 local terms energy: -379.174971 where: bonds (distance) C4'-P energy: -96.022 bonds (distance) P-C4' energy: -103.702 flat angles C4'-P-C4' energy: -89.018 flat angles P-C4'-P energy: -68.399 tors. eta vs tors. theta energy: -22.034 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: 4 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -736.692194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.692194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.692194 (E_RNA) where: Base-Base interactions energy: -384.267 where: short stacking energy: -218.067 Base-Backbone interact. energy: -3.146 local terms energy: -349.279618 where: bonds (distance) C4'-P energy: -96.869 bonds (distance) P-C4' energy: -94.212 flat angles C4'-P-C4' energy: -109.015 flat angles P-C4'-P energy: -42.052 tors. eta vs tors. theta energy: -7.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -2229.302634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.302634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.302634 (E_RNA) where: Base-Base interactions energy: -1554.356 where: short stacking energy: -658.517 Base-Backbone interact. energy: 0.532 local terms energy: -675.478257 where: bonds (distance) C4'-P energy: -120.984 bonds (distance) P-C4' energy: -132.167 flat angles C4'-P-C4' energy: -135.132 flat angles P-C4'-P energy: -98.197 tors. eta vs tors. theta energy: -188.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -2228.893915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.893915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.893915 (E_RNA) where: Base-Base interactions energy: -1556.477 where: short stacking energy: -663.973 Base-Backbone interact. energy: -4.403 local terms energy: -668.013655 where: bonds (distance) C4'-P energy: -114.764 bonds (distance) P-C4' energy: -129.814 flat angles C4'-P-C4' energy: -136.690 flat angles P-C4'-P energy: -98.397 tors. eta vs tors. theta energy: -188.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -2122.522734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.522734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.522734 (E_RNA) where: Base-Base interactions energy: -1470.660 where: short stacking energy: -620.390 Base-Backbone interact. energy: -4.050 local terms energy: -647.812704 where: bonds (distance) C4'-P energy: -120.650 bonds (distance) P-C4' energy: -124.792 flat angles C4'-P-C4' energy: -142.950 flat angles P-C4'-P energy: -85.498 tors. eta vs tors. theta energy: -173.923 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: 5 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -1984.773180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.773180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.773180 (E_RNA) where: Base-Base interactions energy: -1409.001 where: short stacking energy: -583.074 Base-Backbone interact. energy: 1.329 local terms energy: -577.100888 where: bonds (distance) C4'-P energy: -101.197 bonds (distance) P-C4' energy: -108.219 flat angles C4'-P-C4' energy: -129.867 flat angles P-C4'-P energy: -86.310 tors. eta vs tors. theta energy: -151.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -1908.790078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.790078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.790078 (E_RNA) where: Base-Base interactions energy: -1356.504 where: short stacking energy: -579.951 Base-Backbone interact. energy: 2.830 local terms energy: -555.115637 where: bonds (distance) C4'-P energy: -107.241 bonds (distance) P-C4' energy: -90.595 flat angles C4'-P-C4' energy: -128.235 flat angles P-C4'-P energy: -79.929 tors. eta vs tors. theta energy: -149.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -1829.032231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.032231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.032231 (E_RNA) where: Base-Base interactions energy: -1286.902 where: short stacking energy: -526.503 Base-Backbone interact. energy: -3.866 local terms energy: -538.264324 where: bonds (distance) C4'-P energy: -113.075 bonds (distance) P-C4' energy: -100.281 flat angles C4'-P-C4' energy: -116.195 flat angles P-C4'-P energy: -81.882 tors. eta vs tors. theta energy: -126.831 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: 1 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -1597.792016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.792016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.792016 (E_RNA) where: Base-Base interactions energy: -1092.574 where: short stacking energy: -462.202 Base-Backbone interact. energy: -1.129 local terms energy: -504.089417 where: bonds (distance) C4'-P energy: -107.445 bonds (distance) P-C4' energy: -107.998 flat angles C4'-P-C4' energy: -125.655 flat angles P-C4'-P energy: -56.083 tors. eta vs tors. theta energy: -106.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -1226.372217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.372217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.372217 (E_RNA) where: Base-Base interactions energy: -778.547 where: short stacking energy: -366.324 Base-Backbone interact. energy: -1.642 local terms energy: -446.182901 where: bonds (distance) C4'-P energy: -107.980 bonds (distance) P-C4' energy: -123.018 flat angles C4'-P-C4' energy: -91.148 flat angles P-C4'-P energy: -62.721 tors. eta vs tors. theta energy: -61.