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/Y220C-0bece798/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Y220C-0bece798/inputs/seq.fa: 1 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG 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 242 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: 1215 n_atoms_counter: 1215 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 242.000000 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/Y220C-0bece798/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Y220C-0bece798/inputs/seq.fa: 1 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG 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 242 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: 1215 n_atoms_counter: 1215 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 242.000000 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/Y220C-0bece798/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Y220C-0bece798/inputs/seq.fa: 1 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG 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 242 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: 1215 n_atoms_counter: 1215 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 242.000000 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/Y220C-0bece798/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Y220C-0bece798/inputs/seq.fa: 1 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG 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 242 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: 1215 n_atoms_counter: 1215 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 242.000000 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/Y220C-0bece798/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Y220C-0bece798/inputs/seq.fa: 1 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG 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 242 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: 1215 n_atoms_counter: 1215 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 242.000000 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/Y220C-0bece798/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Y220C-0bece798/inputs/seq.fa: 1 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG 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 242 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: 1215 n_atoms_counter: 1215 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 242.000000 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/Y220C-0bece798/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Y220C-0bece798/inputs/seq.fa: 1 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG 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 242 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: 1215 n_atoms_counter: 1215 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 242.000000 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/Y220C-0bece798/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Y220C-0bece798/inputs/seq.fa: 1 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG 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 242 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: 1215 n_atoms_counter: 1215 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 242.000000 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/Y220C-0bece798/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Y220C-0bece798/inputs/seq.fa: 1 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG 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 242 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: 1215 n_atoms_counter: 1215 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 242.000000 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/Y220C-0bece798/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Y220C-0bece798/inputs/seq.fa: 1 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG 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 242 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: 1215 n_atoms_counter: 1215 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 242.000000 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: -974.954405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.954405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.954405 (E_RNA) where: Base-Base interactions energy: -33.126 where: short stacking energy: -33.126 Base-Backbone interact. energy: -0.000 local terms energy: -941.828440 where: bonds (distance) C4'-P energy: -235.122 bonds (distance) P-C4' energy: -217.400 flat angles C4'-P-C4' energy: -177.682 flat angles P-C4'-P energy: -203.250 tors. eta vs tors. theta energy: -108.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -974.954405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.954405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.954405 (E_RNA) where: Base-Base interactions energy: -33.126 where: short stacking energy: -33.126 Base-Backbone interact. energy: -0.000 local terms energy: -941.828440 where: bonds (distance) C4'-P energy: -235.122 bonds (distance) P-C4' energy: -217.400 flat angles C4'-P-C4' energy: -177.682 flat angles P-C4'-P energy: -203.250 tors. eta vs tors. theta energy: -108.374 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: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -974.954405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.954405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.954405 (E_RNA) where: Base-Base interactions energy: -33.126 where: short stacking energy: -33.126 Base-Backbone interact. energy: -0.000 local terms energy: -941.828440 where: bonds (distance) C4'-P energy: -235.122 bonds (distance) P-C4' energy: -217.400 flat angles C4'-P-C4' energy: -177.682 flat angles P-C4'-P energy: -203.250 tors. eta vs tors. theta energy: -108.374 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -974.954405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.954405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.954405 (E_RNA) where: Base-Base interactions energy: -33.126 where: short stacking energy: -33.126 Base-Backbone interact. energy: -0.000 local terms energy: -941.828440 where: bonds (distance) C4'-P energy: -235.122 bonds (distance) P-C4' energy: -217.400 flat angles C4'-P-C4' energy: -177.682 flat angles P-C4'-P energy: -203.250 tors. eta vs tors. theta energy: -108.374 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: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -974.954405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.954405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.954405 (E_RNA) where: Base-Base interactions energy: -33.126 where: short stacking energy: -33.126 Base-Backbone interact. energy: -0.000 local terms energy: -941.828440 where: bonds (distance) C4'-P energy: -235.122 bonds (distance) P-C4' energy: -217.400 flat angles C4'-P-C4' energy: -177.682 flat angles P-C4'-P energy: -203.250 tors. eta vs tors. theta energy: -108.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -974.954405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.954405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.954405 (E_RNA) where: Base-Base interactions energy: -33.126 where: short stacking energy: -33.126 Base-Backbone interact. energy: -0.000 local terms energy: -941.828440 where: bonds (distance) C4'-P energy: -235.122 bonds (distance) P-C4' energy: -217.400 flat angles C4'-P-C4' energy: -177.682 flat angles P-C4'-P energy: -203.250 tors. eta vs tors. theta energy: -108.374 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: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -974.954405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.954405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.954405 (E_RNA) where: Base-Base interactions energy: -33.126 where: short stacking energy: -33.126 Base-Backbone interact. energy: -0.000 local terms energy: -941.828440 where: bonds (distance) C4'-P energy: -235.122 bonds (distance) P-C4' energy: -217.400 flat angles C4'-P-C4' energy: -177.682 flat angles P-C4'-P energy: -203.250 tors. eta vs tors. theta energy: -108.374 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -974.954405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.954405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.954405 (E_RNA) where: Base-Base interactions energy: -33.126 where: short stacking energy: -33.126 Base-Backbone interact. energy: -0.000 local terms energy: -941.828440 where: bonds (distance) C4'-P energy: -235.122 bonds (distance) P-C4' energy: -217.400 flat angles C4'-P-C4' energy: -177.682 flat angles P-C4'-P energy: -203.250 tors. eta vs tors. theta energy: -108.374 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: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -974.954405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.954405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.954405 (E_RNA) where: Base-Base interactions energy: -33.126 where: short stacking energy: -33.126 Base-Backbone interact. energy: -0.000 local terms energy: -941.828440 where: bonds (distance) C4'-P energy: -235.122 bonds (distance) P-C4' energy: -217.400 flat angles C4'-P-C4' energy: -177.682 flat angles P-C4'-P energy: -203.250 tors. eta vs tors. theta energy: -108.374 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: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -974.954405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.954405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.954405 (E_RNA) where: Base-Base interactions energy: -33.126 where: short stacking energy: -33.126 Base-Backbone interact. energy: -0.000 local terms energy: -941.828440 where: bonds (distance) C4'-P energy: -235.122 bonds (distance) P-C4' energy: -217.400 flat angles C4'-P-C4' energy: -177.682 flat angles P-C4'-P energy: -203.250 tors. eta vs tors. theta energy: -108.374 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1171.131768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.131768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.131768 (E_RNA) where: Base-Base interactions energy: -479.385 where: short stacking energy: -477.515 Base-Backbone interact. energy: 0.818 local terms energy: -692.564688 where: bonds (distance) C4'-P energy: -156.713 bonds (distance) P-C4' energy: -174.094 flat angles C4'-P-C4' energy: -153.365 flat angles P-C4'-P energy: -88.260 tors. eta vs tors. theta energy: -120.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1117.727332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.727332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.727332 (E_RNA) where: Base-Base interactions energy: -434.724 where: short stacking energy: -433.731 Base-Backbone interact. energy: -0.152 local terms energy: -682.851211 where: bonds (distance) C4'-P energy: -141.973 bonds (distance) P-C4' energy: -168.799 flat angles C4'-P-C4' energy: -149.512 flat angles P-C4'-P energy: -103.001 tors. eta vs tors. theta energy: -119.566 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: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -1037.945444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.945444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.945444 (E_RNA) where: Base-Base interactions energy: -409.014 where: short stacking energy: -407.452 Base-Backbone interact. energy: -0.049 local terms energy: -628.882723 where: bonds (distance) C4'-P energy: -140.360 bonds (distance) P-C4' energy: -159.581 flat angles C4'-P-C4' energy: -150.836 flat angles P-C4'-P energy: -81.079 tors. eta vs tors. theta energy: -97.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -978.835085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.835085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.835085 (E_RNA) where: Base-Base interactions energy: -38.805 where: short stacking energy: -38.805 Base-Backbone interact. energy: -0.000 local terms energy: -940.029732 where: bonds (distance) C4'-P energy: -233.288 bonds (distance) P-C4' energy: -216.429 flat angles C4'-P-C4' energy: -177.960 flat angles P-C4'-P energy: -202.888 tors. eta vs tors. theta energy: -109.465 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -980.174996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.174996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.174996 (E_RNA) where: Base-Base interactions energy: -78.371 where: short stacking energy: -78.371 Base-Backbone interact. energy: -0.000 local terms energy: -901.803975 where: bonds (distance) C4'-P energy: -212.896 bonds (distance) P-C4' energy: -197.118 flat angles C4'-P-C4' energy: -180.305 flat angles P-C4'-P energy: -196.044 tors. eta vs tors. theta energy: -115.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -979.352784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.352784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.352784 (E_RNA) where: Base-Base interactions energy: -74.397 where: short stacking energy: -74.397 Base-Backbone interact. energy: -0.000 local terms energy: -904.955240 where: bonds (distance) C4'-P energy: -216.304 bonds (distance) P-C4' energy: -199.140 flat angles C4'-P-C4' energy: -179.152 flat angles P-C4'-P energy: -195.517 tors. eta vs tors. theta energy: -114.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -976.429635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.429635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.429635 (E_RNA) where: Base-Base interactions energy: -37.772 where: short stacking energy: -37.772 Base-Backbone interact. energy: -0.000 local terms energy: -938.657259 where: bonds (distance) C4'-P energy: -232.932 bonds (distance) P-C4' energy: -216.171 flat angles C4'-P-C4' energy: -177.706 flat angles P-C4'-P energy: -202.707 tors. eta vs tors. theta energy: -109.141 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: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -977.161416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.161416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.161416 (E_RNA) where: Base-Base interactions energy: -42.124 where: short stacking energy: -42.124 Base-Backbone interact. energy: -0.000 local terms energy: -935.037378 where: bonds (distance) C4'-P energy: -231.322 bonds (distance) P-C4' energy: -213.617 flat angles C4'-P-C4' energy: -178.029 flat angles P-C4'-P energy: -201.544 tors. eta vs tors. theta energy: -110.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -979.711765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.711765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.711765 (E_RNA) where: Base-Base interactions energy: -108.971 where: short stacking energy: -108.971 Base-Backbone interact. energy: -0.000 local terms energy: -870.739977 where: bonds (distance) C4'-P energy: -201.740 bonds (distance) P-C4' energy: -185.354 flat angles C4'-P-C4' energy: -178.038 flat angles P-C4'-P energy: -190.448 tors. eta vs tors. theta energy: -115.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -975.180034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.180034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.180034 (E_RNA) where: Base-Base interactions energy: -40.126 where: short stacking energy: -40.126 Base-Backbone interact. energy: -0.000 local terms energy: -935.053958 where: bonds (distance) C4'-P energy: -231.375 bonds (distance) P-C4' energy: -213.625 flat angles C4'-P-C4' energy: -178.305 flat angles P-C4'-P energy: -202.139 tors. eta vs tors. theta energy: -109.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1210.179002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.179002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.179002 (E_RNA) where: Base-Base interactions energy: -534.604 where: short stacking energy: -493.373 Base-Backbone interact. energy: -0.674 local terms energy: -674.900863 where: bonds (distance) C4'-P energy: -143.189 bonds (distance) P-C4' energy: -161.307 flat angles C4'-P-C4' energy: -146.416 flat angles P-C4'-P energy: -105.248 tors. eta vs tors. theta energy: -118.741 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: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1156.122223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.122223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.122223 (E_RNA) where: Base-Base interactions energy: -467.806 where: short stacking energy: -454.913 Base-Backbone interact. energy: 0.313 local terms energy: -688.628775 where: bonds (distance) C4'-P energy: -147.898 bonds (distance) P-C4' energy: -156.916 flat angles C4'-P-C4' energy: -160.169 flat angles P-C4'-P energy: -107.516 tors. eta vs tors. theta energy: -116.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1060.803109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.803109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.803109 (E_RNA) where: Base-Base interactions energy: -443.753 where: short stacking energy: -409.888 Base-Backbone interact. energy: -0.456 local terms energy: -616.593656 where: bonds (distance) C4'-P energy: -145.492 bonds (distance) P-C4' energy: -149.196 flat angles C4'-P-C4' energy: -130.295 flat angles P-C4'-P energy: -90.867 tors. eta vs tors. theta energy: -100.745 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: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -950.111462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.111462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.111462 (E_RNA) where: Base-Base interactions energy: -363.217 where: short stacking energy: -352.766 Base-Backbone interact. energy: -0.194 local terms energy: -586.700790 where: bonds (distance) C4'-P energy: -138.226 bonds (distance) P-C4' energy: -139.842 flat angles C4'-P-C4' energy: -151.095 flat angles P-C4'-P energy: -95.180 tors. eta vs tors. theta energy: -62.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -859.583504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.583504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.583504 (E_RNA) where: Base-Base interactions energy: -313.846 where: short stacking energy: -309.513 Base-Backbone interact. energy: 0.471 local terms energy: -546.208237 where: bonds (distance) C4'-P energy: -129.631 bonds (distance) P-C4' energy: -146.272 flat angles C4'-P-C4' energy: -120.243 flat angles P-C4'-P energy: -92.367 tors. eta vs tors. theta energy: -57.696 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: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -845.151979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.151979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.151979 (E_RNA) where: Base-Base interactions energy: -328.384 where: short stacking energy: -313.967 Base-Backbone interact. energy: -0.134 local terms energy: -516.633647 where: bonds (distance) C4'-P energy: -137.330 bonds (distance) P-C4' energy: -131.145 flat angles C4'-P-C4' energy: -117.176 flat angles P-C4'-P energy: -72.688 tors. eta vs tors. theta energy: -58.294 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: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -768.121871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.121871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.121871 (E_RNA) where: Base-Base interactions energy: -281.726 where: short stacking energy: -273.401 Base-Backbone interact. energy: -2.682 local terms energy: -483.713801 where: bonds (distance) C4'-P energy: -125.767 bonds (distance) P-C4' energy: -127.347 flat angles C4'-P-C4' energy: -110.012 flat angles P-C4'-P energy: -81.642 tors. eta vs tors. theta energy: -38.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -689.179820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.179820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.179820 (E_RNA) where: Base-Base interactions energy: -240.759 where: short stacking energy: -227.719 Base-Backbone interact. energy: -0.398 local terms energy: -448.022425 where: bonds (distance) C4'-P energy: -121.491 bonds (distance) P-C4' energy: -130.545 flat angles C4'-P-C4' energy: -115.970 flat angles P-C4'-P energy: -56.565 tors. eta vs tors. theta energy: -23.450 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: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -608.855878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.855878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.855878 (E_RNA) where: Base-Base interactions energy: -214.481 where: short stacking energy: -203.412 Base-Backbone interact. energy: 2.100 local terms energy: -396.474647 where: bonds (distance) C4'-P energy: -109.928 bonds (distance) P-C4' energy: -126.095 flat angles C4'-P-C4' energy: -121.780 flat angles P-C4'-P energy: -40.205 tors. eta vs tors. theta energy: 1.534 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: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -562.961520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.961520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.961520 (E_RNA) where: Base-Base interactions energy: -204.425 where: short stacking energy: -185.617 Base-Backbone interact. energy: 3.924 local terms energy: -362.460560 where: bonds (distance) C4'-P energy: -108.465 bonds (distance) P-C4' energy: -102.702 flat angles C4'-P-C4' energy: -116.036 flat angles P-C4'-P energy: -54.143 tors. eta vs tors. theta energy: 18.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1239.472355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.472355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.472355 (E_RNA) where: Base-Base interactions energy: -541.792 where: short stacking energy: -502.238 Base-Backbone interact. energy: -0.987 local terms energy: -696.692902 where: bonds (distance) C4'-P energy: -155.709 bonds (distance) P-C4' energy: -169.438 flat angles C4'-P-C4' energy: -155.191 flat angles P-C4'-P energy: -105.320 tors. eta vs tors. theta energy: -111.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1140.048295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.048295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.048295 (E_RNA) where: Base-Base interactions energy: -507.394 where: short stacking energy: -492.561 Base-Backbone interact. energy: 2.055 local terms energy: -634.709255 where: bonds (distance) C4'-P energy: -135.859 bonds (distance) P-C4' energy: -148.127 flat angles C4'-P-C4' energy: -135.508 flat angles P-C4'-P energy: -107.281 tors. eta vs tors. theta energy: -107.934 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: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1068.113409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.113409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.113409 (E_RNA) where: Base-Base interactions energy: -435.452 where: short stacking energy: -405.667 Base-Backbone interact. energy: 0.906 local terms energy: -633.568156 where: bonds (distance) C4'-P energy: -137.410 bonds (distance) P-C4' energy: -154.205 flat angles C4'-P-C4' energy: -148.275 flat angles P-C4'-P energy: -103.034 tors. eta vs tors. theta energy: -90.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -966.161034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.161034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.161034 (E_RNA) where: Base-Base interactions energy: -421.923 where: short stacking energy: -379.971 Base-Backbone interact. energy: 0.401 local terms energy: -544.639679 where: bonds (distance) C4'-P energy: -141.558 bonds (distance) P-C4' energy: -147.852 flat angles C4'-P-C4' energy: -128.899 flat angles P-C4'-P energy: -64.354 tors. eta vs tors. theta energy: -61.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -886.987566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.987566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.987566 (E_RNA) where: Base-Base interactions energy: -347.538 where: short stacking energy: -325.377 Base-Backbone interact. energy: -0.179 local terms energy: -539.270628 where: bonds (distance) C4'-P energy: -136.297 bonds (distance) P-C4' energy: -145.485 flat angles C4'-P-C4' energy: -133.289 flat angles P-C4'-P energy: -76.012 tors. eta vs tors. theta energy: -48.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -791.899295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.899295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.899295 (E_RNA) where: Base-Base interactions energy: -293.148 where: short stacking energy: -256.962 Base-Backbone interact. energy: -2.449 local terms energy: -496.302293 where: bonds (distance) C4'-P energy: -129.756 bonds (distance) P-C4' energy: -133.934 flat angles C4'-P-C4' energy: -133.503 flat angles P-C4'-P energy: -84.544 tors. eta vs tors. theta energy: -14.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -752.969012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.969012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.969012 (E_RNA) where: Base-Base interactions energy: -312.043 where: short stacking energy: -284.646 Base-Backbone interact. energy: 1.267 local terms energy: -442.192573 where: bonds (distance) C4'-P energy: -117.439 bonds (distance) P-C4' energy: -120.074 flat angles C4'-P-C4' energy: -119.360 flat angles P-C4'-P energy: -63.533 tors. eta vs tors. theta energy: -21.787 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: 4 Temperature: 1.250000 Total energy: -682.966078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.966078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.966078 (E_RNA) where: Base-Base interactions energy: -232.900 where: short stacking energy: -213.434 Base-Backbone interact. energy: -1.621 local terms energy: -448.445787 where: bonds (distance) C4'-P energy: -136.594 bonds (distance) P-C4' energy: -115.007 flat angles C4'-P-C4' energy: -124.086 flat angles P-C4'-P energy: -68.209 tors. eta vs tors. theta energy: -4.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -643.689023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.689023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.689023 (E_RNA) where: Base-Base interactions energy: -206.404 where: short stacking energy: -182.708 Base-Backbone interact. energy: 3.696 local terms energy: -440.981268 where: bonds (distance) C4'-P energy: -128.847 bonds (distance) P-C4' energy: -128.606 flat angles C4'-P-C4' energy: -121.780 flat angles P-C4'-P energy: -81.326 tors. eta vs tors. theta energy: 19.577 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: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -551.274652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.274652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.274652 (E_RNA) where: Base-Base interactions energy: -186.468 where: short stacking energy: -168.064 Base-Backbone interact. energy: 0.132 local terms energy: -364.938621 where: bonds (distance) C4'-P energy: -116.604 bonds (distance) P-C4' energy: -122.904 flat angles C4'-P-C4' energy: -92.468 flat angles P-C4'-P energy: -51.115 tors. eta vs tors. theta energy: 18.151 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: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1300.441207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.441207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.441207 (E_RNA) where: Base-Base interactions energy: -610.695 where: short stacking energy: -552.790 Base-Backbone interact. energy: -1.344 local terms energy: -688.402240 where: bonds (distance) C4'-P energy: -140.726 bonds (distance) P-C4' energy: -159.174 flat angles C4'-P-C4' energy: -150.866 flat angles P-C4'-P energy: -104.212 tors. eta vs tors. theta energy: -133.425 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: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1181.745036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.745036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.745036 (E_RNA) where: Base-Base interactions energy: -519.211 where: short stacking energy: -484.239 Base-Backbone interact. energy: 0.023 local terms energy: -662.556845 where: bonds (distance) C4'-P energy: -165.883 bonds (distance) P-C4' energy: -145.227 flat angles C4'-P-C4' energy: -148.685 flat angles P-C4'-P energy: -96.834 tors. eta vs tors. theta energy: -105.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1077.590904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.590904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.590904 (E_RNA) where: Base-Base interactions energy: -450.300 where: short stacking energy: -438.357 Base-Backbone interact. energy: 0.987 local terms energy: -628.278140 where: bonds (distance) C4'-P energy: -142.236 bonds (distance) P-C4' energy: -154.216 flat angles C4'-P-C4' energy: -138.725 flat angles P-C4'-P energy: -94.854 tors. eta vs tors. theta energy: -98.248 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: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1015.593778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.593778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.593778 (E_RNA) where: Base-Base interactions energy: -428.197 where: short stacking energy: -378.546 Base-Backbone interact. energy: 1.195 local terms energy: -588.592033 where: bonds (distance) C4'-P energy: -139.202 bonds (distance) P-C4' energy: -147.806 flat angles C4'-P-C4' energy: -138.039 flat angles P-C4'-P energy: -90.386 tors. eta vs tors. theta energy: -73.160 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: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -988.316149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.316149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.316149 (E_RNA) where: Base-Base interactions energy: -433.799 where: short stacking energy: -391.442 Base-Backbone interact. energy: -1.010 local terms energy: -553.506938 where: bonds (distance) C4'-P energy: -138.157 bonds (distance) P-C4' energy: -131.677 flat angles C4'-P-C4' energy: -124.482 flat angles P-C4'-P energy: -90.416 tors. eta vs tors. theta energy: -68.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -886.354249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.354249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.354249 (E_RNA) where: Base-Base interactions energy: -407.123 where: short stacking energy: -280.508 Base-Backbone interact. energy: 2.511 local terms energy: -481.742186 where: bonds (distance) C4'-P energy: -123.642 bonds (distance) P-C4' energy: -136.051 flat angles C4'-P-C4' energy: -124.193 flat angles P-C4'-P energy: -55.596 tors. eta vs tors. theta energy: -42.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -879.268353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.268353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.268353 (E_RNA) where: Base-Base interactions energy: -394.393 where: short stacking energy: -299.834 Base-Backbone interact. energy: 1.862 local terms energy: -486.737376 where: bonds (distance) C4'-P energy: -112.193 bonds (distance) P-C4' energy: -135.178 flat angles C4'-P-C4' energy: -126.883 flat angles P-C4'-P energy: -60.607 tors. eta vs tors. theta energy: -51.877 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: 9 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -757.148098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.148098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.148098 (E_RNA) where: Base-Base interactions energy: -301.640 where: short stacking energy: -206.470 Base-Backbone interact. energy: 1.837 local terms energy: -457.344944 where: bonds (distance) C4'-P energy: -124.674 bonds (distance) P-C4' energy: -139.935 flat angles C4'-P-C4' energy: -128.212 flat angles P-C4'-P energy: -64.433 tors. eta vs tors. theta energy: -0.091 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: 9, replica: 8 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -684.424916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.424916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.424916 (E_RNA) where: Base-Base interactions energy: -255.202 where: short stacking energy: -211.745 Base-Backbone interact. energy: 3.791 local terms energy: -433.014556 where: bonds (distance) C4'-P energy: -111.237 bonds (distance) P-C4' energy: -141.959 flat angles C4'-P-C4' energy: -106.310 flat angles P-C4'-P energy: -65.650 tors. eta vs tors. theta energy: -7.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -623.902857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.902857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.902857 (E_RNA) where: Base-Base interactions energy: -260.382 where: short stacking energy: -195.240 Base-Backbone interact. energy: -2.202 local terms energy: -361.318857 where: bonds (distance) C4'-P energy: -118.802 bonds (distance) P-C4' energy: -116.615 flat angles C4'-P-C4' energy: -94.789 flat angles P-C4'-P energy: -60.680 tors. eta vs tors. theta energy: 29.566 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: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1332.891067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.891067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.891067 (E_RNA) where: Base-Base interactions energy: -612.119 where: short stacking energy: -557.386 Base-Backbone interact. energy: -1.017 local terms energy: -719.755642 where: bonds (distance) C4'-P energy: -152.225 bonds (distance) P-C4' energy: -150.313 flat angles C4'-P-C4' energy: -167.532 flat angles P-C4'-P energy: -106.146 tors. eta vs tors. theta energy: -143.540 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: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1208.187705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.187705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.187705 (E_RNA) where: Base-Base interactions energy: -555.498 where: short stacking energy: -506.940 Base-Backbone interact. energy: 1.509 local terms energy: -654.198698 where: bonds (distance) C4'-P energy: -136.444 bonds (distance) P-C4' energy: -151.858 flat angles C4'-P-C4' energy: -151.206 flat angles P-C4'-P energy: -92.257 tors. eta vs tors. theta energy: -122.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1066.928516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.928516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.928516 (E_RNA) where: Base-Base interactions energy: -467.671 where: short stacking energy: -409.140 Base-Backbone interact. energy: -2.432 local terms energy: -596.824813 where: bonds (distance) C4'-P energy: -138.179 bonds (distance) P-C4' energy: -150.600 flat angles C4'-P-C4' energy: -145.076 flat angles P-C4'-P energy: -91.038 tors. eta vs tors. theta energy: -71.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1052.254616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.254616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.254616 (E_RNA) where: Base-Base interactions energy: -482.943 where: short stacking energy: -362.694 Base-Backbone interact. energy: 0.516 local terms energy: -569.826762 where: bonds (distance) C4'-P energy: -141.850 bonds (distance) P-C4' energy: -150.808 flat angles C4'-P-C4' energy: -131.729 flat angles P-C4'-P energy: -80.342 tors. eta vs tors. theta energy: -65.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -958.047800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.047800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.047800 (E_RNA) where: Base-Base interactions energy: -444.575 where: short stacking energy: -328.306 Base-Backbone interact. energy: 0.406 local terms energy: -513.878491 where: bonds (distance) C4'-P energy: -136.988 bonds (distance) P-C4' energy: -124.846 flat angles C4'-P-C4' energy: -127.212 flat angles P-C4'-P energy: -93.077 tors. eta vs tors. theta energy: -31.755 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: 6, replica: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -966.512553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.512553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.512553 (E_RNA) where: Base-Base interactions energy: -475.318 where: short stacking energy: -306.643 Base-Backbone interact. energy: -2.042 local terms energy: -489.152190 where: bonds (distance) C4'-P energy: -114.489 bonds (distance) P-C4' energy: -154.514 flat angles C4'-P-C4' energy: -120.272 flat angles P-C4'-P energy: -71.724 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: 7, replica: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -846.813281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.813281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.813281 (E_RNA) where: Base-Base interactions energy: -374.009 where: short stacking energy: -263.285 Base-Backbone interact. energy: 1.451 local terms energy: -474.255539 where: bonds (distance) C4'-P energy: -124.185 bonds (distance) P-C4' energy: -131.928 flat angles C4'-P-C4' energy: -115.389 flat angles P-C4'-P energy: -78.194 tors. eta vs tors. theta energy: -24.559 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: 9 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -751.627896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.627896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.627896 (E_RNA) where: Base-Base interactions energy: -301.258 where: short stacking energy: -212.795 Base-Backbone interact. energy: -2.005 local terms energy: -448.364437 where: bonds (distance) C4'-P energy: -123.097 bonds (distance) P-C4' energy: -132.343 flat angles C4'-P-C4' energy: -127.560 flat angles P-C4'-P energy: -75.595 tors. eta vs tors. theta energy: 10.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -624.717436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.717436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.717436 (E_RNA) where: Base-Base interactions energy: -214.062 where: short stacking energy: -169.871 Base-Backbone interact. energy: -1.711 local terms energy: -408.944763 where: bonds (distance) C4'-P energy: -143.206 bonds (distance) P-C4' energy: -139.618 flat angles C4'-P-C4' energy: -104.889 flat angles P-C4'-P energy: -54.520 tors. eta vs tors. theta energy: 33.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -582.327464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.327464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.327464 (E_RNA) where: Base-Base interactions energy: -201.845 where: short stacking energy: -186.364 Base-Backbone interact. energy: 4.077 local terms energy: -384.560259 where: bonds (distance) C4'-P energy: -124.652 bonds (distance) P-C4' energy: -126.246 flat angles C4'-P-C4' energy: -90.534 flat angles P-C4'-P energy: -63.938 tors. eta vs tors. theta energy: 20.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1329.442326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.442326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.442326 (E_RNA) where: Base-Base interactions energy: -635.711 where: short stacking energy: -555.686 Base-Backbone interact. energy: -0.027 local terms energy: -693.704285 where: bonds (distance) C4'-P energy: -161.165 bonds (distance) P-C4' energy: -134.662 flat angles C4'-P-C4' energy: -144.677 flat angles P-C4'-P energy: -98.789 tors. eta vs tors. theta energy: -154.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1291.387173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.387173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.387173 (E_RNA) where: Base-Base interactions energy: -644.339 where: short stacking energy: -468.579 Base-Backbone interact. energy: -2.311 local terms energy: -644.737313 where: bonds (distance) C4'-P energy: -140.139 bonds (distance) P-C4' energy: -154.783 flat angles C4'-P-C4' energy: -155.828 flat angles P-C4'-P energy: -83.628 tors. eta vs tors. theta energy: -110.360 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: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1127.838746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.838746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.838746 (E_RNA) where: Base-Base interactions energy: -542.993 where: short stacking energy: -431.949 Base-Backbone interact. energy: -0.100 local terms energy: -584.745206 where: bonds (distance) C4'-P energy: -126.174 bonds (distance) P-C4' energy: -156.969 flat angles C4'-P-C4' energy: -119.560 flat angles P-C4'-P energy: -92.627 tors. eta vs tors. theta energy: -89.414 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: 7 Temperature: 1.050000 Total energy: -1060.233139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.233139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.233139 (E_RNA) where: Base-Base interactions energy: -512.127 where: short stacking energy: -379.600 Base-Backbone interact. energy: -1.293 local terms energy: -546.812352 where: bonds (distance) C4'-P energy: -137.039 bonds (distance) P-C4' energy: -138.843 flat angles C4'-P-C4' energy: -132.601 flat angles P-C4'-P energy: -87.265 tors. eta vs tors. theta energy: -51.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -1001.354704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.354704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.354704 (E_RNA) where: Base-Base interactions energy: -483.586 where: short stacking energy: -326.387 Base-Backbone interact. energy: -4.638 local terms energy: -513.130578 where: bonds (distance) C4'-P energy: -148.046 bonds (distance) P-C4' energy: -140.289 flat angles C4'-P-C4' energy: -121.600 flat angles P-C4'-P energy: -74.199 tors. eta vs tors. theta energy: -28.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -994.916345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.916345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.916345 (E_RNA) where: Base-Base interactions energy: -498.007 where: short stacking energy: -329.083 Base-Backbone interact. energy: 3.196 local terms energy: -500.105398 where: bonds (distance) C4'-P energy: -144.006 bonds (distance) P-C4' energy: -117.908 flat angles C4'-P-C4' energy: -130.043 flat angles P-C4'-P energy: -77.025 tors. eta vs tors. theta energy: -31.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -859.731635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.731635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.731635 (E_RNA) where: Base-Base interactions energy: -412.352 where: short stacking energy: -284.234 Base-Backbone interact. energy: -0.657 local terms energy: -446.723026 where: bonds (distance) C4'-P energy: -106.526 bonds (distance) P-C4' energy: -127.697 flat angles C4'-P-C4' energy: -123.817 flat angles P-C4'-P energy: -65.150 tors. eta vs tors. theta energy: -23.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -741.867307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.867307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.867307 (E_RNA) where: Base-Base interactions energy: -324.193 where: short stacking energy: -265.450 Base-Backbone interact. energy: 9.699 local terms energy: -427.373434 where: bonds (distance) C4'-P energy: -128.426 bonds (distance) P-C4' energy: -116.738 flat angles C4'-P-C4' energy: -112.982 flat angles P-C4'-P energy: -57.622 tors. eta vs tors. theta energy: -11.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -725.625544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.625544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.625544 (E_RNA) where: Base-Base interactions energy: -341.149 where: short stacking energy: -216.699 Base-Backbone interact. energy: 5.015 local terms energy: -389.491865 where: bonds (distance) C4'-P energy: -109.341 bonds (distance) P-C4' energy: -123.296 flat angles C4'-P-C4' energy: -106.323 flat angles P-C4'-P energy: -61.225 tors. eta vs tors. theta energy: 10.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -615.071486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.071486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.071486 (E_RNA) where: Base-Base interactions energy: -274.694 where: short stacking energy: -192.685 Base-Backbone interact. energy: 7.925 local terms energy: -348.302499 where: bonds (distance) C4'-P energy: -112.199 bonds (distance) P-C4' energy: -106.031 flat angles C4'-P-C4' energy: -93.791 flat angles P-C4'-P energy: -49.610 tors. eta vs tors. theta energy: 13.328 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: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1356.468327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.468327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.468327 (E_RNA) where: Base-Base interactions energy: -627.962 where: short stacking energy: -546.294 Base-Backbone interact. energy: -0.715 local terms energy: -727.791861 where: bonds (distance) C4'-P energy: -147.143 bonds (distance) P-C4' energy: -166.733 flat angles C4'-P-C4' energy: -165.067 flat angles P-C4'-P energy: -104.042 tors. eta vs tors. theta energy: -144.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1345.062833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.062833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.062833 (E_RNA) where: Base-Base interactions energy: -707.486 where: short stacking energy: -509.046 Base-Backbone interact. energy: -3.142 local terms energy: -634.434837 where: bonds (distance) C4'-P energy: -144.548 bonds (distance) P-C4' energy: -139.997 flat angles C4'-P-C4' energy: -143.670 flat angles P-C4'-P energy: -85.221 tors. eta vs tors. theta energy: -120.998 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: 8 Temperature: 1.000000 Total energy: -1202.493720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.493720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.493720 (E_RNA) where: Base-Base interactions energy: -596.491 where: short stacking energy: -455.570 Base-Backbone interact. energy: -1.521 local terms energy: -604.482097 where: bonds (distance) C4'-P energy: -131.226 bonds (distance) P-C4' energy: -145.796 flat angles C4'-P-C4' energy: -147.296 flat angles P-C4'-P energy: -82.287 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: 4, replica: 5 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1063.088127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.088127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.088127 (E_RNA) where: Base-Base interactions energy: -474.533 where: short stacking energy: -409.619 Base-Backbone interact. energy: -2.232 local terms energy: -586.322363 where: bonds (distance) C4'-P energy: -132.583 bonds (distance) P-C4' energy: -144.163 flat angles C4'-P-C4' energy: -152.545 flat angles P-C4'-P energy: -79.502 tors. eta vs tors. theta energy: -77.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1098.844084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.844084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.844084 (E_RNA) where: Base-Base interactions energy: -568.197 where: short stacking energy: -356.542 Base-Backbone interact. energy: 3.338 local terms energy: -533.985106 where: bonds (distance) C4'-P energy: -133.245 bonds (distance) P-C4' energy: -127.868 flat angles C4'-P-C4' energy: -146.164 flat angles P-C4'-P energy: -67.020 tors. eta vs tors. theta energy: -59.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -970.960598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.960598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.960598 (E_RNA) where: Base-Base interactions energy: -463.902 where: short stacking energy: -307.666 Base-Backbone interact. energy: -1.512 local terms energy: -505.546261 where: bonds (distance) C4'-P energy: -123.309 bonds (distance) P-C4' energy: -143.146 flat angles C4'-P-C4' energy: -123.041 flat angles P-C4'-P energy: -72.295 tors. eta vs tors. theta energy: -43.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -837.099776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.099776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.099776 (E_RNA) where: Base-Base interactions energy: -375.859 where: short stacking energy: -282.847 Base-Backbone interact. energy: -0.057 local terms energy: -461.183914 where: bonds (distance) C4'-P energy: -124.344 bonds (distance) P-C4' energy: -108.757 flat angles C4'-P-C4' energy: -126.832 flat angles P-C4'-P energy: -75.886 tors. eta vs tors. theta energy: -25.365 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: 8 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -763.031953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.031953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.031953 (E_RNA) where: Base-Base interactions energy: -332.078 where: short stacking energy: -247.229 Base-Backbone interact. energy: -0.202 local terms energy: -430.752071 where: bonds (distance) C4'-P energy: -116.455 bonds (distance) P-C4' energy: -129.317 flat angles C4'-P-C4' energy: -107.458 flat angles P-C4'-P energy: -60.332 tors. eta vs tors. theta energy: -17.190 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: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -697.668356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.668356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.668356 (E_RNA) where: Base-Base interactions energy: -296.845 where: short stacking energy: -220.068 Base-Backbone interact. energy: 6.098 local terms energy: -406.921956 where: bonds (distance) C4'-P energy: -113.857 bonds (distance) P-C4' energy: -129.437 flat angles C4'-P-C4' energy: -82.633 flat angles P-C4'-P energy: -75.688 tors. eta vs tors. theta energy: -5.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -756.828389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.828389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.828389 (E_RNA) where: Base-Base interactions energy: -342.814 where: short stacking energy: -213.684 Base-Backbone interact. energy: -1.518 local terms energy: -412.496427 where: bonds (distance) C4'-P energy: -129.037 bonds (distance) P-C4' energy: -135.414 flat angles C4'-P-C4' energy: -104.470 flat angles P-C4'-P energy: -41.982 tors. eta vs tors. theta energy: -1.593 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: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1398.165512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.165512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.165512 (E_RNA) where: Base-Base interactions energy: -702.987 where: short stacking energy: -544.997 Base-Backbone interact. energy: -0.750 local terms energy: -694.428833 where: bonds (distance) C4'-P energy: -161.581 bonds (distance) P-C4' energy: -150.534 flat angles C4'-P-C4' energy: -151.689 flat angles P-C4'-P energy: -97.919 tors. eta vs tors. theta energy: -132.706 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: 2 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1351.533459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.533459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.533459 (E_RNA) where: Base-Base interactions energy: -705.141 where: short stacking energy: -478.921 Base-Backbone interact. energy: -0.319 local terms energy: -646.073772 where: bonds (distance) C4'-P energy: -149.686 bonds (distance) P-C4' energy: -150.298 flat angles C4'-P-C4' energy: -142.263 flat angles P-C4'-P energy: -102.689 tors. eta vs tors. theta energy: -101.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1193.291444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.291444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.291444 (E_RNA) where: Base-Base interactions energy: -607.199 where: short stacking energy: -463.062 Base-Backbone interact. energy: -0.307 local terms energy: -585.785254 where: bonds (distance) C4'-P energy: -152.453 bonds (distance) P-C4' energy: -131.890 flat angles C4'-P-C4' energy: -133.491 flat angles P-C4'-P energy: -77.371 tors. eta vs tors. theta energy: -90.