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -924.518469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.518469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.518469 (E_RNA) where: Base-Base interactions energy: -533.559 where: short stacking energy: -266.639 Base-Backbone interact. energy: 0.399 local terms energy: -391.357821 where: bonds (distance) C4'-P energy: -94.103 bonds (distance) P-C4' energy: -105.998 flat angles C4'-P-C4' energy: -96.518 flat angles P-C4'-P energy: -67.059 tors. eta vs tors. theta energy: -27.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -773.655366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.655366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.655366 (E_RNA) where: Base-Base interactions energy: -462.995 where: short stacking energy: -228.882 Base-Backbone interact. energy: -0.159 local terms energy: -310.501230 where: bonds (distance) C4'-P energy: -70.491 bonds (distance) P-C4' energy: -97.658 flat angles C4'-P-C4' energy: -77.363 flat angles P-C4'-P energy: -58.196 tors. eta vs tors. theta energy: -6.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -2243.934861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.934861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.934861 (E_RNA) where: Base-Base interactions energy: -1554.885 where: short stacking energy: -682.762 Base-Backbone interact. energy: -4.721 local terms energy: -684.328771 where: bonds (distance) C4'-P energy: -123.978 bonds (distance) P-C4' energy: -119.347 flat angles C4'-P-C4' energy: -145.303 flat angles P-C4'-P energy: -97.715 tors. eta vs tors. theta energy: -197.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -2215.581625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.581625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.581625 (E_RNA) where: Base-Base interactions energy: -1556.662 where: short stacking energy: -660.922 Base-Backbone interact. energy: -2.198 local terms energy: -656.721638 where: bonds (distance) C4'-P energy: -110.354 bonds (distance) P-C4' energy: -105.844 flat angles C4'-P-C4' energy: -143.968 flat angles P-C4'-P energy: -93.738 tors. eta vs tors. theta energy: -202.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -2093.571346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.571346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.571346 (E_RNA) where: Base-Base interactions energy: -1453.092 where: short stacking energy: -601.437 Base-Backbone interact. energy: -2.369 local terms energy: -638.109736 where: bonds (distance) C4'-P energy: -126.573 bonds (distance) P-C4' energy: -111.126 flat angles C4'-P-C4' energy: -146.376 flat angles P-C4'-P energy: -85.701 tors. eta vs tors. theta energy: -168.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -1964.247824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.247824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.247824 (E_RNA) where: Base-Base interactions energy: -1338.088 where: short stacking energy: -564.591 Base-Backbone interact. energy: -3.645 local terms energy: -622.515002 where: bonds (distance) C4'-P energy: -111.326 bonds (distance) P-C4' energy: -139.262 flat angles C4'-P-C4' energy: -129.821 flat angles P-C4'-P energy: -79.338 tors. eta vs tors. theta energy: -162.769 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: 7 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -1930.986479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.986479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.986479 (E_RNA) where: Base-Base interactions energy: -1349.258 where: short stacking energy: -573.835 Base-Backbone interact. energy: -2.736 local terms energy: -578.991953 where: bonds (distance) C4'-P energy: -94.408 bonds (distance) P-C4' energy: -116.555 flat angles C4'-P-C4' energy: -122.126 flat angles P-C4'-P energy: -90.612 tors. eta vs tors. theta energy: -155.292 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: 6, replica: 3 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -1795.310792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.310792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.310792 (E_RNA) where: Base-Base interactions energy: -1254.997 where: short stacking energy: -533.435 Base-Backbone interact. energy: 0.901 local terms energy: -541.215265 where: bonds (distance) C4'-P energy: -93.303 bonds (distance) P-C4' energy: -102.055 flat angles C4'-P-C4' energy: -122.230 flat angles P-C4'-P energy: -80.750 tors. eta vs tors. theta energy: -142.876 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: 7, replica: 1 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -1581.090933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.090933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.090933 (E_RNA) where: Base-Base interactions energy: -1057.131 where: short stacking energy: -436.750 Base-Backbone interact. energy: -2.909 local terms energy: -521.051054 where: bonds (distance) C4'-P energy: -116.785 bonds (distance) P-C4' energy: -97.501 flat angles C4'-P-C4' energy: -122.333 flat angles P-C4'-P energy: -73.667 tors. eta vs tors. theta energy: -110.