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1311.208763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.208763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.208763 (E_RNA) where: Base-Base interactions energy: -749.735 where: short stacking energy: -428.100 Base-Backbone interact. energy: 3.758 local terms energy: -565.231697 where: bonds (distance) C4'-P energy: -125.379 bonds (distance) P-C4' energy: -134.193 flat angles C4'-P-C4' energy: -132.731 flat angles P-C4'-P energy: -82.052 tors. eta vs tors. theta energy: -90.876 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: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -954.948271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.948271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.948271 (E_RNA) where: Base-Base interactions energy: -413.424 where: short stacking energy: -343.390 Base-Backbone interact. energy: 1.073 local terms energy: -542.596814 where: bonds (distance) C4'-P energy: -122.754 bonds (distance) P-C4' energy: -127.589 flat angles C4'-P-C4' energy: -125.122 flat angles P-C4'-P energy: -100.084 tors. eta vs tors. theta energy: -67.048 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: 9 Temperature: 1.150000 Total energy: -969.018094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.018094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.018094 (E_RNA) where: Base-Base interactions energy: -442.388 where: short stacking energy: -311.134 Base-Backbone interact. energy: -1.055 local terms energy: -525.575047 where: bonds (distance) C4'-P energy: -151.667 bonds (distance) P-C4' energy: -131.882 flat angles C4'-P-C4' energy: -122.668 flat angles P-C4'-P energy: -85.711 tors. eta vs tors. theta energy: -33.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -876.767935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.767935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.767935 (E_RNA) where: Base-Base interactions energy: -402.891 where: short stacking energy: -258.982 Base-Backbone interact. energy: -1.883 local terms energy: -471.994340 where: bonds (distance) C4'-P energy: -124.387 bonds (distance) P-C4' energy: -145.297 flat angles C4'-P-C4' energy: -112.864 flat angles P-C4'-P energy: -83.364 tors. eta vs tors. theta energy: -6.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -807.686380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.686380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.686380 (E_RNA) where: Base-Base interactions energy: -351.026 where: short stacking energy: -254.898 Base-Backbone interact. energy: 0.574 local terms energy: -457.234387 where: bonds (distance) C4'-P energy: -114.163 bonds (distance) P-C4' energy: -141.764 flat angles C4'-P-C4' energy: -116.930 flat angles P-C4'-P energy: -56.113 tors. eta vs tors. theta energy: -28.264 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: 9, replica: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -729.947781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.947781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.947781 (E_RNA) where: Base-Base interactions energy: -328.025 where: short stacking energy: -204.580 Base-Backbone interact. energy: -1.417 local terms energy: -400.506460 where: bonds (distance) C4'-P energy: -118.187 bonds (distance) P-C4' energy: -129.870 flat angles C4'-P-C4' energy: -85.670 flat angles P-C4'-P energy: -72.951 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: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -692.530647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.530647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.530647 (E_RNA) where: Base-Base interactions energy: -321.683 where: short stacking energy: -218.161 Base-Backbone interact. energy: -3.559 local terms energy: -367.287697 where: bonds (distance) C4'-P energy: -91.450 bonds (distance) P-C4' energy: -121.350 flat angles C4'-P-C4' energy: -97.385 flat angles P-C4'-P energy: -67.291 tors. eta vs tors. theta energy: 10.188 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: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1417.470648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.470648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.470648 (E_RNA) where: Base-Base interactions energy: -716.629 where: short stacking energy: -548.765 Base-Backbone interact. energy: 1.100 local terms energy: -701.941467 where: bonds (distance) C4'-P energy: -142.063 bonds (distance) P-C4' energy: -154.899 flat angles C4'-P-C4' energy: -164.267 flat angles P-C4'-P energy: -104.909 tors. eta vs tors. theta energy: -135.804 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: 2 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1423.878848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.878848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.878848 (E_RNA) where: Base-Base interactions energy: -736.728 where: short stacking energy: -525.461 Base-Backbone interact. energy: -1.906 local terms energy: -685.245040 where: bonds (distance) C4'-P energy: -158.852 bonds (distance) P-C4' energy: -146.527 flat angles C4'-P-C4' energy: -147.007 flat angles P-C4'-P energy: -100.558 tors. eta vs tors. theta energy: -132.301 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: 6 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1501.473795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.473795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.473795 (E_RNA) where: Base-Base interactions energy: -879.954 where: short stacking energy: -487.956 Base-Backbone interact. energy: 0.290 local terms energy: -621.810029 where: bonds (distance) C4'-P energy: -144.103 bonds (distance) P-C4' energy: -142.021 flat angles C4'-P-C4' energy: -145.174 flat angles P-C4'-P energy: -88.970 tors. eta vs tors. theta energy: -101.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1190.890462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.890462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.890462 (E_RNA) where: Base-Base interactions energy: -608.477 where: short stacking energy: -395.533 Base-Backbone interact. energy: 1.431 local terms energy: -583.844703 where: bonds (distance) C4'-P energy: -130.380 bonds (distance) P-C4' energy: -144.165 flat angles C4'-P-C4' energy: -131.727 flat angles P-C4'-P energy: -105.816 tors. eta vs tors. theta energy: -71.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1002.877665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.877665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.877665 (E_RNA) where: Base-Base interactions energy: -490.919 where: short stacking energy: -355.752 Base-Backbone interact. energy: 0.339 local terms energy: -512.297907 where: bonds (distance) C4'-P energy: -112.661 bonds (distance) P-C4' energy: -128.681 flat angles C4'-P-C4' energy: -119.802 flat angles P-C4'-P energy: -95.152 tors. eta vs tors. theta energy: -56.002 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: 7 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1003.265491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.265491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.265491 (E_RNA) where: Base-Base interactions energy: -502.492 where: short stacking energy: -329.527 Base-Backbone interact. energy: 3.142 local terms energy: -503.915949 where: bonds (distance) C4'-P energy: -112.021 bonds (distance) P-C4' energy: -139.965 flat angles C4'-P-C4' energy: -124.767 flat angles P-C4'-P energy: -79.745 tors. eta vs tors. theta energy: -47.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -884.365160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.365160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.365160 (E_RNA) where: Base-Base interactions energy: -415.232 where: short stacking energy: -277.458 Base-Backbone interact. energy: -2.969 local terms energy: -466.163662 where: bonds (distance) C4'-P energy: -104.462 bonds (distance) P-C4' energy: -142.366 flat angles C4'-P-C4' energy: -111.827 flat angles P-C4'-P energy: -86.061 tors. eta vs tors. theta energy: -21.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -811.226222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.226222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.226222 (E_RNA) where: Base-Base interactions energy: -361.960 where: short stacking energy: -258.368 Base-Backbone interact. energy: 0.775 local terms energy: -450.041127 where: bonds (distance) C4'-P energy: -133.116 bonds (distance) P-C4' energy: -117.153 flat angles C4'-P-C4' energy: -112.956 flat angles P-C4'-P energy: -70.211 tors. eta vs tors. theta energy: -16.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -802.071604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.071604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.071604 (E_RNA) where: Base-Base interactions energy: -382.197 where: short stacking energy: -275.422 Base-Backbone interact. energy: 4.130 local terms energy: -424.005420 where: bonds (distance) C4'-P energy: -102.219 bonds (distance) P-C4' energy: -136.310 flat angles C4'-P-C4' energy: -105.958 flat angles P-C4'-P energy: -61.055 tors. eta vs tors. theta energy: -18.462 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: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -714.585944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.585944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.585944 (E_RNA) where: Base-Base interactions energy: -310.866 where: short stacking energy: -182.962 Base-Backbone interact. energy: -1.690 local terms energy: -402.030485 where: bonds (distance) C4'-P energy: -121.006 bonds (distance) P-C4' energy: -94.558 flat angles C4'-P-C4' energy: -129.430 flat angles P-C4'-P energy: -66.324 tors. eta vs tors. theta energy: 9.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1508.417294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.417294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.417294 (E_RNA) where: Base-Base interactions energy: -832.679 where: short stacking energy: -554.937 Base-Backbone interact. energy: -2.178 local terms energy: -673.560094 where: bonds (distance) C4'-P energy: -136.332 bonds (distance) P-C4' energy: -150.067 flat angles C4'-P-C4' energy: -147.316 flat angles P-C4'-P energy: -105.982 tors. eta vs tors. theta energy: -133.862 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: 6 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1597.015748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.015748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.015748 (E_RNA) where: Base-Base interactions energy: -890.508 where: short stacking energy: -558.718 Base-Backbone interact. energy: -3.761 local terms energy: -702.747318 where: bonds (distance) C4'-P energy: -140.306 bonds (distance) P-C4' energy: -162.213 flat angles C4'-P-C4' energy: -157.254 flat angles P-C4'-P energy: -109.554 tors. eta vs tors. theta energy: -133.420 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: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1315.259974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.259974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.259974 (E_RNA) where: Base-Base interactions energy: -691.515 where: short stacking energy: -443.467 Base-Backbone interact. energy: 4.035 local terms energy: -627.780563 where: bonds (distance) C4'-P energy: -148.579 bonds (distance) P-C4' energy: -149.011 flat angles C4'-P-C4' energy: -149.282 flat angles P-C4'-P energy: -82.094 tors. eta vs tors. theta energy: -98.814 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: 11 Temperature: 1.050000 Total energy: -1206.323246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.323246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.323246 (E_RNA) where: Base-Base interactions energy: -644.757 where: short stacking energy: -385.751 Base-Backbone interact. energy: 1.596 local terms energy: -563.161782 where: bonds (distance) C4'-P energy: -140.406 bonds (distance) P-C4' energy: -147.570 flat angles C4'-P-C4' energy: -121.131 flat angles P-C4'-P energy: -88.344 tors. eta vs tors. theta energy: -65.711 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: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1069.717052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.717052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.717052 (E_RNA) where: Base-Base interactions energy: -531.997 where: short stacking energy: -386.097 Base-Backbone interact. energy: -0.717 local terms energy: -537.003217 where: bonds (distance) C4'-P energy: -125.853 bonds (distance) P-C4' energy: -153.776 flat angles C4'-P-C4' energy: -127.450 flat angles P-C4'-P energy: -72.530 tors. eta vs tors. theta energy: -57.395 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: 7 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1107.461133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.461133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.461133 (E_RNA) where: Base-Base interactions energy: -603.268 where: short stacking energy: -336.287 Base-Backbone interact. energy: 0.924 local terms energy: -505.117417 where: bonds (distance) C4'-P energy: -123.616 bonds (distance) P-C4' energy: -130.737 flat angles C4'-P-C4' energy: -129.399 flat angles P-C4'-P energy: -79.643 tors. eta vs tors. theta energy: -41.723 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: 4 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -895.700240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.700240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.700240 (E_RNA) where: Base-Base interactions energy: -435.666 where: short stacking energy: -286.869 Base-Backbone interact. energy: 3.414 local terms energy: -463.448246 where: bonds (distance) C4'-P energy: -110.140 bonds (distance) P-C4' energy: -127.529 flat angles C4'-P-C4' energy: -111.210 flat angles P-C4'-P energy: -74.034 tors. eta vs tors. theta energy: -40.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -855.511857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.511857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.511857 (E_RNA) where: Base-Base interactions energy: -411.292 where: short stacking energy: -257.413 Base-Backbone interact. energy: 1.000 local terms energy: -445.219850 where: bonds (distance) C4'-P energy: -146.706 bonds (distance) P-C4' energy: -141.693 flat angles C4'-P-C4' energy: -106.414 flat angles P-C4'-P energy: -53.596 tors. eta vs tors. theta energy: 3.188 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: 8 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -655.467509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.467509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.467509 (E_RNA) where: Base-Base interactions energy: -244.375 where: short stacking energy: -196.329 Base-Backbone interact. energy: -2.876 local terms energy: -408.216435 where: bonds (distance) C4'-P energy: -126.900 bonds (distance) P-C4' energy: -120.025 flat angles C4'-P-C4' energy: -108.891 flat angles P-C4'-P energy: -60.806 tors. eta vs tors. theta energy: 8.405 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: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -655.106821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.106821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.106821 (E_RNA) where: Base-Base interactions energy: -258.943 where: short stacking energy: -176.874 Base-Backbone interact. energy: 1.602 local terms energy: -397.765071 where: bonds (distance) C4'-P energy: -108.935 bonds (distance) P-C4' energy: -120.764 flat angles C4'-P-C4' energy: -113.515 flat angles P-C4'-P energy: -76.057 tors. eta vs tors. theta energy: 21.506 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: 1, replica: 6 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1755.190557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.190557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.190557 (E_RNA) where: Base-Base interactions energy: -1067.559 where: short stacking energy: -594.405 Base-Backbone interact. energy: -1.792 local terms energy: -685.839485 where: bonds (distance) C4'-P energy: -140.838 bonds (distance) P-C4' energy: -151.066 flat angles C4'-P-C4' energy: -148.208 flat angles P-C4'-P energy: -94.298 tors. eta vs tors. theta energy: -151.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1490.770042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.770042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.770042 (E_RNA) where: Base-Base interactions energy: -806.229 where: short stacking energy: -535.075 Base-Backbone interact. energy: -1.163 local terms energy: -683.378055 where: bonds (distance) C4'-P energy: -140.343 bonds (distance) P-C4' energy: -150.511 flat angles C4'-P-C4' energy: -139.945 flat angles P-C4'-P energy: -112.560 tors. eta vs tors. theta energy: -140.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1345.770517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.770517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.770517 (E_RNA) where: Base-Base interactions energy: -706.233 where: short stacking energy: -497.449 Base-Backbone interact. energy: -2.328 local terms energy: -637.209920 where: bonds (distance) C4'-P energy: -133.631 bonds (distance) P-C4' energy: -145.328 flat angles C4'-P-C4' energy: -145.792 flat angles P-C4'-P energy: -95.061 tors. eta vs tors. theta energy: -117.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1211.388340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.388340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.388340 (E_RNA) where: Base-Base interactions energy: -646.888 where: short stacking energy: -398.894 Base-Backbone interact. energy: 0.919 local terms energy: -565.419525 where: bonds (distance) C4'-P energy: -140.565 bonds (distance) P-C4' energy: -124.117 flat angles C4'-P-C4' energy: -137.609 flat angles P-C4'-P energy: -86.918 tors. eta vs tors. theta energy: -76.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1298.188383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.188383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.188383 (E_RNA) where: Base-Base interactions energy: -754.421 where: short stacking energy: -419.228 Base-Backbone interact. energy: -2.617 local terms energy: -541.149951 where: bonds (distance) C4'-P energy: -124.493 bonds (distance) P-C4' energy: -122.714 flat angles C4'-P-C4' energy: -126.895 flat angles P-C4'-P energy: -83.415 tors. eta vs tors. theta energy: -83.633 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: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -929.992960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.992960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.992960 (E_RNA) where: Base-Base interactions energy: -418.869 where: short stacking energy: -306.277 Base-Backbone interact. energy: 4.639 local terms energy: -515.762946 where: bonds (distance) C4'-P energy: -109.443 bonds (distance) P-C4' energy: -142.846 flat angles C4'-P-C4' energy: -126.828 flat angles P-C4'-P energy: -94.252 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: 7, replica: 9 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1005.445708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.445708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.445708 (E_RNA) where: Base-Base interactions energy: -503.518 where: short stacking energy: -299.032 Base-Backbone interact. energy: -3.209 local terms energy: -498.719251 where: bonds (distance) C4'-P energy: -144.998 bonds (distance) P-C4' energy: -125.456 flat angles C4'-P-C4' energy: -111.103 flat angles P-C4'-P energy: -93.412 tors. eta vs tors. theta energy: -23.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -812.588409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.588409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.588409 (E_RNA) where: Base-Base interactions energy: -353.947 where: short stacking energy: -226.750 Base-Backbone interact. energy: 7.552 local terms energy: -466.193173 where: bonds (distance) C4'-P energy: -130.804 bonds (distance) P-C4' energy: -128.688 flat angles C4'-P-C4' energy: -122.606 flat angles P-C4'-P energy: -66.087 tors. eta vs tors. theta energy: -18.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -669.399532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.399532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.399532 (E_RNA) where: Base-Base interactions energy: -251.972 where: short stacking energy: -190.583 Base-Backbone interact. energy: 7.099 local terms energy: -424.525814 where: bonds (distance) C4'-P energy: -102.663 bonds (distance) P-C4' energy: -116.842 flat angles C4'-P-C4' energy: -124.292 flat angles P-C4'-P energy: -82.351 tors. eta vs tors. theta energy: 1.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -674.738772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.738772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.738772 (E_RNA) where: Base-Base interactions energy: -284.738 where: short stacking energy: -184.970 Base-Backbone interact. energy: -3.925 local terms energy: -386.076095 where: bonds (distance) C4'-P energy: -116.157 bonds (distance) P-C4' energy: -128.736 flat angles C4'-P-C4' energy: -109.710 flat angles P-C4'-P energy: -45.796 tors. eta vs tors. theta energy: 14.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1783.900681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.900681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.900681 (E_RNA) where: Base-Base interactions energy: -1064.688 where: short stacking energy: -568.315 Base-Backbone interact. energy: 0.325 local terms energy: -719.536946 where: bonds (distance) C4'-P energy: -149.937 bonds (distance) P-C4' energy: -160.105 flat angles C4'-P-C4' energy: -160.058 flat angles P-C4'-P energy: -103.911 tors. eta vs tors. theta energy: -145.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1469.804109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.804109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.804109 (E_RNA) where: Base-Base interactions energy: -820.546 where: short stacking energy: -523.941 Base-Backbone interact. energy: -0.963 local terms energy: -648.294637 where: bonds (distance) C4'-P energy: -141.573 bonds (distance) P-C4' energy: -148.977 flat angles C4'-P-C4' energy: -152.594 flat angles P-C4'-P energy: -94.384 tors. eta vs tors. theta energy: -110.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1348.728871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.728871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.728871 (E_RNA) where: Base-Base interactions energy: -714.673 where: short stacking energy: -490.851 Base-Backbone interact. energy: 1.377 local terms energy: -635.432799 where: bonds (distance) C4'-P energy: -134.314 bonds (distance) P-C4' energy: -137.472 flat angles C4'-P-C4' energy: -142.020 flat angles P-C4'-P energy: -97.188 tors. eta vs tors. theta energy: -124.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1456.739782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.739782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.739782 (E_RNA) where: Base-Base interactions energy: -869.956 where: short stacking energy: -455.292 Base-Backbone interact. energy: -1.843 local terms energy: -584.940829 where: bonds (distance) C4'-P energy: -124.761 bonds (distance) P-C4' energy: -161.890 flat angles C4'-P-C4' energy: -124.424 flat angles P-C4'-P energy: -70.355 tors. eta vs tors. theta energy: -103.511 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: 13 Temperature: 1.100000 Total energy: -1220.318814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.318814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.318814 (E_RNA) where: Base-Base interactions energy: -668.636 where: short stacking energy: -380.777 Base-Backbone interact. energy: 0.710 local terms energy: -552.393277 where: bonds (distance) C4'-P energy: -128.505 bonds (distance) P-C4' energy: -143.815 flat angles C4'-P-C4' energy: -140.844 flat angles P-C4'-P energy: -72.100 tors. eta vs tors. theta energy: -67.129 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: 9 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1153.752251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.752251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.752251 (E_RNA) where: Base-Base interactions energy: -644.872 where: short stacking energy: -347.818 Base-Backbone interact. energy: -0.217 local terms energy: -508.663922 where: bonds (distance) C4'-P energy: -140.034 bonds (distance) P-C4' energy: -135.668 flat angles C4'-P-C4' energy: -128.184 flat angles P-C4'-P energy: -55.118 tors. eta vs tors. theta energy: -49.661 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: 5 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -879.995235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.995235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.995235 (E_RNA) where: Base-Base interactions energy: -421.193 where: short stacking energy: -281.492 Base-Backbone interact. energy: -1.495 local terms energy: -457.307793 where: bonds (distance) C4'-P energy: -124.613 bonds (distance) P-C4' energy: -124.082 flat angles C4'-P-C4' energy: -107.546 flat angles P-C4'-P energy: -82.781 tors. eta vs tors. theta energy: -18.287 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: 13 Temperature: 1.250000 Total energy: -716.188361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.188361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.188361 (E_RNA) where: Base-Base interactions energy: -317.079 where: short stacking energy: -230.529 Base-Backbone interact. energy: -1.850 local terms energy: -397.259872 where: bonds (distance) C4'-P energy: -120.624 bonds (distance) P-C4' energy: -120.192 flat angles C4'-P-C4' energy: -108.475 flat angles P-C4'-P energy: -55.480 tors. eta vs tors. theta energy: 7.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -677.822971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.822971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.822971 (E_RNA) where: Base-Base interactions energy: -264.363 where: short stacking energy: -204.089 Base-Backbone interact. energy: -1.204 local terms energy: -412.256502 where: bonds (distance) C4'-P energy: -141.879 bonds (distance) P-C4' energy: -130.032 flat angles C4'-P-C4' energy: -94.090 flat angles P-C4'-P energy: -48.602 tors. eta vs tors. theta energy: 2.347 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: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -651.949778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.949778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.949778 (E_RNA) where: Base-Base interactions energy: -284.154 where: short stacking energy: -189.032 Base-Backbone interact. energy: -4.050 local terms energy: -363.746213 where: bonds (distance) C4'-P energy: -111.028 bonds (distance) P-C4' energy: -117.310 flat angles C4'-P-C4' energy: -101.642 flat angles P-C4'-P energy: -57.913 tors. eta vs tors. theta energy: 24.147 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: 6 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1844.803546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.803546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.803546 (E_RNA) where: Base-Base interactions energy: -1096.334 where: short stacking energy: -635.731 Base-Backbone interact. energy: -2.545 local terms energy: -745.924384 where: bonds (distance) C4'-P energy: -163.413 bonds (distance) P-C4' energy: -157.508 flat angles C4'-P-C4' energy: -151.466 flat angles P-C4'-P energy: -106.202 tors. eta vs tors. theta energy: -167.337 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: 1 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1540.349476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.349476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.349476 (E_RNA) where: Base-Base interactions energy: -837.337 where: short stacking energy: -498.391 Base-Backbone interact. energy: 1.534 local terms energy: -704.546606 where: bonds (distance) C4'-P energy: -152.000 bonds (distance) P-C4' energy: -167.292 flat angles C4'-P-C4' energy: -161.752 flat angles P-C4'-P energy: -97.479 tors. eta vs tors. theta energy: -126.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1645.080026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.080026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.080026 (E_RNA) where: Base-Base interactions energy: -980.689 where: short stacking energy: -482.501 Base-Backbone interact. energy: -1.403 local terms energy: -662.988090 where: bonds (distance) C4'-P energy: -144.052 bonds (distance) P-C4' energy: -147.500 flat angles C4'-P-C4' energy: -155.930 flat angles P-C4'-P energy: -100.785 tors. eta vs tors. theta energy: -114.721 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: 4, replica: 2 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1305.322111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.322111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.322111 (E_RNA) where: Base-Base interactions energy: -714.937 where: short stacking energy: -484.330 Base-Backbone interact. energy: 1.352 local terms energy: -591.737105 where: bonds (distance) C4'-P energy: -144.399 bonds (distance) P-C4' energy: -144.670 flat angles C4'-P-C4' energy: -141.000 flat angles P-C4'-P energy: -58.513 tors. eta vs tors. theta energy: -103.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1232.802196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.802196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.802196 (E_RNA) where: Base-Base interactions energy: -689.997 where: short stacking energy: -419.571 Base-Backbone interact. energy: 0.860 local terms energy: -543.665009 where: bonds (distance) C4'-P energy: -140.050 bonds (distance) P-C4' energy: -109.617 flat angles C4'-P-C4' energy: -130.432 flat angles P-C4'-P energy: -85.972 tors. eta vs tors. theta energy: -77.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1182.794231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.794231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.794231 (E_RNA) where: Base-Base interactions energy: -653.878 where: short stacking energy: -377.081 Base-Backbone interact. energy: 3.069 local terms energy: -531.986058 where: bonds (distance) C4'-P energy: -137.161 bonds (distance) P-C4' energy: -135.437 flat angles C4'-P-C4' energy: -106.929 flat angles P-C4'-P energy: -85.010 tors. eta vs tors. theta energy: -67.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -837.238749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.238749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.238749 (E_RNA) where: Base-Base interactions energy: -398.593 where: short stacking energy: -271.550 Base-Backbone interact. energy: 5.014 local terms energy: -443.660218 where: bonds (distance) C4'-P energy: -126.010 bonds (distance) P-C4' energy: -120.754 flat angles C4'-P-C4' energy: -116.833 flat angles P-C4'-P energy: -71.673 tors. eta vs tors. theta energy: -8.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -703.933558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.933558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.933558 (E_RNA) where: Base-Base interactions energy: -299.390 where: short stacking energy: -213.969 Base-Backbone interact. energy: -2.736 local terms energy: -401.807405 where: bonds (distance) C4'-P energy: -130.166 bonds (distance) P-C4' energy: -125.238 flat angles C4'-P-C4' energy: -105.901 flat angles P-C4'-P energy: -62.824 tors. eta vs tors. theta energy: 22.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -772.939588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.939588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.939588 (E_RNA) where: Base-Base interactions energy: -358.147 where: short stacking energy: -220.085 Base-Backbone interact. energy: 1.299 local terms energy: -416.091371 where: bonds (distance) C4'-P energy: -115.989 bonds (distance) P-C4' energy: -139.371 flat angles C4'-P-C4' energy: -98.165 flat angles P-C4'-P energy: -69.154 tors. eta vs tors. theta energy: 6.587 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: 10, replica: 4 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -681.151009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.151009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.151009 (E_RNA) where: Base-Base interactions energy: -302.894 where: short stacking energy: -180.049 Base-Backbone interact. energy: -0.658 local terms energy: -377.598563 where: bonds (distance) C4'-P energy: -107.549 bonds (distance) P-C4' energy: -119.080 flat angles C4'-P-C4' energy: -82.917 flat angles P-C4'-P energy: -64.010 tors. eta vs tors. theta energy: -4.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1914.350204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.350204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.350204 (E_RNA) where: Base-Base interactions energy: -1176.571 where: short stacking energy: -651.006 Base-Backbone interact. energy: -3.611 local terms energy: -734.167674 where: bonds (distance) C4'-P energy: -152.144 bonds (distance) P-C4' energy: -152.705 flat angles C4'-P-C4' energy: -156.249 flat angles P-C4'-P energy: -109.241 tors. eta vs tors. theta energy: -163.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1774.604257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.604257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.604257 (E_RNA) where: Base-Base interactions energy: -1088.501 where: short stacking energy: -579.163 Base-Backbone interact. energy: -0.864 local terms energy: -685.238441 where: bonds (distance) C4'-P energy: -133.348 bonds (distance) P-C4' energy: -149.596 flat angles C4'-P-C4' energy: -144.017 flat angles P-C4'-P energy: -104.791 tors. eta vs tors. theta energy: -153.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1486.280061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.280061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.280061 (E_RNA) where: Base-Base interactions energy: -839.775 where: short stacking energy: -466.144 Base-Backbone interact. energy: -2.508 local terms energy: -643.997060 where: bonds (distance) C4'-P energy: -137.171 bonds (distance) P-C4' energy: -161.631 flat angles C4'-P-C4' energy: -147.919 flat angles P-C4'-P energy: -92.764 tors. eta vs tors. theta energy: -104.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1281.188585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.188585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.188585 (E_RNA) where: Base-Base interactions energy: -668.446 where: short stacking energy: -395.335 Base-Backbone interact. energy: -1.870 local terms energy: -610.872726 where: bonds (distance) C4'-P energy: -153.101 bonds (distance) P-C4' energy: -129.479 flat angles C4'-P-C4' energy: -133.627 flat angles P-C4'-P energy: -91.226 tors. eta vs tors. theta energy: -103.440 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: 3 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1138.103857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.103857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.103857 (E_RNA) where: Base-Base interactions energy: -618.293 where: short stacking energy: -356.248 Base-Backbone interact. energy: -0.717 local terms energy: -519.093256 where: bonds (distance) C4'-P energy: -124.978 bonds (distance) P-C4' energy: -127.635 flat angles C4'-P-C4' energy: -130.723 flat angles P-C4'-P energy: -80.697 tors. eta vs tors. theta energy: -55.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1157.755157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.755157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.755157 (E_RNA) where: Base-Base interactions energy: -613.550 where: short stacking energy: -369.516 Base-Backbone interact. energy: 0.643 local terms energy: -544.847980 where: bonds (distance) C4'-P energy: -131.383 bonds (distance) P-C4' energy: -141.663 flat angles C4'-P-C4' energy: -125.310 flat angles P-C4'-P energy: -81.007 tors. eta vs tors. theta energy: -65.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -867.588550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.588550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.588550 (E_RNA) where: Base-Base interactions energy: -418.669 where: short stacking energy: -295.086 Base-Backbone interact. energy: -2.458 local terms energy: -446.460877 where: bonds (distance) C4'-P energy: -121.295 bonds (distance) P-C4' energy: -120.043 flat angles C4'-P-C4' energy: -100.314 flat angles P-C4'-P energy: -68.192 tors. eta vs tors. theta energy: -36.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -895.159110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.159110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.159110 (E_RNA) where: Base-Base interactions energy: -409.405 where: short stacking energy: -235.524 Base-Backbone interact. energy: -5.081 local terms energy: -480.672693 where: bonds (distance) C4'-P energy: -135.006 bonds (distance) P-C4' energy: -130.466 flat angles C4'-P-C4' energy: -121.191 flat angles P-C4'-P energy: -77.868 tors. eta vs tors. theta energy: -16.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -655.301595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.301595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.301595 (E_RNA) where: Base-Base interactions energy: -276.301 where: short stacking energy: -192.718 Base-Backbone interact. energy: -1.558 local terms energy: -377.442571 where: bonds (distance) C4'-P energy: -116.531 bonds (distance) P-C4' energy: -130.223 flat angles C4'-P-C4' energy: -98.944 flat angles P-C4'-P energy: -65.291 tors. eta vs tors. theta energy: 33.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -552.454252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.454252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.454252 (E_RNA) where: Base-Base interactions energy: -206.671 where: short stacking energy: -181.700 Base-Backbone interact. energy: 1.630 local terms energy: -347.413067 where: bonds (distance) C4'-P energy: -115.724 bonds (distance) P-C4' energy: -126.492 flat angles C4'-P-C4' energy: -100.125 flat angles P-C4'-P energy: -38.889 tors. eta vs tors. theta energy: 33.818 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: 6 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1904.920398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.920398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.920398 (E_RNA) where: Base-Base interactions energy: -1187.026 where: short stacking energy: -628.945 Base-Backbone interact. energy: 3.137 local terms energy: -721.031218 where: bonds (distance) C4'-P energy: -139.667 bonds (distance) P-C4' energy: -148.950 flat angles C4'-P-C4' energy: -161.277 flat angles P-C4'-P energy: -97.766 tors. eta vs tors. theta energy: -173.371 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: 2, replica: 7 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1834.391735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.391735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.391735 (E_RNA) where: Base-Base interactions energy: -1130.112 where: short stacking energy: -639.500 Base-Backbone interact. energy: -0.822 local terms energy: -703.457434 where: bonds (distance) C4'-P energy: -144.891 bonds (distance) P-C4' energy: -140.642 flat angles C4'-P-C4' energy: -151.600 flat angles P-C4'-P energy: -99.673 tors. eta vs tors. theta energy: -166.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1501.114701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.114701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.114701 (E_RNA) where: Base-Base interactions energy: -871.790 where: short stacking energy: -498.557 Base-Backbone interact. energy: -1.804 local terms energy: -627.520782 where: bonds (distance) C4'-P energy: -124.742 bonds (distance) P-C4' energy: -133.619 flat angles C4'-P-C4' energy: -163.570 flat angles P-C4'-P energy: -94.966 tors. eta vs tors. theta energy: -110.623 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: 2 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1321.606087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.606087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.606087 (E_RNA) where: Base-Base interactions energy: -721.639 where: short stacking energy: -437.558 Base-Backbone interact. energy: -0.948 local terms energy: -599.018678 where: bonds (distance) C4'-P energy: -149.750 bonds (distance) P-C4' energy: -146.978 flat angles C4'-P-C4' energy: -121.144 flat angles P-C4'-P energy: -97.660 tors. eta vs tors. theta energy: -83.486 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: 5, replica: 3 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1137.899864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.899864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.899864 (E_RNA) where: Base-Base interactions energy: -622.786 where: short stacking energy: -345.383 Base-Backbone interact. energy: 0.132 local terms energy: -515.246226 where: bonds (distance) C4'-P energy: -131.377 bonds (distance) P-C4' energy: -139.265 flat angles C4'-P-C4' energy: -110.200 flat angles P-C4'-P energy: -85.784 tors. eta vs tors. theta energy: -48.621 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: 9 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1212.889899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.889899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.889899 (E_RNA) where: Base-Base interactions energy: -691.782 where: short stacking energy: -400.749 Base-Backbone interact. energy: 0.412 local terms energy: -521.519676 where: bonds (distance) C4'-P energy: -124.471 bonds (distance) P-C4' energy: -144.969 flat angles C4'-P-C4' energy: -117.450 flat angles P-C4'-P energy: -77.511 tors. eta vs tors. theta energy: -57.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1062.308618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.308618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.308618 (E_RNA) where: Base-Base interactions energy: -573.669 where: short stacking energy: -320.433 Base-Backbone interact. energy: 2.482 local terms energy: -491.122189 where: bonds (distance) C4'-P energy: -114.656 bonds (distance) P-C4' energy: -133.289 flat angles C4'-P-C4' energy: -119.193 flat angles P-C4'-P energy: -83.688 tors. eta vs tors. theta energy: -40.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -833.918107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.918107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.918107 (E_RNA) where: Base-Base interactions energy: -396.332 where: short stacking energy: -252.427 Base-Backbone interact. energy: -2.313 local terms energy: -435.273199 where: bonds (distance) C4'-P energy: -133.516 bonds (distance) P-C4' energy: -118.128 flat angles C4'-P-C4' energy: -113.157 flat angles P-C4'-P energy: -64.248 tors. eta vs tors. theta energy: -6.224 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: 4 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -673.621069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.621069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.621069 (E_RNA) where: Base-Base interactions energy: -279.034 where: short stacking energy: -193.031 Base-Backbone interact. energy: 0.121 local terms energy: -394.708280 where: bonds (distance) C4'-P energy: -122.238 bonds (distance) P-C4' energy: -114.605 flat angles C4'-P-C4' energy: -99.171 flat angles P-C4'-P energy: -80.485 tors. eta vs tors. theta energy: 21.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -626.807651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.807651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.807651 (E_RNA) where: Base-Base interactions energy: -243.341 where: short stacking energy: -174.306 Base-Backbone interact. energy: -0.612 local terms energy: -382.855028 where: bonds (distance) C4'-P energy: -126.579 bonds (distance) P-C4' energy: -122.421 flat angles C4'-P-C4' energy: -100.269 flat angles P-C4'-P energy: -48.716 tors. eta vs tors. theta energy: 15.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1887.618342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.618342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.618342 (E_RNA) where: Base-Base interactions energy: -1149.035 where: short stacking energy: -646.057 Base-Backbone interact. energy: 0.135 local terms energy: -738.717766 where: bonds (distance) C4'-P energy: -152.823 bonds (distance) P-C4' energy: -147.509 flat angles C4'-P-C4' energy: -166.748 flat angles P-C4'-P energy: -100.289 tors. eta vs tors. theta energy: -171.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1846.724429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.724429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.724429 (E_RNA) where: Base-Base interactions energy: -1142.617 where: short stacking energy: -599.402 Base-Backbone interact. energy: -1.715 local terms energy: -702.392529 where: bonds (distance) C4'-P energy: -140.972 bonds (distance) P-C4' energy: -143.238 flat angles C4'-P-C4' energy: -151.202 flat angles P-C4'-P energy: -101.932 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: 3, replica: 1 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1565.302271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.302271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.302271 (E_RNA) where: Base-Base interactions energy: -939.422 where: short stacking energy: -490.479 Base-Backbone interact. energy: -2.729 local terms energy: -623.151348 where: bonds (distance) C4'-P energy: -139.591 bonds (distance) P-C4' energy: -140.214 flat angles C4'-P-C4' energy: -150.017 flat angles P-C4'-P energy: -92.645 tors. eta vs tors. theta energy: -100.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1393.511045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.511045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.511045 (E_RNA) where: Base-Base interactions energy: -757.863 where: short stacking energy: -461.484 Base-Backbone interact. energy: -2.298 local terms energy: -633.349820 where: bonds (distance) C4'-P energy: -145.020 bonds (distance) P-C4' energy: -143.367 flat angles C4'-P-C4' energy: -139.986 flat angles P-C4'-P energy: -83.312 tors. eta vs tors. theta energy: -121.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1220.514360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.514360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.514360 (E_RNA) where: Base-Base interactions energy: -681.935 where: short stacking energy: -373.274 Base-Backbone interact. energy: -2.662 local terms energy: -535.917307 where: bonds (distance) C4'-P energy: -127.210 bonds (distance) P-C4' energy: -146.191 flat angles C4'-P-C4' energy: -146.139 flat angles P-C4'-P energy: -59.535 tors. eta vs tors. theta energy: -56.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1213.783391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.783391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.783391 (E_RNA) where: Base-Base interactions energy: -704.629 where: short stacking energy: -373.869 Base-Backbone interact. energy: -2.132 local terms energy: -507.021929 where: bonds (distance) C4'-P energy: -116.408 bonds (distance) P-C4' energy: -138.975 flat angles C4'-P-C4' energy: -125.124 flat angles P-C4'-P energy: -73.187 tors. eta vs tors. theta energy: -53.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1125.075330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.075330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.075330 (E_RNA) where: Base-Base interactions energy: -606.555 where: short stacking energy: -342.266 Base-Backbone interact. energy: 1.370 local terms energy: -519.890028 where: bonds (distance) C4'-P energy: -147.345 bonds (distance) P-C4' energy: -137.558 flat angles C4'-P-C4' energy: -106.368 flat angles P-C4'-P energy: -75.015 tors. eta vs tors. theta energy: -53.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -863.768906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.768906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.768906 (E_RNA) where: Base-Base interactions energy: -423.256 where: short stacking energy: -287.248 Base-Backbone interact. energy: -0.447 local terms energy: -440.065731 where: bonds (distance) C4'-P energy: -121.710 bonds (distance) P-C4' energy: -132.574 flat angles C4'-P-C4' energy: -116.116 flat angles P-C4'-P energy: -52.649 tors. eta vs tors. theta energy: -17.017 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: 4 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -704.757271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.757271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.757271 (E_RNA) where: Base-Base interactions energy: -304.870 where: short stacking energy: -203.039 Base-Backbone interact. energy: 0.799 local terms energy: -400.686165 where: bonds (distance) C4'-P energy: -107.443 bonds (distance) P-C4' energy: -127.539 flat angles C4'-P-C4' energy: -111.583 flat angles P-C4'-P energy: -60.270 tors. eta vs tors. theta energy: 6.149 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: 8 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -636.520058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.520058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.520058 (E_RNA) where: Base-Base interactions energy: -245.740 where: short stacking energy: -171.348 Base-Backbone interact. energy: -2.448 local terms energy: -388.331797 where: bonds (distance) C4'-P energy: -115.338 bonds (distance) P-C4' energy: -131.091 flat angles C4'-P-C4' energy: -94.411 flat angles P-C4'-P energy: -79.799 tors. eta vs tors. theta energy: 32.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1905.596693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.596693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.596693 (E_RNA) where: Base-Base interactions energy: -1174.731 where: short stacking energy: -634.291 Base-Backbone interact. energy: -0.474 local terms energy: -730.392149 where: bonds (distance) C4'-P energy: -140.673 bonds (distance) P-C4' energy: -161.037 flat angles C4'-P-C4' energy: -161.736 flat angles P-C4'-P energy: -94.873 tors. eta vs tors. theta energy: -172.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1827.416744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.416744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.416744 (E_RNA) where: Base-Base interactions energy: -1144.700 where: short stacking energy: -619.485 Base-Backbone interact. energy: 0.748 local terms energy: -683.464997 where: bonds (distance) C4'-P energy: -147.489 bonds (distance) P-C4' energy: -146.880 flat angles C4'-P-C4' energy: -146.912 flat angles P-C4'-P energy: -92.567 tors. eta vs tors. theta energy: -149.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1573.832877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.832877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.832877 (E_RNA) where: Base-Base interactions energy: -923.610 where: short stacking energy: -489.461 Base-Backbone interact. energy: -3.910 local terms energy: -646.312698 where: bonds (distance) C4'-P energy: -148.804 bonds (distance) P-C4' energy: -141.799 flat angles C4'-P-C4' energy: -155.871 flat angles P-C4'-P energy: -83.143 tors. eta vs tors. theta energy: -116.