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -1231.036044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.036044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.036044 (E_RNA) where: Base-Base interactions energy: -837.842 where: short stacking energy: -372.541 Base-Backbone interact. energy: -0.884 local terms energy: -392.310031 where: bonds (distance) C4'-P energy: -102.395 bonds (distance) P-C4' energy: -83.654 flat angles C4'-P-C4' energy: -76.012 flat angles P-C4'-P energy: -62.712 tors. eta vs tors. theta energy: -67.537 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: 9, replica: 4 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -807.971560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.971560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.971560 (E_RNA) where: Base-Base interactions energy: -427.006 where: short stacking energy: -221.320 Base-Backbone interact. energy: -0.373 local terms energy: -380.592722 where: bonds (distance) C4'-P energy: -84.729 bonds (distance) P-C4' energy: -117.187 flat angles C4'-P-C4' energy: -106.204 flat angles P-C4'-P energy: -51.612 tors. eta vs tors. theta energy: -20.861 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: 500 Temperature: 1.350000 Total energy: -883.226907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.226907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.226907 (E_RNA) where: Base-Base interactions energy: -519.888 where: short stacking energy: -261.816 Base-Backbone interact. energy: 6.993 local terms energy: -370.331750 where: bonds (distance) C4'-P energy: -113.794 bonds (distance) P-C4' energy: -112.892 flat angles C4'-P-C4' energy: -91.045 flat angles P-C4'-P energy: -43.826 tors. eta vs tors. theta energy: -8.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -2237.016644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.016644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.016644 (E_RNA) where: Base-Base interactions energy: -1557.347 where: short stacking energy: -682.369 Base-Backbone interact. energy: -3.195 local terms energy: -676.474846 where: bonds (distance) C4'-P energy: -114.893 bonds (distance) P-C4' energy: -118.165 flat angles C4'-P-C4' energy: -139.530 flat angles P-C4'-P energy: -108.435 tors. eta vs tors. theta energy: -195.453 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: 10 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -2185.268809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.268809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.268809 (E_RNA) where: Base-Base interactions energy: -1524.371 where: short stacking energy: -650.748 Base-Backbone interact. energy: -0.782 local terms energy: -660.115930 where: bonds (distance) C4'-P energy: -117.044 bonds (distance) P-C4' energy: -115.616 flat angles C4'-P-C4' energy: -144.282 flat angles P-C4'-P energy: -91.059 tors. eta vs tors. theta energy: -192.115 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: 501 Temperature: 1.000000 Total energy: -2136.373792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.373792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.373792 (E_RNA) where: Base-Base interactions energy: -1533.725 where: short stacking energy: -625.648 Base-Backbone interact. energy: -4.243 local terms energy: -598.405999 where: bonds (distance) C4'-P energy: -108.183 bonds (distance) P-C4' energy: -106.338 flat angles C4'-P-C4' energy: -143.372 flat angles P-C4'-P energy: -60.239 tors. eta vs tors. theta energy: -180.273 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: 5 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -1959.051908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.051908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.051908 (E_RNA) where: Base-Base interactions energy: -1383.884 where: short stacking energy: -602.789 Base-Backbone interact. energy: -3.633 local terms energy: -571.534857 where: bonds (distance) C4'-P energy: -103.290 bonds (distance) P-C4' energy: -102.576 flat angles C4'-P-C4' energy: -116.982 flat angles P-C4'-P energy: -88.710 tors. eta vs tors. theta energy: -159.977 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: 7 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -1957.122581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.122581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.122581 (E_RNA) where: Base-Base interactions energy: -1366.683 where: short stacking energy: -562.973 Base-Backbone interact. energy: 2.151 local terms energy: -592.590277 where: bonds (distance) C4'-P energy: -117.127 bonds (distance) P-C4' energy: -110.594 flat angles C4'-P-C4' energy: -119.159 flat angles P-C4'-P energy: -87.140 tors. eta vs tors. theta energy: -158.