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1401.570621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.570621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.570621 (E_RNA) where: Base-Base interactions energy: -817.349 where: short stacking energy: -443.603 Base-Backbone interact. energy: -1.335 local terms energy: -582.886557 where: bonds (distance) C4'-P energy: -130.083 bonds (distance) P-C4' energy: -135.699 flat angles C4'-P-C4' energy: -125.485 flat angles P-C4'-P energy: -90.467 tors. eta vs tors. theta energy: -101.153 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: 3 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1250.475547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.475547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.475547 (E_RNA) where: Base-Base interactions energy: -695.787 where: short stacking energy: -367.279 Base-Backbone interact. energy: -2.097 local terms energy: -552.591085 where: bonds (distance) C4'-P energy: -134.487 bonds (distance) P-C4' energy: -133.313 flat angles C4'-P-C4' energy: -140.202 flat angles P-C4'-P energy: -70.903 tors. eta vs tors. theta energy: -73.686 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: 18 Temperature: 1.150000 Total energy: -1244.332449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.332449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.332449 (E_RNA) where: Base-Base interactions energy: -703.704 where: short stacking energy: -409.746 Base-Backbone interact. energy: -1.129 local terms energy: -539.499331 where: bonds (distance) C4'-P energy: -116.827 bonds (distance) P-C4' energy: -141.461 flat angles C4'-P-C4' energy: -114.659 flat angles P-C4'-P energy: -90.745 tors. eta vs tors. theta energy: -75.807 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: 7, replica: 10 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1098.182441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.182441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.182441 (E_RNA) where: Base-Base interactions energy: -593.029 where: short stacking energy: -341.978 Base-Backbone interact. energy: 0.979 local terms energy: -506.132684 where: bonds (distance) C4'-P energy: -123.564 bonds (distance) P-C4' energy: -124.037 flat angles C4'-P-C4' energy: -114.357 flat angles P-C4'-P energy: -84.415 tors. eta vs tors. theta energy: -59.759 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: 5 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -853.643860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.643860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.643860 (E_RNA) where: Base-Base interactions energy: -393.971 where: short stacking energy: -251.673 Base-Backbone interact. energy: -0.210 local terms energy: -459.462220 where: bonds (distance) C4'-P energy: -120.545 bonds (distance) P-C4' energy: -135.251 flat angles C4'-P-C4' energy: -114.779 flat angles P-C4'-P energy: -70.760 tors. eta vs tors. theta energy: -18.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -777.355101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.355101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.355101 (E_RNA) where: Base-Base interactions energy: -388.179 where: short stacking energy: -255.820 Base-Backbone interact. energy: 3.031 local terms energy: -392.207261 where: bonds (distance) C4'-P energy: -100.306 bonds (distance) P-C4' energy: -120.725 flat angles C4'-P-C4' energy: -107.745 flat angles P-C4'-P energy: -57.702 tors. eta vs tors. theta energy: -5.730 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: 18 Temperature: 1.350000 Total energy: -638.318542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.318542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.318542 (E_RNA) where: Base-Base interactions energy: -222.739 where: short stacking energy: -165.840 Base-Backbone interact. energy: -0.330 local terms energy: -415.249640 where: bonds (distance) C4'-P energy: -129.537 bonds (distance) P-C4' energy: -129.254 flat angles C4'-P-C4' energy: -108.534 flat angles P-C4'-P energy: -59.388 tors. eta vs tors. theta energy: 11.463 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: 1, replica: 6 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1902.707269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.707269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.707269 (E_RNA) where: Base-Base interactions energy: -1161.958 where: short stacking energy: -630.621 Base-Backbone interact. energy: 1.566 local terms energy: -742.315203 where: bonds (distance) C4'-P energy: -156.501 bonds (distance) P-C4' energy: -156.963 flat angles C4'-P-C4' energy: -154.454 flat angles P-C4'-P energy: -99.210 tors. eta vs tors. theta energy: -175.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1795.646379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.646379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.646379 (E_RNA) where: Base-Base interactions energy: -1096.536 where: short stacking energy: -571.267 Base-Backbone interact. energy: 2.116 local terms energy: -701.225869 where: bonds (distance) C4'-P energy: -150.415 bonds (distance) P-C4' energy: -151.276 flat angles C4'-P-C4' energy: -162.349 flat angles P-C4'-P energy: -85.984 tors. eta vs tors. theta energy: -151.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1615.151220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.151220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.151220 (E_RNA) where: Base-Base interactions energy: -959.831 where: short stacking energy: -544.085 Base-Backbone interact. energy: -1.939 local terms energy: -653.381118 where: bonds (distance) C4'-P energy: -138.571 bonds (distance) P-C4' energy: -140.185 flat angles C4'-P-C4' energy: -151.332 flat angles P-C4'-P energy: -93.253 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: 4, replica: 2 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1428.246566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.246566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.246566 (E_RNA) where: Base-Base interactions energy: -796.754 where: short stacking energy: -461.155 Base-Backbone interact. energy: -1.925 local terms energy: -629.567756 where: bonds (distance) C4'-P energy: -141.082 bonds (distance) P-C4' energy: -131.250 flat angles C4'-P-C4' energy: -151.002 flat angles P-C4'-P energy: -109.041 tors. eta vs tors. theta energy: -97.193 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: 19 Temperature: 1.100000 Total energy: -1217.204656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.204656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.204656 (E_RNA) where: Base-Base interactions energy: -643.921 where: short stacking energy: -385.238 Base-Backbone interact. energy: 0.707 local terms energy: -573.990405 where: bonds (distance) C4'-P energy: -148.740 bonds (distance) P-C4' energy: -142.106 flat angles C4'-P-C4' energy: -125.685 flat angles P-C4'-P energy: -81.395 tors. eta vs tors. theta energy: -76.065 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: 6, replica: 9 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1336.930885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.930885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.930885 (E_RNA) where: Base-Base interactions energy: -777.450 where: short stacking energy: -413.862 Base-Backbone interact. energy: -2.063 local terms energy: -557.417495 where: bonds (distance) C4'-P energy: -116.375 bonds (distance) P-C4' energy: -130.192 flat angles C4'-P-C4' energy: -136.943 flat angles P-C4'-P energy: -84.384 tors. eta vs tors. theta energy: -89.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1120.356435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.356435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.356435 (E_RNA) where: Base-Base interactions energy: -640.991 where: short stacking energy: -329.734 Base-Backbone interact. energy: -5.310 local terms energy: -474.055701 where: bonds (distance) C4'-P energy: -106.694 bonds (distance) P-C4' energy: -135.015 flat angles C4'-P-C4' energy: -132.661 flat angles P-C4'-P energy: -57.529 tors. eta vs tors. theta energy: -42.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -878.908278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.908278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.908278 (E_RNA) where: Base-Base interactions energy: -398.349 where: short stacking energy: -268.123 Base-Backbone interact. energy: -0.081 local terms energy: -480.478028 where: bonds (distance) C4'-P energy: -142.885 bonds (distance) P-C4' energy: -128.430 flat angles C4'-P-C4' energy: -123.897 flat angles P-C4'-P energy: -77.993 tors. eta vs tors. theta energy: -7.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -764.908865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.908865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.908865 (E_RNA) where: Base-Base interactions energy: -367.501 where: short stacking energy: -209.317 Base-Backbone interact. energy: -0.624 local terms energy: -396.783852 where: bonds (distance) C4'-P energy: -114.263 bonds (distance) P-C4' energy: -132.853 flat angles C4'-P-C4' energy: -102.724 flat angles P-C4'-P energy: -56.309 tors. eta vs tors. theta energy: 9.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -589.270023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.270023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.270023 (E_RNA) where: Base-Base interactions energy: -237.846 where: short stacking energy: -158.761 Base-Backbone interact. energy: -2.952 local terms energy: -348.471886 where: bonds (distance) C4'-P energy: -117.527 bonds (distance) P-C4' energy: -126.462 flat angles C4'-P-C4' energy: -87.396 flat angles P-C4'-P energy: -54.898 tors. eta vs tors. theta energy: 37.812 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: 6 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1920.986303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.986303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.986303 (E_RNA) where: Base-Base interactions energy: -1187.398 where: short stacking energy: -666.320 Base-Backbone interact. energy: -0.556 local terms energy: -733.032214 where: bonds (distance) C4'-P energy: -143.366 bonds (distance) P-C4' energy: -151.270 flat angles C4'-P-C4' energy: -158.855 flat angles P-C4'-P energy: -106.644 tors. eta vs tors. theta energy: -172.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1807.885162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.885162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.885162 (E_RNA) where: Base-Base interactions energy: -1107.205 where: short stacking energy: -570.380 Base-Backbone interact. energy: -0.163 local terms energy: -700.517381 where: bonds (distance) C4'-P energy: -149.109 bonds (distance) P-C4' energy: -139.730 flat angles C4'-P-C4' energy: -156.875 flat angles P-C4'-P energy: -105.015 tors. eta vs tors. theta energy: -149.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1557.501284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.501284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.501284 (E_RNA) where: Base-Base interactions energy: -942.831 where: short stacking energy: -511.844 Base-Backbone interact. energy: -3.015 local terms energy: -611.654821 where: bonds (distance) C4'-P energy: -134.755 bonds (distance) P-C4' energy: -154.592 flat angles C4'-P-C4' energy: -131.769 flat angles P-C4'-P energy: -80.734 tors. eta vs tors. theta energy: -109.806 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: 2 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1467.662847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.662847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.662847 (E_RNA) where: Base-Base interactions energy: -881.813 where: short stacking energy: -463.720 Base-Backbone interact. energy: -0.789 local terms energy: -585.060836 where: bonds (distance) C4'-P energy: -127.388 bonds (distance) P-C4' energy: -141.813 flat angles C4'-P-C4' energy: -121.279 flat angles P-C4'-P energy: -94.452 tors. eta vs tors. theta energy: -100.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1493.178386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.178386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.178386 (E_RNA) where: Base-Base interactions energy: -899.277 where: short stacking energy: -471.436 Base-Backbone interact. energy: -0.542 local terms energy: -593.359172 where: bonds (distance) C4'-P energy: -114.864 bonds (distance) P-C4' energy: -130.036 flat angles C4'-P-C4' energy: -137.869 flat angles P-C4'-P energy: -96.194 tors. eta vs tors. theta energy: -114.398 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: 3 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1168.716616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.716616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.716616 (E_RNA) where: Base-Base interactions energy: -625.165 where: short stacking energy: -343.225 Base-Backbone interact. energy: -0.661 local terms energy: -542.890409 where: bonds (distance) C4'-P energy: -119.486 bonds (distance) P-C4' energy: -138.101 flat angles C4'-P-C4' energy: -127.365 flat angles P-C4'-P energy: -88.602 tors. eta vs tors. theta energy: -69.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1160.107788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.107788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.107788 (E_RNA) where: Base-Base interactions energy: -669.136 where: short stacking energy: -329.245 Base-Backbone interact. energy: 3.817 local terms energy: -494.788845 where: bonds (distance) C4'-P energy: -116.888 bonds (distance) P-C4' energy: -148.145 flat angles C4'-P-C4' energy: -125.936 flat angles P-C4'-P energy: -70.298 tors. eta vs tors. theta energy: -33.521 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: 5 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -855.776491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.776491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.776491 (E_RNA) where: Base-Base interactions energy: -419.012 where: short stacking energy: -279.190 Base-Backbone interact. energy: -2.234 local terms energy: -434.530317 where: bonds (distance) C4'-P energy: -115.644 bonds (distance) P-C4' energy: -114.008 flat angles C4'-P-C4' energy: -117.017 flat angles P-C4'-P energy: -66.225 tors. eta vs tors. theta energy: -21.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -840.743405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.743405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.743405 (E_RNA) where: Base-Base interactions energy: -388.994 where: short stacking energy: -242.678 Base-Backbone interact. energy: 2.756 local terms energy: -454.504751 where: bonds (distance) C4'-P energy: -125.440 bonds (distance) P-C4' energy: -145.623 flat angles C4'-P-C4' energy: -112.598 flat angles P-C4'-P energy: -57.832 tors. eta vs tors. theta energy: -13.012 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: 20 Temperature: 1.350000 Total energy: -601.732245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.732245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.732245 (E_RNA) where: Base-Base interactions energy: -235.390 where: short stacking energy: -173.133 Base-Backbone interact. energy: 4.911 local terms energy: -371.253464 where: bonds (distance) C4'-P energy: -115.057 bonds (distance) P-C4' energy: -128.598 flat angles C4'-P-C4' energy: -111.663 flat angles P-C4'-P energy: -37.022 tors. eta vs tors. theta energy: 21.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1920.743257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.743257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.743257 (E_RNA) where: Base-Base interactions energy: -1205.109 where: short stacking energy: -623.106 Base-Backbone interact. energy: -2.114 local terms energy: -713.520877 where: bonds (distance) C4'-P energy: -141.976 bonds (distance) P-C4' energy: -137.776 flat angles C4'-P-C4' energy: -160.979 flat angles P-C4'-P energy: -115.438 tors. eta vs tors. theta energy: -157.351 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: 21 Temperature: 0.950000 Total energy: -1836.293987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.293987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.293987 (E_RNA) where: Base-Base interactions energy: -1133.593 where: short stacking energy: -591.887 Base-Backbone interact. energy: -4.374 local terms energy: -698.327083 where: bonds (distance) C4'-P energy: -136.771 bonds (distance) P-C4' energy: -155.013 flat angles C4'-P-C4' energy: -149.796 flat angles P-C4'-P energy: -97.075 tors. eta vs tors. theta energy: -159.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1590.562315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.562315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.562315 (E_RNA) where: Base-Base interactions energy: -973.504 where: short stacking energy: -515.495 Base-Backbone interact. energy: 1.018 local terms energy: -618.076322 where: bonds (distance) C4'-P energy: -138.243 bonds (distance) P-C4' energy: -151.728 flat angles C4'-P-C4' energy: -141.103 flat angles P-C4'-P energy: -89.159 tors. eta vs tors. theta energy: -97.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1557.489205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.489205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.489205 (E_RNA) where: Base-Base interactions energy: -951.976 where: short stacking energy: -491.165 Base-Backbone interact. energy: -1.990 local terms energy: -603.523071 where: bonds (distance) C4'-P energy: -140.700 bonds (distance) P-C4' energy: -120.720 flat angles C4'-P-C4' energy: -142.971 flat angles P-C4'-P energy: -80.429 tors. eta vs tors. theta energy: -118.704 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: 2 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1391.908819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.908819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.908819 (E_RNA) where: Base-Base interactions energy: -826.264 where: short stacking energy: -410.661 Base-Backbone interact. energy: 2.277 local terms energy: -567.921574 where: bonds (distance) C4'-P energy: -131.294 bonds (distance) P-C4' energy: -143.504 flat angles C4'-P-C4' energy: -139.212 flat angles P-C4'-P energy: -83.071 tors. eta vs tors. theta energy: -70.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1207.908593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.908593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.908593 (E_RNA) where: Base-Base interactions energy: -696.122 where: short stacking energy: -356.887 Base-Backbone interact. energy: -1.909 local terms energy: -509.877777 where: bonds (distance) C4'-P energy: -116.413 bonds (distance) P-C4' energy: -147.670 flat angles C4'-P-C4' energy: -125.229 flat angles P-C4'-P energy: -71.827 tors. eta vs tors. theta energy: -48.739 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: 3 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1097.976962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.976962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.976962 (E_RNA) where: Base-Base interactions energy: -614.067 where: short stacking energy: -373.697 Base-Backbone interact. energy: 4.648 local terms energy: -488.558013 where: bonds (distance) C4'-P energy: -109.903 bonds (distance) P-C4' energy: -132.259 flat angles C4'-P-C4' energy: -106.458 flat angles P-C4'-P energy: -72.185 tors. eta vs tors. theta energy: -67.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -946.731814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.731814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.731814 (E_RNA) where: Base-Base interactions energy: -514.117 where: short stacking energy: -275.339 Base-Backbone interact. energy: -0.548 local terms energy: -432.066950 where: bonds (distance) C4'-P energy: -109.762 bonds (distance) P-C4' energy: -118.068 flat angles C4'-P-C4' energy: -118.982 flat angles P-C4'-P energy: -65.287 tors. eta vs tors. theta energy: -19.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -818.356951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.356951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.356951 (E_RNA) where: Base-Base interactions energy: -418.019 where: short stacking energy: -226.636 Base-Backbone interact. energy: -1.255 local terms energy: -399.083008 where: bonds (distance) C4'-P energy: -107.420 bonds (distance) P-C4' energy: -130.855 flat angles C4'-P-C4' energy: -97.726 flat angles P-C4'-P energy: -65.511 tors. eta vs tors. theta energy: 2.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -618.308605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.308605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.308605 (E_RNA) where: Base-Base interactions energy: -239.670 where: short stacking energy: -164.341 Base-Backbone interact. energy: -1.549 local terms energy: -377.089428 where: bonds (distance) C4'-P energy: -123.927 bonds (distance) P-C4' energy: -129.444 flat angles C4'-P-C4' energy: -102.055 flat angles P-C4'-P energy: -57.164 tors. eta vs tors. theta energy: 35.500 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: 6 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1904.012543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.012543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.012543 (E_RNA) where: Base-Base interactions energy: -1173.521 where: short stacking energy: -649.913 Base-Backbone interact. energy: -0.402 local terms energy: -730.089034 where: bonds (distance) C4'-P energy: -152.095 bonds (distance) P-C4' energy: -146.214 flat angles C4'-P-C4' energy: -164.022 flat angles P-C4'-P energy: -104.233 tors. eta vs tors. theta energy: -163.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1811.394539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.394539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.394539 (E_RNA) where: Base-Base interactions energy: -1122.054 where: short stacking energy: -583.283 Base-Backbone interact. energy: -1.149 local terms energy: -688.191460 where: bonds (distance) C4'-P energy: -127.728 bonds (distance) P-C4' energy: -165.359 flat angles C4'-P-C4' energy: -155.878 flat angles P-C4'-P energy: -94.611 tors. eta vs tors. theta energy: -144.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1655.774242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.774242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.774242 (E_RNA) where: Base-Base interactions energy: -987.354 where: short stacking energy: -524.267 Base-Backbone interact. energy: 4.127 local terms energy: -672.547640 where: bonds (distance) C4'-P energy: -149.542 bonds (distance) P-C4' energy: -144.440 flat angles C4'-P-C4' energy: -147.038 flat angles P-C4'-P energy: -104.010 tors. eta vs tors. theta energy: -127.517 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: 4, replica: 1 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1607.746405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.746405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.746405 (E_RNA) where: Base-Base interactions energy: -966.137 where: short stacking energy: -488.975 Base-Backbone interact. energy: -2.852 local terms energy: -638.757374 where: bonds (distance) C4'-P energy: -152.453 bonds (distance) P-C4' energy: -130.494 flat angles C4'-P-C4' energy: -152.580 flat angles P-C4'-P energy: -103.255 tors. eta vs tors. theta energy: -99.975 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: 2 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1385.931110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.931110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.931110 (E_RNA) where: Base-Base interactions energy: -809.899 where: short stacking energy: -424.860 Base-Backbone interact. energy: -0.303 local terms energy: -575.728470 where: bonds (distance) C4'-P energy: -141.873 bonds (distance) P-C4' energy: -141.956 flat angles C4'-P-C4' energy: -128.979 flat angles P-C4'-P energy: -78.097 tors. eta vs tors. theta energy: -84.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1219.353708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.353708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.353708 (E_RNA) where: Base-Base interactions energy: -684.445 where: short stacking energy: -378.731 Base-Backbone interact. energy: -0.645 local terms energy: -534.263970 where: bonds (distance) C4'-P energy: -117.261 bonds (distance) P-C4' energy: -161.919 flat angles C4'-P-C4' energy: -103.906 flat angles P-C4'-P energy: -74.330 tors. eta vs tors. theta energy: -76.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1117.472629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.472629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.472629 (E_RNA) where: Base-Base interactions energy: -621.166 where: short stacking energy: -346.711 Base-Backbone interact. energy: -1.790 local terms energy: -494.516459 where: bonds (distance) C4'-P energy: -124.208 bonds (distance) P-C4' energy: -137.701 flat angles C4'-P-C4' energy: -117.715 flat angles P-C4'-P energy: -65.686 tors. eta vs tors. theta energy: -49.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -915.216960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.216960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.216960 (E_RNA) where: Base-Base interactions energy: -436.205 where: short stacking energy: -246.905 Base-Backbone interact. energy: 7.849 local terms energy: -486.861284 where: bonds (distance) C4'-P energy: -124.446 bonds (distance) P-C4' energy: -138.042 flat angles C4'-P-C4' energy: -128.135 flat angles P-C4'-P energy: -70.576 tors. eta vs tors. theta energy: -25.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -812.141923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.141923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.141923 (E_RNA) where: Base-Base interactions energy: -399.672 where: short stacking energy: -234.773 Base-Backbone interact. energy: -0.335 local terms energy: -412.135422 where: bonds (distance) C4'-P energy: -108.422 bonds (distance) P-C4' energy: -126.588 flat angles C4'-P-C4' energy: -127.061 flat angles P-C4'-P energy: -54.840 tors. eta vs tors. theta energy: 4.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -568.653744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.653744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.653744 (E_RNA) where: Base-Base interactions energy: -193.053 where: short stacking energy: -166.074 Base-Backbone interact. energy: 0.016 local terms energy: -375.616935 where: bonds (distance) C4'-P energy: -113.261 bonds (distance) P-C4' energy: -116.525 flat angles C4'-P-C4' energy: -117.740 flat angles P-C4'-P energy: -44.919 tors. eta vs tors. theta energy: 16.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1868.664185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.664185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.664185 (E_RNA) where: Base-Base interactions energy: -1145.814 where: short stacking energy: -643.747 Base-Backbone interact. energy: -2.411 local terms energy: -720.439507 where: bonds (distance) C4'-P energy: -138.282 bonds (distance) P-C4' energy: -157.939 flat angles C4'-P-C4' energy: -155.890 flat angles P-C4'-P energy: -104.774 tors. eta vs tors. theta energy: -163.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1933.458693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.458693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.458693 (E_RNA) where: Base-Base interactions energy: -1217.565 where: short stacking energy: -615.643 Base-Backbone interact. energy: -1.556 local terms energy: -714.337431 where: bonds (distance) C4'-P energy: -149.965 bonds (distance) P-C4' energy: -163.734 flat angles C4'-P-C4' energy: -152.529 flat angles P-C4'-P energy: -97.511 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: 9 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1692.815041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.815041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.815041 (E_RNA) where: Base-Base interactions energy: -1023.437 where: short stacking energy: -512.057 Base-Backbone interact. energy: 4.122 local terms energy: -673.499680 where: bonds (distance) C4'-P energy: -141.777 bonds (distance) P-C4' energy: -163.255 flat angles C4'-P-C4' energy: -155.203 flat angles P-C4'-P energy: -92.500 tors. eta vs tors. theta energy: -120.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1538.893970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.893970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.893970 (E_RNA) where: Base-Base interactions energy: -953.622 where: short stacking energy: -489.029 Base-Backbone interact. energy: -1.867 local terms energy: -583.404502 where: bonds (distance) C4'-P energy: -124.873 bonds (distance) P-C4' energy: -127.015 flat angles C4'-P-C4' energy: -133.318 flat angles P-C4'-P energy: -86.285 tors. eta vs tors. theta energy: -111.914 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: 5, replica: 2 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1455.813715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.813715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.813715 (E_RNA) where: Base-Base interactions energy: -852.563 where: short stacking energy: -453.474 Base-Backbone interact. energy: 0.508 local terms energy: -603.758315 where: bonds (distance) C4'-P energy: -128.081 bonds (distance) P-C4' energy: -142.688 flat angles C4'-P-C4' energy: -148.597 flat angles P-C4'-P energy: -83.833 tors. eta vs tors. theta energy: -100.560 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: 23 Temperature: 1.150000 Total energy: -1230.242081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.242081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.242081 (E_RNA) where: Base-Base interactions energy: -708.932 where: short stacking energy: -391.587 Base-Backbone interact. energy: -2.903 local terms energy: -518.407426 where: bonds (distance) C4'-P energy: -146.767 bonds (distance) P-C4' energy: -132.511 flat angles C4'-P-C4' energy: -107.225 flat angles P-C4'-P energy: -66.516 tors. eta vs tors. theta energy: -65.388 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: 3 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1051.722025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.722025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.722025 (E_RNA) where: Base-Base interactions energy: -553.664 where: short stacking energy: -323.954 Base-Backbone interact. energy: 2.915 local terms energy: -500.972674 where: bonds (distance) C4'-P energy: -113.511 bonds (distance) P-C4' energy: -149.498 flat angles C4'-P-C4' energy: -105.667 flat angles P-C4'-P energy: -86.893 tors. eta vs tors. theta energy: -45.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -846.015456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.015456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.015456 (E_RNA) where: Base-Base interactions energy: -409.929 where: short stacking energy: -265.503 Base-Backbone interact. energy: 5.570 local terms energy: -441.656371 where: bonds (distance) C4'-P energy: -112.218 bonds (distance) P-C4' energy: -127.939 flat angles C4'-P-C4' energy: -101.458 flat angles P-C4'-P energy: -75.779 tors. eta vs tors. theta energy: -24.261 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: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -790.556699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.556699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.556699 (E_RNA) where: Base-Base interactions energy: -385.914 where: short stacking energy: -217.438 Base-Backbone interact. energy: 0.411 local terms energy: -405.053812 where: bonds (distance) C4'-P energy: -113.867 bonds (distance) P-C4' energy: -127.735 flat angles C4'-P-C4' energy: -107.586 flat angles P-C4'-P energy: -58.286 tors. eta vs tors. theta energy: 2.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -599.487525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.487525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.487525 (E_RNA) where: Base-Base interactions energy: -217.842 where: short stacking energy: -181.500 Base-Backbone interact. energy: 1.482 local terms energy: -383.127251 where: bonds (distance) C4'-P energy: -125.432 bonds (distance) P-C4' energy: -114.163 flat angles C4'-P-C4' energy: -102.376 flat angles P-C4'-P energy: -55.943 tors. eta vs tors. theta energy: 14.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2015.334501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.334501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.334501 (E_RNA) where: Base-Base interactions energy: -1272.306 where: short stacking energy: -658.395 Base-Backbone interact. energy: 0.793 local terms energy: -743.822344 where: bonds (distance) C4'-P energy: -156.337 bonds (distance) P-C4' energy: -146.827 flat angles C4'-P-C4' energy: -163.429 flat angles P-C4'-P energy: -102.943 tors. eta vs tors. theta energy: -174.286 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: 6 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1778.254579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.254579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.254579 (E_RNA) where: Base-Base interactions energy: -1081.754 where: short stacking energy: -603.301 Base-Backbone interact. energy: 0.027 local terms energy: -696.527647 where: bonds (distance) C4'-P energy: -133.118 bonds (distance) P-C4' energy: -162.175 flat angles C4'-P-C4' energy: -160.632 flat angles P-C4'-P energy: -93.754 tors. eta vs tors. theta energy: -146.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1669.645438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.645438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.645438 (E_RNA) where: Base-Base interactions energy: -1045.015 where: short stacking energy: -528.382 Base-Backbone interact. energy: -1.130 local terms energy: -623.500385 where: bonds (distance) C4'-P energy: -138.228 bonds (distance) P-C4' energy: -135.532 flat angles C4'-P-C4' energy: -140.835 flat angles P-C4'-P energy: -92.688 tors. eta vs tors. theta energy: -116.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1597.641550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.641550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.641550 (E_RNA) where: Base-Base interactions energy: -971.525 where: short stacking energy: -490.841 Base-Backbone interact. energy: -0.220 local terms energy: -625.896583 where: bonds (distance) C4'-P energy: -140.774 bonds (distance) P-C4' energy: -135.677 flat angles C4'-P-C4' energy: -133.326 flat angles P-C4'-P energy: -95.353 tors. eta vs tors. theta energy: -120.766 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: 5, replica: 2 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1488.655504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.655504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.655504 (E_RNA) where: Base-Base interactions energy: -899.179 where: short stacking energy: -455.699 Base-Backbone interact. energy: -1.055 local terms energy: -588.421240 where: bonds (distance) C4'-P energy: -113.623 bonds (distance) P-C4' energy: -136.012 flat angles C4'-P-C4' energy: -143.520 flat angles P-C4'-P energy: -93.652 tors. eta vs tors. theta energy: -101.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1271.650517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.650517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.650517 (E_RNA) where: Base-Base interactions energy: -736.015 where: short stacking energy: -385.869 Base-Backbone interact. energy: 3.431 local terms energy: -539.066051 where: bonds (distance) C4'-P energy: -148.118 bonds (distance) P-C4' energy: -109.813 flat angles C4'-P-C4' energy: -123.438 flat angles P-C4'-P energy: -90.655 tors. eta vs tors. theta energy: -67.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1066.615442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.615442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.615442 (E_RNA) where: Base-Base interactions energy: -588.314 where: short stacking energy: -304.289 Base-Backbone interact. energy: -2.514 local terms energy: -475.788209 where: bonds (distance) C4'-P energy: -113.625 bonds (distance) P-C4' energy: -135.322 flat angles C4'-P-C4' energy: -124.518 flat angles P-C4'-P energy: -80.421 tors. eta vs tors. theta energy: -21.902 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: 8, replica: 5 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -882.662014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.662014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.662014 (E_RNA) where: Base-Base interactions energy: -416.239 where: short stacking energy: -250.546 Base-Backbone interact. energy: 0.358 local terms energy: -466.781316 where: bonds (distance) C4'-P energy: -111.940 bonds (distance) P-C4' energy: -134.174 flat angles C4'-P-C4' energy: -117.173 flat angles P-C4'-P energy: -83.331 tors. eta vs tors. theta energy: -20.163 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: 8 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -780.092108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.092108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.092108 (E_RNA) where: Base-Base interactions energy: -382.454 where: short stacking energy: -223.044 Base-Backbone interact. energy: 5.236 local terms energy: -402.873904 where: bonds (distance) C4'-P energy: -112.992 bonds (distance) P-C4' energy: -137.924 flat angles C4'-P-C4' energy: -96.580 flat angles P-C4'-P energy: -51.443 tors. eta vs tors. theta energy: -3.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -579.870324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.870324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.870324 (E_RNA) where: Base-Base interactions energy: -243.836 where: short stacking energy: -165.851 Base-Backbone interact. energy: 1.498 local terms energy: -337.532757 where: bonds (distance) C4'-P energy: -98.635 bonds (distance) P-C4' energy: -120.738 flat angles C4'-P-C4' energy: -86.271 flat angles P-C4'-P energy: -74.316 tors. eta vs tors. theta energy: 42.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1993.884618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.884618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.884618 (E_RNA) where: Base-Base interactions energy: -1298.977 where: short stacking energy: -680.814 Base-Backbone interact. energy: 2.440 local terms energy: -697.347326 where: bonds (distance) C4'-P energy: -150.256 bonds (distance) P-C4' energy: -143.872 flat angles C4'-P-C4' energy: -152.001 flat angles P-C4'-P energy: -89.464 tors. eta vs tors. theta energy: -161.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1786.989699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.989699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.989699 (E_RNA) where: Base-Base interactions energy: -1085.937 where: short stacking energy: -597.867 Base-Backbone interact. energy: -0.234 local terms energy: -700.817978 where: bonds (distance) C4'-P energy: -155.020 bonds (distance) P-C4' energy: -148.175 flat angles C4'-P-C4' energy: -165.239 flat angles P-C4'-P energy: -85.163 tors. eta vs tors. theta energy: -147.222 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: 9 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1677.451941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.451941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.451941 (E_RNA) where: Base-Base interactions energy: -1013.988 where: short stacking energy: -555.480 Base-Backbone interact. energy: -1.465 local terms energy: -661.998961 where: bonds (distance) C4'-P energy: -147.304 bonds (distance) P-C4' energy: -145.400 flat angles C4'-P-C4' energy: -147.253 flat angles P-C4'-P energy: -83.289 tors. eta vs tors. theta energy: -138.752 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: 1 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1647.491694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.491694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.491694 (E_RNA) where: Base-Base interactions energy: -1010.046 where: short stacking energy: -542.331 Base-Backbone interact. energy: 1.173 local terms energy: -638.618596 where: bonds (distance) C4'-P energy: -132.531 bonds (distance) P-C4' energy: -135.774 flat angles C4'-P-C4' energy: -137.466 flat angles P-C4'-P energy: -94.981 tors. eta vs tors. theta energy: -137.867 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: 2 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1462.206063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.206063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.206063 (E_RNA) where: Base-Base interactions energy: -881.145 where: short stacking energy: -446.687 Base-Backbone interact. energy: 1.402 local terms energy: -582.463163 where: bonds (distance) C4'-P energy: -127.867 bonds (distance) P-C4' energy: -122.971 flat angles C4'-P-C4' energy: -134.554 flat angles P-C4'-P energy: -104.610 tors. eta vs tors. theta energy: -92.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1326.366227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.366227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.366227 (E_RNA) where: Base-Base interactions energy: -776.382 where: short stacking energy: -410.640 Base-Backbone interact. energy: 2.972 local terms energy: -552.956375 where: bonds (distance) C4'-P energy: -138.018 bonds (distance) P-C4' energy: -133.482 flat angles C4'-P-C4' energy: -129.118 flat angles P-C4'-P energy: -80.956 tors. eta vs tors. theta energy: -71.382 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: 7, replica: 3 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1123.019690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.019690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.019690 (E_RNA) where: Base-Base interactions energy: -603.516 where: short stacking energy: -297.975 Base-Backbone interact. energy: -1.425 local terms energy: -518.079177 where: bonds (distance) C4'-P energy: -121.445 bonds (distance) P-C4' energy: -127.470 flat angles C4'-P-C4' energy: -135.892 flat angles P-C4'-P energy: -81.067 tors. eta vs tors. theta energy: -52.205 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: 5 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -890.357987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.357987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.357987 (E_RNA) where: Base-Base interactions energy: -439.910 where: short stacking energy: -251.437 Base-Backbone interact. energy: 8.507 local terms energy: -458.955459 where: bonds (distance) C4'-P energy: -115.452 bonds (distance) P-C4' energy: -117.674 flat angles C4'-P-C4' energy: -136.619 flat angles P-C4'-P energy: -70.879 tors. eta vs tors. theta energy: -18.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -753.175070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.175070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.175070 (E_RNA) where: Base-Base interactions energy: -364.361 where: short stacking energy: -216.895 Base-Backbone interact. energy: 4.223 local terms energy: -393.037096 where: bonds (distance) C4'-P energy: -102.596 bonds (distance) P-C4' energy: -129.259 flat angles C4'-P-C4' energy: -112.407 flat angles P-C4'-P energy: -67.928 tors. eta vs tors. theta energy: 19.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -649.499547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.499547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.499547 (E_RNA) where: Base-Base interactions energy: -266.201 where: short stacking energy: -185.691 Base-Backbone interact. energy: 11.157 local terms energy: -394.455134 where: bonds (distance) C4'-P energy: -109.992 bonds (distance) P-C4' energy: -128.657 flat angles C4'-P-C4' energy: -102.532 flat angles P-C4'-P energy: -61.941 tors. eta vs tors. theta energy: 8.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2001.062209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.062209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.062209 (E_RNA) where: Base-Base interactions energy: -1280.030 where: short stacking energy: -644.280 Base-Backbone interact. energy: -1.275 local terms energy: -719.757583 where: bonds (distance) C4'-P energy: -134.956 bonds (distance) P-C4' energy: -147.250 flat angles C4'-P-C4' energy: -164.312 flat angles P-C4'-P energy: -110.853 tors. eta vs tors. theta energy: -162.388 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: 6 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1807.649551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.649551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.649551 (E_RNA) where: Base-Base interactions energy: -1101.644 where: short stacking energy: -584.117 Base-Backbone interact. energy: 3.376 local terms energy: -709.382139 where: bonds (distance) C4'-P energy: -128.721 bonds (distance) P-C4' energy: -150.867 flat angles C4'-P-C4' energy: -162.169 flat angles P-C4'-P energy: -108.096 tors. eta vs tors. theta energy: -159.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1741.248958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.248958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.248958 (E_RNA) where: Base-Base interactions energy: -1074.656 where: short stacking energy: -554.597 Base-Backbone interact. energy: -3.155 local terms energy: -663.438108 where: bonds (distance) C4'-P energy: -138.719 bonds (distance) P-C4' energy: -144.178 flat angles C4'-P-C4' energy: -145.125 flat angles P-C4'-P energy: -90.081 tors. eta vs tors. theta energy: -145.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1670.391920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.391920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.391920 (E_RNA) where: Base-Base interactions energy: -1025.146 where: short stacking energy: -495.541 Base-Backbone interact. energy: 5.973 local terms energy: -651.218286 where: bonds (distance) C4'-P energy: -131.260 bonds (distance) P-C4' energy: -145.190 flat angles C4'-P-C4' energy: -150.642 flat angles P-C4'-P energy: -103.434 tors. eta vs tors. theta energy: -120.692 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: 2 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1528.303681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.303681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.303681 (E_RNA) where: Base-Base interactions energy: -900.704 where: short stacking energy: -413.415 Base-Backbone interact. energy: -0.396 local terms energy: -627.203366 where: bonds (distance) C4'-P energy: -145.840 bonds (distance) P-C4' energy: -141.981 flat angles C4'-P-C4' energy: -147.451 flat angles P-C4'-P energy: -104.211 tors. eta vs tors. theta energy: -87.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1300.459730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.459730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.459730 (E_RNA) where: Base-Base interactions energy: -771.650 where: short stacking energy: -415.266 Base-Backbone interact. energy: -1.415 local terms energy: -527.395390 where: bonds (distance) C4'-P energy: -125.658 bonds (distance) P-C4' energy: -132.515 flat angles C4'-P-C4' energy: -114.769 flat angles P-C4'-P energy: -84.614 tors. eta vs tors. theta energy: -69.839 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: 3 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1128.317149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.317149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.317149 (E_RNA) where: Base-Base interactions energy: -680.084 where: short stacking energy: -324.349 Base-Backbone interact. energy: -3.742 local terms energy: -444.490586 where: bonds (distance) C4'-P energy: -96.861 bonds (distance) P-C4' energy: -119.002 flat angles C4'-P-C4' energy: -122.472 flat angles P-C4'-P energy: -75.002 tors. eta vs tors. theta energy: -31.155 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: 5 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -945.075972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.075972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.075972 (E_RNA) where: Base-Base interactions energy: -497.727 where: short stacking energy: -285.111 Base-Backbone interact. energy: -0.967 local terms energy: -446.381269 where: bonds (distance) C4'-P energy: -133.605 bonds (distance) P-C4' energy: -139.504 flat angles C4'-P-C4' energy: -104.669 flat angles P-C4'-P energy: -64.286 tors. eta vs tors. theta energy: -4.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -882.121712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.121712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.121712 (E_RNA) where: Base-Base interactions energy: -479.917 where: short stacking energy: -249.060 Base-Backbone interact. energy: -2.223 local terms energy: -399.982446 where: bonds (distance) C4'-P energy: -109.423 bonds (distance) P-C4' energy: -129.726 flat angles C4'-P-C4' energy: -96.728 flat angles P-C4'-P energy: -62.574 tors. eta vs tors. theta energy: -1.531 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: 26 Temperature: 1.350000 Total energy: -671.446205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.446205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.446205 (E_RNA) where: Base-Base interactions energy: -273.946 where: short stacking energy: -196.608 Base-Backbone interact. energy: -2.895 local terms energy: -394.605167 where: bonds (distance) C4'-P energy: -112.095 bonds (distance) P-C4' energy: -108.957 flat angles C4'-P-C4' energy: -116.390 flat angles P-C4'-P energy: -68.441 tors. eta vs tors. theta energy: 11.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2015.179155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.179155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.179155 (E_RNA) where: Base-Base interactions energy: -1300.633 where: short stacking energy: -638.955 Base-Backbone interact. energy: -3.764 local terms energy: -710.782134 where: bonds (distance) C4'-P energy: -145.472 bonds (distance) P-C4' energy: -160.300 flat angles C4'-P-C4' energy: -153.567 flat angles P-C4'-P energy: -90.465 tors. eta vs tors. theta energy: -160.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1835.609450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.609450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.609450 (E_RNA) where: Base-Base interactions energy: -1109.790 where: short stacking energy: -606.731 Base-Backbone interact. energy: -0.854 local terms energy: -724.965536 where: bonds (distance) C4'-P energy: -141.698 bonds (distance) P-C4' energy: -151.090 flat angles C4'-P-C4' energy: -167.064 flat angles P-C4'-P energy: -103.463 tors. eta vs tors. theta energy: -161.650 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: 9 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1771.508292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.508292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.508292 (E_RNA) where: Base-Base interactions energy: -1098.847 where: short stacking energy: -557.612 Base-Backbone interact. energy: 7.174 local terms energy: -679.835549 where: bonds (distance) C4'-P energy: -141.312 bonds (distance) P-C4' energy: -144.228 flat angles C4'-P-C4' energy: -163.853 flat angles P-C4'-P energy: -77.904 tors. eta vs tors. theta energy: -152.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1710.504176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.504176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.504176 (E_RNA) where: Base-Base interactions energy: -1062.168 where: short stacking energy: -534.483 Base-Backbone interact. energy: -1.292 local terms energy: -647.044754 where: bonds (distance) C4'-P energy: -122.782 bonds (distance) P-C4' energy: -148.657 flat angles C4'-P-C4' energy: -157.857 flat angles P-C4'-P energy: -80.608 tors. eta vs tors. theta energy: -137.141 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: 2 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1540.056053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.056053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.056053 (E_RNA) where: Base-Base interactions energy: -966.186 where: short stacking energy: -464.876 Base-Backbone interact. energy: -1.162 local terms energy: -572.707640 where: bonds (distance) C4'-P energy: -122.973 bonds (distance) P-C4' energy: -143.011 flat angles C4'-P-C4' energy: -124.777 flat angles P-C4'-P energy: -71.542 tors. eta vs tors. theta energy: -110.