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -1804.714714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.714714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.714714 (E_RNA) where: Base-Base interactions energy: -1237.489 where: short stacking energy: -521.046 Base-Backbone interact. energy: 1.062 local terms energy: -568.287156 where: bonds (distance) C4'-P energy: -106.464 bonds (distance) P-C4' energy: -108.236 flat angles C4'-P-C4' energy: -127.149 flat angles P-C4'-P energy: -76.516 tors. eta vs tors. theta energy: -149.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -1614.337476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.337476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.337476 (E_RNA) where: Base-Base interactions energy: -1112.925 where: short stacking energy: -474.194 Base-Backbone interact. energy: 3.229 local terms energy: -504.641366 where: bonds (distance) C4'-P energy: -97.245 bonds (distance) P-C4' energy: -115.830 flat angles C4'-P-C4' energy: -113.182 flat angles P-C4'-P energy: -56.044 tors. eta vs tors. theta energy: -122.340 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: 8 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -1274.664468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.664468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.664468 (E_RNA) where: Base-Base interactions energy: -825.556 where: short stacking energy: -377.284 Base-Backbone interact. energy: 3.903 local terms energy: -453.012058 where: bonds (distance) C4'-P energy: -102.734 bonds (distance) P-C4' energy: -99.657 flat angles C4'-P-C4' energy: -101.349 flat angles P-C4'-P energy: -77.671 tors. eta vs tors. theta energy: -71.601 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: 9, replica: 4 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -819.424333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.424333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.424333 (E_RNA) where: Base-Base interactions energy: -442.804 where: short stacking energy: -244.660 Base-Backbone interact. energy: -1.326 local terms energy: -375.294524 where: bonds (distance) C4'-P energy: -96.893 bonds (distance) P-C4' energy: -109.265 flat angles C4'-P-C4' energy: -102.697 flat angles P-C4'-P energy: -49.152 tors. eta vs tors. theta energy: -17.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -806.069365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.069365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.069365 (E_RNA) where: Base-Base interactions energy: -459.442 where: short stacking energy: -259.323 Base-Backbone interact. energy: 8.811 local terms energy: -355.438275 where: bonds (distance) C4'-P energy: -96.098 bonds (distance) P-C4' energy: -114.458 flat angles C4'-P-C4' energy: -74.700 flat angles P-C4'-P energy: -56.907 tors. eta vs tors. theta energy: -13.276 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) replica 6 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 136238317 moves confirmed later: 157526304 all moves confirmed: 293764621 percent of confirmed moves: 36.720578 current total energy: -2128.455091 recalc. total energy: -2128.455091 replica 10 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 124671812 moves confirmed later: 142446539 all moves confirmed: 267118351 percent of confirmed moves: 33.389794 current total energy: -2112.078477 recalc. total energy: -2112.078477 replica 2 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 101473608 moves confirmed later: 111905336 all moves confirmed: 213378944 percent of confirmed moves: 26.672368 current total energy: -2063.923728 recalc. total energy: -2063.923728 replica 5 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 93563310 moves confirmed later: 101411973 all moves confirmed: 194975283 percent of confirmed moves: 24.371910 current total energy: -1835.996148 recalc. total energy: -1835.996148 replica 7 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 101663655 moves confirmed later: 111684413 all moves confirmed: 213348068 percent of confirmed moves: 26.668509 current total energy: -1884.934111 recalc. total energy: -1884.934111 replica 3 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 94109137 moves confirmed later: 101902286 all moves confirmed: 196011423 percent of confirmed moves: 24.501428 current total energy: -1582.999298 recalc. total energy: -1582.999298 replica 1 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 155932179 moves confirmed later: 182840448 all moves confirmed: 338772627 percent of confirmed moves: 42.346578 current total energy: -1583.786397 recalc. total energy: -1583.786397 replica 8 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 130375531 moves confirmed later: 149487512 all moves confirmed: 279863043 percent of confirmed moves: 34.982880 current total energy: -1159.542492 recalc. total energy: -1159.542492 replica 4 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 221942003 moves confirmed later: 269130509 all moves confirmed: 491072512 percent of confirmed moves: 61.384064 current total energy: -667.976689 recalc. total energy: -667.976689 replica 9 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 165715588 moves confirmed later: 195524822 all moves confirmed: 361240410 percent of confirmed moves: 45.155051 current total energy: -636.650328 recalc. total energy: -636.650328 Time of doing 8000000 iterations: 44948.996 seconds