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1383.795352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.795352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.795352 (E_RNA) where: Base-Base interactions energy: -828.611 where: short stacking energy: -421.204 Base-Backbone interact. energy: 0.529 local terms energy: -555.712766 where: bonds (distance) C4'-P energy: -123.916 bonds (distance) P-C4' energy: -121.390 flat angles C4'-P-C4' energy: -134.031 flat angles P-C4'-P energy: -90.696 tors. eta vs tors. theta energy: -85.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1112.783741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.783741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.783741 (E_RNA) where: Base-Base interactions energy: -606.879 where: short stacking energy: -336.378 Base-Backbone interact. energy: -1.407 local terms energy: -504.497768 where: bonds (distance) C4'-P energy: -134.208 bonds (distance) P-C4' energy: -126.206 flat angles C4'-P-C4' energy: -138.383 flat angles P-C4'-P energy: -70.787 tors. eta vs tors. theta energy: -34.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -974.154049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.154049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.154049 (E_RNA) where: Base-Base interactions energy: -514.966 where: short stacking energy: -310.351 Base-Backbone interact. energy: 6.337 local terms energy: -465.525150 where: bonds (distance) C4'-P energy: -114.252 bonds (distance) P-C4' energy: -136.666 flat angles C4'-P-C4' energy: -107.563 flat angles P-C4'-P energy: -74.117 tors. eta vs tors. theta energy: -32.927 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: 9, replica: 5 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -829.112182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.112182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.112182 (E_RNA) where: Base-Base interactions energy: -398.042 where: short stacking energy: -253.248 Base-Backbone interact. energy: -1.560 local terms energy: -429.510931 where: bonds (distance) C4'-P energy: -131.000 bonds (distance) P-C4' energy: -137.949 flat angles C4'-P-C4' energy: -90.515 flat angles P-C4'-P energy: -69.156 tors. eta vs tors. theta energy: -0.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -638.727452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.727452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.727452 (E_RNA) where: Base-Base interactions energy: -240.809 where: short stacking energy: -151.209 Base-Backbone interact. energy: 2.478 local terms energy: -400.396579 where: bonds (distance) C4'-P energy: -112.487 bonds (distance) P-C4' energy: -130.653 flat angles C4'-P-C4' energy: -112.147 flat angles P-C4'-P energy: -63.795 tors. eta vs tors. theta energy: 18.685 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: 7 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2070.484565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.484565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.484565 (E_RNA) where: Base-Base interactions energy: -1340.474 where: short stacking energy: -655.278 Base-Backbone interact. energy: -4.162 local terms energy: -725.848201 where: bonds (distance) C4'-P energy: -144.633 bonds (distance) P-C4' energy: -151.177 flat angles C4'-P-C4' energy: -161.999 flat angles P-C4'-P energy: -96.790 tors. eta vs tors. theta energy: -171.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1851.835002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.835002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.835002 (E_RNA) where: Base-Base interactions energy: -1137.842 where: short stacking energy: -606.248 Base-Backbone interact. energy: -2.929 local terms energy: -711.063329 where: bonds (distance) C4'-P energy: -145.255 bonds (distance) P-C4' energy: -154.641 flat angles C4'-P-C4' energy: -144.867 flat angles P-C4'-P energy: -110.850 tors. eta vs tors. theta energy: -155.450 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: 9 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1813.658960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.658960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.658960 (E_RNA) where: Base-Base interactions energy: -1157.993 where: short stacking energy: -591.821 Base-Backbone interact. energy: -4.705 local terms energy: -650.960716 where: bonds (distance) C4'-P energy: -146.518 bonds (distance) P-C4' energy: -130.483 flat angles C4'-P-C4' energy: -156.140 flat angles P-C4'-P energy: -74.204 tors. eta vs tors. theta energy: -143.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1748.550130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.550130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.550130 (E_RNA) where: Base-Base interactions energy: -1089.439 where: short stacking energy: -525.543 Base-Backbone interact. energy: -0.827 local terms energy: -658.284073 where: bonds (distance) C4'-P energy: -122.296 bonds (distance) P-C4' energy: -158.951 flat angles C4'-P-C4' energy: -131.418 flat angles P-C4'-P energy: -102.073 tors. eta vs tors. theta energy: -143.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1514.850844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.850844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.850844 (E_RNA) where: Base-Base interactions energy: -946.462 where: short stacking energy: -435.396 Base-Backbone interact. energy: -1.847 local terms energy: -566.542315 where: bonds (distance) C4'-P energy: -128.777 bonds (distance) P-C4' energy: -123.353 flat angles C4'-P-C4' energy: -133.058 flat angles P-C4'-P energy: -88.069 tors. eta vs tors. theta energy: -93.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1436.914822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.914822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.914822 (E_RNA) where: Base-Base interactions energy: -893.639 where: short stacking energy: -408.706 Base-Backbone interact. energy: -0.778 local terms energy: -542.498373 where: bonds (distance) C4'-P energy: -114.703 bonds (distance) P-C4' energy: -130.489 flat angles C4'-P-C4' energy: -130.910 flat angles P-C4'-P energy: -100.032 tors. eta vs tors. theta energy: -66.364 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: 3 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1161.529170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.529170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.529170 (E_RNA) where: Base-Base interactions energy: -651.108 where: short stacking energy: -329.731 Base-Backbone interact. energy: 1.477 local terms energy: -511.898835 where: bonds (distance) C4'-P energy: -124.168 bonds (distance) P-C4' energy: -141.592 flat angles C4'-P-C4' energy: -124.824 flat angles P-C4'-P energy: -82.588 tors. eta vs tors. theta energy: -38.727 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: 8 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1072.249220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.249220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.249220 (E_RNA) where: Base-Base interactions energy: -618.627 where: short stacking energy: -336.579 Base-Backbone interact. energy: -2.635 local terms energy: -450.987463 where: bonds (distance) C4'-P energy: -119.424 bonds (distance) P-C4' energy: -113.624 flat angles C4'-P-C4' energy: -103.083 flat angles P-C4'-P energy: -68.062 tors. eta vs tors. theta energy: -46.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -881.961525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.961525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.961525 (E_RNA) where: Base-Base interactions energy: -426.990 where: short stacking energy: -256.686 Base-Backbone interact. energy: 1.762 local terms energy: -456.734136 where: bonds (distance) C4'-P energy: -99.571 bonds (distance) P-C4' energy: -140.247 flat angles C4'-P-C4' energy: -122.458 flat angles P-C4'-P energy: -66.748 tors. eta vs tors. theta energy: -27.710 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: 28 Temperature: 1.350000 Total energy: -628.855470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.855470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.855470 (E_RNA) where: Base-Base interactions energy: -274.919 where: short stacking energy: -184.426 Base-Backbone interact. energy: 1.798 local terms energy: -355.734234 where: bonds (distance) C4'-P energy: -107.029 bonds (distance) P-C4' energy: -109.606 flat angles C4'-P-C4' energy: -95.243 flat angles P-C4'-P energy: -55.454 tors. eta vs tors. theta energy: 11.597 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: 7 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2099.073813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.073813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.073813 (E_RNA) where: Base-Base interactions energy: -1343.231 where: short stacking energy: -650.290 Base-Backbone interact. energy: -1.206 local terms energy: -754.635912 where: bonds (distance) C4'-P energy: -163.349 bonds (distance) P-C4' energy: -147.462 flat angles C4'-P-C4' energy: -160.601 flat angles P-C4'-P energy: -107.655 tors. eta vs tors. theta energy: -175.568 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: 9 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1853.923065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.923065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.923065 (E_RNA) where: Base-Base interactions energy: -1145.841 where: short stacking energy: -594.710 Base-Backbone interact. energy: -2.755 local terms energy: -705.326849 where: bonds (distance) C4'-P energy: -141.173 bonds (distance) P-C4' energy: -163.511 flat angles C4'-P-C4' energy: -150.668 flat angles P-C4'-P energy: -98.656 tors. eta vs tors. theta energy: -151.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1791.490565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.490565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.490565 (E_RNA) where: Base-Base interactions energy: -1095.852 where: short stacking energy: -588.900 Base-Backbone interact. energy: -2.151 local terms energy: -693.487732 where: bonds (distance) C4'-P energy: -148.377 bonds (distance) P-C4' energy: -139.122 flat angles C4'-P-C4' energy: -145.298 flat angles P-C4'-P energy: -100.302 tors. eta vs tors. theta energy: -160.388 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: 4, replica: 1 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1838.044386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.044386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.044386 (E_RNA) where: Base-Base interactions energy: -1169.837 where: short stacking energy: -563.563 Base-Backbone interact. energy: -2.193 local terms energy: -666.014629 where: bonds (distance) C4'-P energy: -128.921 bonds (distance) P-C4' energy: -174.033 flat angles C4'-P-C4' energy: -125.661 flat angles P-C4'-P energy: -103.428 tors. eta vs tors. theta energy: -133.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1551.212435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.212435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.212435 (E_RNA) where: Base-Base interactions energy: -976.073 where: short stacking energy: -467.955 Base-Backbone interact. energy: 0.231 local terms energy: -575.370681 where: bonds (distance) C4'-P energy: -132.633 bonds (distance) P-C4' energy: -111.399 flat angles C4'-P-C4' energy: -136.809 flat angles P-C4'-P energy: -82.466 tors. eta vs tors. theta energy: -112.064 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: 10 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1567.130198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.130198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.130198 (E_RNA) where: Base-Base interactions energy: -960.377 where: short stacking energy: -441.634 Base-Backbone interact. energy: -3.058 local terms energy: -603.695384 where: bonds (distance) C4'-P energy: -127.413 bonds (distance) P-C4' energy: -150.450 flat angles C4'-P-C4' energy: -132.746 flat angles P-C4'-P energy: -92.359 tors. eta vs tors. theta energy: -100.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1243.936576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.936576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.936576 (E_RNA) where: Base-Base interactions energy: -711.813 where: short stacking energy: -349.316 Base-Backbone interact. energy: 2.842 local terms energy: -534.965497 where: bonds (distance) C4'-P energy: -114.115 bonds (distance) P-C4' energy: -132.641 flat angles C4'-P-C4' energy: -129.218 flat angles P-C4'-P energy: -85.940 tors. eta vs tors. theta energy: -73.052 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: 29 Temperature: 1.250000 Total energy: -1188.262115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.262115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.262115 (E_RNA) where: Base-Base interactions energy: -708.155 where: short stacking energy: -353.555 Base-Backbone interact. energy: 0.913 local terms energy: -481.020438 where: bonds (distance) C4'-P energy: -110.535 bonds (distance) P-C4' energy: -106.080 flat angles C4'-P-C4' energy: -131.781 flat angles P-C4'-P energy: -78.021 tors. eta vs tors. theta energy: -54.603 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: 9, replica: 5 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -904.841887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.841887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.841887 (E_RNA) where: Base-Base interactions energy: -448.010 where: short stacking energy: -266.353 Base-Backbone interact. energy: 1.016 local terms energy: -457.848308 where: bonds (distance) C4'-P energy: -134.422 bonds (distance) P-C4' energy: -116.834 flat angles C4'-P-C4' energy: -121.166 flat angles P-C4'-P energy: -67.916 tors. eta vs tors. theta energy: -17.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -686.204513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.204513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.204513 (E_RNA) where: Base-Base interactions energy: -320.248 where: short stacking energy: -224.456 Base-Backbone interact. energy: 4.086 local terms energy: -370.043041 where: bonds (distance) C4'-P energy: -104.050 bonds (distance) P-C4' energy: -127.699 flat angles C4'-P-C4' energy: -87.772 flat angles P-C4'-P energy: -49.714 tors. eta vs tors. theta energy: -0.807 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: 7 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2078.282033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.282033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.282033 (E_RNA) where: Base-Base interactions energy: -1358.110 where: short stacking energy: -663.267 Base-Backbone interact. energy: -3.068 local terms energy: -717.103405 where: bonds (distance) C4'-P energy: -153.714 bonds (distance) P-C4' energy: -138.884 flat angles C4'-P-C4' energy: -148.859 flat angles P-C4'-P energy: -105.027 tors. eta vs tors. theta energy: -170.619 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: 9 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1910.195508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.195508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.195508 (E_RNA) where: Base-Base interactions energy: -1208.957 where: short stacking energy: -638.264 Base-Backbone interact. energy: -1.907 local terms energy: -699.331404 where: bonds (distance) C4'-P energy: -141.686 bonds (distance) P-C4' energy: -132.382 flat angles C4'-P-C4' energy: -156.698 flat angles P-C4'-P energy: -106.292 tors. eta vs tors. theta energy: -162.274 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: 6 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1785.248021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.248021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.248021 (E_RNA) where: Base-Base interactions energy: -1138.944 where: short stacking energy: -536.802 Base-Backbone interact. energy: -2.235 local terms energy: -644.069068 where: bonds (distance) C4'-P energy: -133.730 bonds (distance) P-C4' energy: -141.753 flat angles C4'-P-C4' energy: -153.606 flat angles P-C4'-P energy: -91.009 tors. eta vs tors. theta energy: -123.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1793.268463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.268463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.268463 (E_RNA) where: Base-Base interactions energy: -1172.198 where: short stacking energy: -558.818 Base-Backbone interact. energy: 2.373 local terms energy: -623.443855 where: bonds (distance) C4'-P energy: -123.713 bonds (distance) P-C4' energy: -125.860 flat angles C4'-P-C4' energy: -145.750 flat angles P-C4'-P energy: -85.945 tors. eta vs tors. theta energy: -142.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1534.398551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.398551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.398551 (E_RNA) where: Base-Base interactions energy: -925.211 where: short stacking energy: -459.285 Base-Backbone interact. energy: -0.172 local terms energy: -609.015469 where: bonds (distance) C4'-P energy: -119.251 bonds (distance) P-C4' energy: -140.906 flat angles C4'-P-C4' energy: -150.268 flat angles P-C4'-P energy: -91.409 tors. eta vs tors. theta energy: -107.181 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: 6, replica: 10 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1625.751150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.751150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.751150 (E_RNA) where: Base-Base interactions energy: -1043.731 where: short stacking energy: -479.609 Base-Backbone interact. energy: 0.522 local terms energy: -582.542278 where: bonds (distance) C4'-P energy: -117.814 bonds (distance) P-C4' energy: -122.119 flat angles C4'-P-C4' energy: -153.864 flat angles P-C4'-P energy: -78.665 tors. eta vs tors. theta energy: -110.079 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: 3 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1233.914819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.914819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.914819 (E_RNA) where: Base-Base interactions energy: -734.456 where: short stacking energy: -365.442 Base-Backbone interact. energy: 6.827 local terms energy: -506.285872 where: bonds (distance) C4'-P energy: -120.660 bonds (distance) P-C4' energy: -120.917 flat angles C4'-P-C4' energy: -129.253 flat angles P-C4'-P energy: -74.827 tors. eta vs tors. theta energy: -60.630 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: 8 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1179.270867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.270867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.270867 (E_RNA) where: Base-Base interactions energy: -685.663 where: short stacking energy: -361.765 Base-Backbone interact. energy: 0.173 local terms energy: -493.780926 where: bonds (distance) C4'-P energy: -133.909 bonds (distance) P-C4' energy: -118.527 flat angles C4'-P-C4' energy: -114.237 flat angles P-C4'-P energy: -67.186 tors. eta vs tors. theta energy: -59.922 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: 5 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -847.968671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.968671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.968671 (E_RNA) where: Base-Base interactions energy: -428.825 where: short stacking energy: -223.703 Base-Backbone interact. energy: 3.596 local terms energy: -422.739883 where: bonds (distance) C4'-P energy: -117.864 bonds (distance) P-C4' energy: -126.478 flat angles C4'-P-C4' energy: -106.697 flat angles P-C4'-P energy: -64.804 tors. eta vs tors. theta energy: -6.898 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: 30 Temperature: 1.350000 Total energy: -711.983079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.983079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.983079 (E_RNA) where: Base-Base interactions energy: -318.959 where: short stacking energy: -173.650 Base-Backbone interact. energy: -0.068 local terms energy: -392.955640 where: bonds (distance) C4'-P energy: -142.231 bonds (distance) P-C4' energy: -113.202 flat angles C4'-P-C4' energy: -113.964 flat angles P-C4'-P energy: -49.209 tors. eta vs tors. theta energy: 25.651 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: 1, replica: 7 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2121.288740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.288740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.288740 (E_RNA) where: Base-Base interactions energy: -1384.705 where: short stacking energy: -672.372 Base-Backbone interact. energy: 1.568 local terms energy: -738.151228 where: bonds (distance) C4'-P energy: -146.242 bonds (distance) P-C4' energy: -152.236 flat angles C4'-P-C4' energy: -151.668 flat angles P-C4'-P energy: -110.502 tors. eta vs tors. theta energy: -177.503 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: 9 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1881.240472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.240472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.240472 (E_RNA) where: Base-Base interactions energy: -1163.608 where: short stacking energy: -607.458 Base-Backbone interact. energy: -2.769 local terms energy: -714.863867 where: bonds (distance) C4'-P energy: -141.641 bonds (distance) P-C4' energy: -152.772 flat angles C4'-P-C4' energy: -168.425 flat angles P-C4'-P energy: -98.449 tors. eta vs tors. theta energy: -153.577 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: 6 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1802.776542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.776542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.776542 (E_RNA) where: Base-Base interactions energy: -1144.636 where: short stacking energy: -543.290 Base-Backbone interact. energy: -0.633 local terms energy: -657.507578 where: bonds (distance) C4'-P energy: -142.975 bonds (distance) P-C4' energy: -132.091 flat angles C4'-P-C4' energy: -147.569 flat angles P-C4'-P energy: -96.407 tors. eta vs tors. theta energy: -138.465 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: 1 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1896.449242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.449242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.449242 (E_RNA) where: Base-Base interactions energy: -1252.080 where: short stacking energy: -557.753 Base-Backbone interact. energy: -2.253 local terms energy: -642.116776 where: bonds (distance) C4'-P energy: -140.639 bonds (distance) P-C4' energy: -129.548 flat angles C4'-P-C4' energy: -138.612 flat angles P-C4'-P energy: -93.145 tors. eta vs tors. theta energy: -140.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1506.588636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.588636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.588636 (E_RNA) where: Base-Base interactions energy: -913.711 where: short stacking energy: -456.789 Base-Backbone interact. energy: 1.532 local terms energy: -594.409252 where: bonds (distance) C4'-P energy: -130.924 bonds (distance) P-C4' energy: -133.326 flat angles C4'-P-C4' energy: -128.072 flat angles P-C4'-P energy: -87.365 tors. eta vs tors. theta energy: -114.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1588.272080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.272080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.272080 (E_RNA) where: Base-Base interactions energy: -997.453 where: short stacking energy: -461.368 Base-Backbone interact. energy: -0.836 local terms energy: -589.983295 where: bonds (distance) C4'-P energy: -125.267 bonds (distance) P-C4' energy: -140.859 flat angles C4'-P-C4' energy: -133.444 flat angles P-C4'-P energy: -94.116 tors. eta vs tors. theta energy: -96.297 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: 3 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1309.665084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.665084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.665084 (E_RNA) where: Base-Base interactions energy: -829.874 where: short stacking energy: -364.150 Base-Backbone interact. energy: -1.309 local terms energy: -478.481713 where: bonds (distance) C4'-P energy: -108.290 bonds (distance) P-C4' energy: -130.132 flat angles C4'-P-C4' energy: -116.140 flat angles P-C4'-P energy: -60.973 tors. eta vs tors. theta energy: -62.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1158.347868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.347868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.347868 (E_RNA) where: Base-Base interactions energy: -683.409 where: short stacking energy: -324.272 Base-Backbone interact. energy: -2.507 local terms energy: -472.431910 where: bonds (distance) C4'-P energy: -113.752 bonds (distance) P-C4' energy: -135.678 flat angles C4'-P-C4' energy: -112.170 flat angles P-C4'-P energy: -69.720 tors. eta vs tors. theta energy: -41.112 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: 5 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -840.077885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.077885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.077885 (E_RNA) where: Base-Base interactions energy: -429.678 where: short stacking energy: -275.648 Base-Backbone interact. energy: 1.583 local terms energy: -411.982534 where: bonds (distance) C4'-P energy: -108.229 bonds (distance) P-C4' energy: -145.960 flat angles C4'-P-C4' energy: -103.689 flat angles P-C4'-P energy: -49.749 tors. eta vs tors. theta energy: -4.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -798.006898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.006898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.006898 (E_RNA) where: Base-Base interactions energy: -397.578 where: short stacking energy: -211.377 Base-Backbone interact. energy: 3.443 local terms energy: -403.871923 where: bonds (distance) C4'-P energy: -122.450 bonds (distance) P-C4' energy: -130.564 flat angles C4'-P-C4' energy: -104.224 flat angles P-C4'-P energy: -54.992 tors. eta vs tors. theta energy: 8.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2106.409485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.409485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.409485 (E_RNA) where: Base-Base interactions energy: -1367.291 where: short stacking energy: -665.718 Base-Backbone interact. energy: -2.570 local terms energy: -736.548500 where: bonds (distance) C4'-P energy: -161.920 bonds (distance) P-C4' energy: -148.057 flat angles C4'-P-C4' energy: -151.670 flat angles P-C4'-P energy: -101.948 tors. eta vs tors. theta energy: -172.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1847.284688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.284688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.284688 (E_RNA) where: Base-Base interactions energy: -1158.093 where: short stacking energy: -553.490 Base-Backbone interact. energy: -3.336 local terms energy: -685.855046 where: bonds (distance) C4'-P energy: -136.947 bonds (distance) P-C4' energy: -149.545 flat angles C4'-P-C4' energy: -146.476 flat angles P-C4'-P energy: -109.476 tors. eta vs tors. theta energy: -143.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1991.908276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.908276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.908276 (E_RNA) where: Base-Base interactions energy: -1284.592 where: short stacking energy: -622.547 Base-Backbone interact. energy: -0.507 local terms energy: -706.809571 where: bonds (distance) C4'-P energy: -141.568 bonds (distance) P-C4' energy: -152.873 flat angles C4'-P-C4' energy: -144.297 flat angles P-C4'-P energy: -103.101 tors. eta vs tors. theta energy: -164.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1770.694955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.694955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.694955 (E_RNA) where: Base-Base interactions energy: -1135.840 where: short stacking energy: -567.924 Base-Backbone interact. energy: -3.243 local terms energy: -631.611605 where: bonds (distance) C4'-P energy: -122.548 bonds (distance) P-C4' energy: -128.301 flat angles C4'-P-C4' energy: -154.357 flat angles P-C4'-P energy: -85.365 tors. eta vs tors. theta energy: -141.040 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: 10 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1702.374894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.374894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.374894 (E_RNA) where: Base-Base interactions energy: -1056.602 where: short stacking energy: -508.968 Base-Backbone interact. energy: -1.095 local terms energy: -644.678203 where: bonds (distance) C4'-P energy: -142.961 bonds (distance) P-C4' energy: -150.073 flat angles C4'-P-C4' energy: -142.863 flat angles P-C4'-P energy: -83.416 tors. eta vs tors. theta energy: -125.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1463.491577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.491577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.491577 (E_RNA) where: Base-Base interactions energy: -932.770 where: short stacking energy: -467.976 Base-Backbone interact. energy: 3.158 local terms energy: -533.878935 where: bonds (distance) C4'-P energy: -132.924 bonds (distance) P-C4' energy: -131.524 flat angles C4'-P-C4' energy: -124.156 flat angles P-C4'-P energy: -51.134 tors. eta vs tors. theta energy: -94.141 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: 3 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1347.444699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.444699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.444699 (E_RNA) where: Base-Base interactions energy: -800.611 where: short stacking energy: -363.075 Base-Backbone interact. energy: -2.798 local terms energy: -544.035218 where: bonds (distance) C4'-P energy: -118.135 bonds (distance) P-C4' energy: -125.231 flat angles C4'-P-C4' energy: -154.797 flat angles P-C4'-P energy: -90.975 tors. eta vs tors. theta energy: -54.898 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: 8 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1223.404301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.404301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.404301 (E_RNA) where: Base-Base interactions energy: -739.355 where: short stacking energy: -368.356 Base-Backbone interact. energy: -4.809 local terms energy: -479.240821 where: bonds (distance) C4'-P energy: -113.168 bonds (distance) P-C4' energy: -124.465 flat angles C4'-P-C4' energy: -118.753 flat angles P-C4'-P energy: -64.507 tors. eta vs tors. theta energy: -58.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -964.476283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.476283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.476283 (E_RNA) where: Base-Base interactions energy: -519.191 where: short stacking energy: -274.438 Base-Backbone interact. energy: -0.469 local terms energy: -444.816536 where: bonds (distance) C4'-P energy: -117.093 bonds (distance) P-C4' energy: -130.946 flat angles C4'-P-C4' energy: -102.029 flat angles P-C4'-P energy: -76.763 tors. eta vs tors. theta energy: -17.985 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: 5 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -729.581732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.581732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.581732 (E_RNA) where: Base-Base interactions energy: -307.487 where: short stacking energy: -190.653 Base-Backbone interact. energy: 0.603 local terms energy: -422.697697 where: bonds (distance) C4'-P energy: -127.111 bonds (distance) P-C4' energy: -129.229 flat angles C4'-P-C4' energy: -117.578 flat angles P-C4'-P energy: -60.186 tors. eta vs tors. theta energy: 11.406 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: 7 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2117.167114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.167114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.167114 (E_RNA) where: Base-Base interactions energy: -1408.602 where: short stacking energy: -661.164 Base-Backbone interact. energy: 0.171 local terms energy: -708.735866 where: bonds (distance) C4'-P energy: -136.079 bonds (distance) P-C4' energy: -147.710 flat angles C4'-P-C4' energy: -168.180 flat angles P-C4'-P energy: -90.007 tors. eta vs tors. theta energy: -166.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2083.546762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.546762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.546762 (E_RNA) where: Base-Base interactions energy: -1337.401 where: short stacking energy: -663.500 Base-Backbone interact. energy: -4.118 local terms energy: -742.027913 where: bonds (distance) C4'-P energy: -140.177 bonds (distance) P-C4' energy: -148.302 flat angles C4'-P-C4' energy: -170.571 flat angles P-C4'-P energy: -113.312 tors. eta vs tors. theta energy: -169.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1819.030307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.030307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.030307 (E_RNA) where: Base-Base interactions energy: -1144.602 where: short stacking energy: -566.740 Base-Backbone interact. energy: -2.589 local terms energy: -671.839647 where: bonds (distance) C4'-P energy: -142.806 bonds (distance) P-C4' energy: -138.887 flat angles C4'-P-C4' energy: -145.065 flat angles P-C4'-P energy: -102.187 tors. eta vs tors. theta energy: -142.893 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: 10 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1795.510351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.510351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.510351 (E_RNA) where: Base-Base interactions energy: -1151.870 where: short stacking energy: -544.941 Base-Backbone interact. energy: -0.989 local terms energy: -642.651983 where: bonds (distance) C4'-P energy: -124.861 bonds (distance) P-C4' energy: -152.319 flat angles C4'-P-C4' energy: -150.051 flat angles P-C4'-P energy: -90.912 tors. eta vs tors. theta energy: -124.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1598.277484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.277484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.277484 (E_RNA) where: Base-Base interactions energy: -981.868 where: short stacking energy: -468.546 Base-Backbone interact. energy: -0.900 local terms energy: -615.509043 where: bonds (distance) C4'-P energy: -117.692 bonds (distance) P-C4' energy: -143.818 flat angles C4'-P-C4' energy: -151.309 flat angles P-C4'-P energy: -99.291 tors. eta vs tors. theta energy: -103.398 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: 2 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1395.665404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.665404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.665404 (E_RNA) where: Base-Base interactions energy: -837.346 where: short stacking energy: -421.185 Base-Backbone interact. energy: 1.389 local terms energy: -559.708316 where: bonds (distance) C4'-P energy: -130.973 bonds (distance) P-C4' energy: -124.483 flat angles C4'-P-C4' energy: -155.877 flat angles P-C4'-P energy: -64.446 tors. eta vs tors. theta energy: -83.930 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: 7, replica: 3 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1363.289278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.289278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.289278 (E_RNA) where: Base-Base interactions energy: -863.246 where: short stacking energy: -392.214 Base-Backbone interact. energy: 5.280 local terms energy: -505.323559 where: bonds (distance) C4'-P energy: -129.632 bonds (distance) P-C4' energy: -128.205 flat angles C4'-P-C4' energy: -120.697 flat angles P-C4'-P energy: -55.172 tors. eta vs tors. theta energy: -71.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1266.295973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.295973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.295973 (E_RNA) where: Base-Base interactions energy: -772.469 where: short stacking energy: -385.927 Base-Backbone interact. energy: 7.311 local terms energy: -501.138238 where: bonds (distance) C4'-P energy: -105.942 bonds (distance) P-C4' energy: -128.482 flat angles C4'-P-C4' energy: -130.108 flat angles P-C4'-P energy: -79.651 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: 9, replica: 4 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -934.870962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.870962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.870962 (E_RNA) where: Base-Base interactions energy: -483.058 where: short stacking energy: -264.465 Base-Backbone interact. energy: 4.490 local terms energy: -456.303764 where: bonds (distance) C4'-P energy: -127.037 bonds (distance) P-C4' energy: -133.901 flat angles C4'-P-C4' energy: -106.050 flat angles P-C4'-P energy: -75.147 tors. eta vs tors. theta energy: -14.169 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: 10, replica: 5 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -697.337481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.337481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.337481 (E_RNA) where: Base-Base interactions energy: -309.719 where: short stacking energy: -202.187 Base-Backbone interact. energy: 1.479 local terms energy: -389.098128 where: bonds (distance) C4'-P energy: -122.478 bonds (distance) P-C4' energy: -126.623 flat angles C4'-P-C4' energy: -112.224 flat angles P-C4'-P energy: -46.565 tors. eta vs tors. theta energy: 18.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2130.811764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.811764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.811764 (E_RNA) where: Base-Base interactions energy: -1390.711 where: short stacking energy: -644.596 Base-Backbone interact. energy: -1.749 local terms energy: -738.351545 where: bonds (distance) C4'-P energy: -150.105 bonds (distance) P-C4' energy: -159.268 flat angles C4'-P-C4' energy: -158.800 flat angles P-C4'-P energy: -96.540 tors. eta vs tors. theta energy: -173.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2062.195652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.195652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.195652 (E_RNA) where: Base-Base interactions energy: -1343.982 where: short stacking energy: -659.310 Base-Backbone interact. energy: -3.627 local terms energy: -714.586168 where: bonds (distance) C4'-P energy: -139.192 bonds (distance) P-C4' energy: -144.965 flat angles C4'-P-C4' energy: -168.371 flat angles P-C4'-P energy: -93.479 tors. eta vs tors. theta energy: -168.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1948.007779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.007779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.007779 (E_RNA) where: Base-Base interactions energy: -1261.578 where: short stacking energy: -586.960 Base-Backbone interact. energy: -4.508 local terms energy: -681.922315 where: bonds (distance) C4'-P energy: -133.286 bonds (distance) P-C4' energy: -164.830 flat angles C4'-P-C4' energy: -151.436 flat angles P-C4'-P energy: -76.619 tors. eta vs tors. theta energy: -155.751 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: 4, replica: 9 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1711.360010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.360010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.360010 (E_RNA) where: Base-Base interactions energy: -1061.320 where: short stacking energy: -524.672 Base-Backbone interact. energy: 0.082 local terms energy: -650.121787 where: bonds (distance) C4'-P energy: -126.081 bonds (distance) P-C4' energy: -157.397 flat angles C4'-P-C4' energy: -144.764 flat angles P-C4'-P energy: -87.350 tors. eta vs tors. theta energy: -134.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1556.697550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.697550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.697550 (E_RNA) where: Base-Base interactions energy: -935.309 where: short stacking energy: -469.737 Base-Backbone interact. energy: -2.769 local terms energy: -618.619612 where: bonds (distance) C4'-P energy: -125.932 bonds (distance) P-C4' energy: -136.519 flat angles C4'-P-C4' energy: -150.594 flat angles P-C4'-P energy: -83.443 tors. eta vs tors. theta energy: -122.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1385.496285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.496285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.496285 (E_RNA) where: Base-Base interactions energy: -806.304 where: short stacking energy: -394.090 Base-Backbone interact. energy: -1.542 local terms energy: -577.649472 where: bonds (distance) C4'-P energy: -135.449 bonds (distance) P-C4' energy: -148.925 flat angles C4'-P-C4' energy: -133.074 flat angles P-C4'-P energy: -66.509 tors. eta vs tors. theta energy: -93.693 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: 7, replica: 3 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1422.233814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.233814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.233814 (E_RNA) where: Base-Base interactions energy: -898.796 where: short stacking energy: -446.426 Base-Backbone interact. energy: 0.150 local terms energy: -523.588256 where: bonds (distance) C4'-P energy: -100.893 bonds (distance) P-C4' energy: -122.304 flat angles C4'-P-C4' energy: -144.425 flat angles P-C4'-P energy: -67.287 tors. eta vs tors. theta energy: -88.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1267.780703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.780703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.780703 (E_RNA) where: Base-Base interactions energy: -780.027 where: short stacking energy: -356.776 Base-Backbone interact. energy: 7.039 local terms energy: -494.793227 where: bonds (distance) C4'-P energy: -115.460 bonds (distance) P-C4' energy: -113.134 flat angles C4'-P-C4' energy: -111.503 flat angles P-C4'-P energy: -87.730 tors. eta vs tors. theta energy: -66.966 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: 4 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -893.770825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.770825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.770825 (E_RNA) where: Base-Base interactions energy: -461.444 where: short stacking energy: -255.012 Base-Backbone interact. energy: -4.496 local terms energy: -427.831288 where: bonds (distance) C4'-P energy: -118.046 bonds (distance) P-C4' energy: -128.307 flat angles C4'-P-C4' energy: -108.802 flat angles P-C4'-P energy: -62.271 tors. eta vs tors. theta energy: -10.406 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: 5 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -704.346026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.346026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.346026 (E_RNA) where: Base-Base interactions energy: -339.085 where: short stacking energy: -177.105 Base-Backbone interact. energy: -1.662 local terms energy: -363.599154 where: bonds (distance) C4'-P energy: -107.382 bonds (distance) P-C4' energy: -115.462 flat angles C4'-P-C4' energy: -110.113 flat angles P-C4'-P energy: -59.726 tors. eta vs tors. theta energy: 29.084 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: 1, replica: 7 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2119.122712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.122712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.122712 (E_RNA) where: Base-Base interactions energy: -1412.247 where: short stacking energy: -647.280 Base-Backbone interact. energy: -3.674 local terms energy: -703.201634 where: bonds (distance) C4'-P energy: -135.803 bonds (distance) P-C4' energy: -138.087 flat angles C4'-P-C4' energy: -156.526 flat angles P-C4'-P energy: -107.689 tors. eta vs tors. theta energy: -165.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2091.446038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.446038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.446038 (E_RNA) where: Base-Base interactions energy: -1361.397 where: short stacking energy: -635.554 Base-Backbone interact. energy: -0.901 local terms energy: -729.148281 where: bonds (distance) C4'-P energy: -142.088 bonds (distance) P-C4' energy: -148.806 flat angles C4'-P-C4' energy: -169.348 flat angles P-C4'-P energy: -102.973 tors. eta vs tors. theta energy: -165.933 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: 10 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2006.451496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.451496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.451496 (E_RNA) where: Base-Base interactions energy: -1287.815 where: short stacking energy: -633.624 Base-Backbone interact. energy: -1.440 local terms energy: -717.196328 where: bonds (distance) C4'-P energy: -141.269 bonds (distance) P-C4' energy: -150.809 flat angles C4'-P-C4' energy: -141.312 flat angles P-C4'-P energy: -109.240 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: 4, replica: 9 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1766.505380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.505380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.505380 (E_RNA) where: Base-Base interactions energy: -1113.270 where: short stacking energy: -555.033 Base-Backbone interact. energy: -2.791 local terms energy: -650.445038 where: bonds (distance) C4'-P energy: -138.049 bonds (distance) P-C4' energy: -140.337 flat angles C4'-P-C4' energy: -146.918 flat angles P-C4'-P energy: -96.082 tors. eta vs tors. theta energy: -129.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1546.151592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.151592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.151592 (E_RNA) where: Base-Base interactions energy: -965.417 where: short stacking energy: -482.717 Base-Backbone interact. energy: 2.227 local terms energy: -582.961319 where: bonds (distance) C4'-P energy: -122.539 bonds (distance) P-C4' energy: -134.757 flat angles C4'-P-C4' energy: -133.044 flat angles P-C4'-P energy: -90.465 tors. eta vs tors. theta energy: -102.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1510.591855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.591855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.591855 (E_RNA) where: Base-Base interactions energy: -943.334 where: short stacking energy: -417.938 Base-Backbone interact. energy: -3.043 local terms energy: -564.214526 where: bonds (distance) C4'-P energy: -124.180 bonds (distance) P-C4' energy: -130.928 flat angles C4'-P-C4' energy: -148.585 flat angles P-C4'-P energy: -79.733 tors. eta vs tors. theta energy: -80.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1348.609236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.609236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.609236 (E_RNA) where: Base-Base interactions energy: -801.648 where: short stacking energy: -397.630 Base-Backbone interact. energy: 0.153 local terms energy: -547.114250 where: bonds (distance) C4'-P energy: -115.443 bonds (distance) P-C4' energy: -126.134 flat angles C4'-P-C4' energy: -129.755 flat angles P-C4'-P energy: -85.554 tors. eta vs tors. theta energy: -90.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1285.419334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.419334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.419334 (E_RNA) where: Base-Base interactions energy: -764.630 where: short stacking energy: -348.979 Base-Backbone interact. energy: 4.206 local terms energy: -524.996231 where: bonds (distance) C4'-P energy: -143.062 bonds (distance) P-C4' energy: -129.511 flat angles C4'-P-C4' energy: -114.182 flat angles P-C4'-P energy: -87.563 tors. eta vs tors. theta energy: -50.679 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: 4 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -870.800686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.800686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.800686 (E_RNA) where: Base-Base interactions energy: -456.200 where: short stacking energy: -278.319 Base-Backbone interact. energy: 0.882 local terms energy: -415.482900 where: bonds (distance) C4'-P energy: -118.006 bonds (distance) P-C4' energy: -115.933 flat angles C4'-P-C4' energy: -90.577 flat angles P-C4'-P energy: -63.916 tors. eta vs tors. theta energy: -27.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -658.832026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.832026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.832026 (E_RNA) where: Base-Base interactions energy: -322.576 where: short stacking energy: -208.547 Base-Backbone interact. energy: 9.750 local terms energy: -346.005695 where: bonds (distance) C4'-P energy: -90.392 bonds (distance) P-C4' energy: -102.498 flat angles C4'-P-C4' energy: -113.816 flat angles P-C4'-P energy: -55.880 tors. eta vs tors. theta energy: 16.580 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: 7 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2095.993862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.993862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.993862 (E_RNA) where: Base-Base interactions energy: -1372.097 where: short stacking energy: -650.152 Base-Backbone interact. energy: -3.093 local terms energy: -720.803735 where: bonds (distance) C4'-P energy: -149.866 bonds (distance) P-C4' energy: -140.188 flat angles C4'-P-C4' energy: -159.402 flat angles P-C4'-P energy: -101.723 tors. eta vs tors. theta energy: -169.625 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: 1 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2072.803555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.803555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.803555 (E_RNA) where: Base-Base interactions energy: -1326.483 where: short stacking energy: -674.379 Base-Backbone interact. energy: -2.179 local terms energy: -744.140807 where: bonds (distance) C4'-P energy: -156.778 bonds (distance) P-C4' energy: -142.166 flat angles C4'-P-C4' energy: -161.781 flat angles P-C4'-P energy: -106.524 tors. eta vs tors. theta energy: -176.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2014.349986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.349986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.349986 (E_RNA) where: Base-Base interactions energy: -1311.004 where: short stacking energy: -613.945 Base-Backbone interact. energy: -0.185 local terms energy: -703.160518 where: bonds (distance) C4'-P energy: -137.471 bonds (distance) P-C4' energy: -134.353 flat angles C4'-P-C4' energy: -160.447 flat angles P-C4'-P energy: -100.694 tors. eta vs tors. theta energy: -170.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1654.679226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.679226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.679226 (E_RNA) where: Base-Base interactions energy: -1016.905 where: short stacking energy: -532.427 Base-Backbone interact. energy: -0.335 local terms energy: -637.438493 where: bonds (distance) C4'-P energy: -118.655 bonds (distance) P-C4' energy: -140.020 flat angles C4'-P-C4' energy: -155.863 flat angles P-C4'-P energy: -101.772 tors. eta vs tors. theta energy: -121.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1593.798277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.798277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.798277 (E_RNA) where: Base-Base interactions energy: -950.187 where: short stacking energy: -514.776 Base-Backbone interact. energy: -0.786 local terms energy: -642.825551 where: bonds (distance) C4'-P energy: -119.849 bonds (distance) P-C4' energy: -145.143 flat angles C4'-P-C4' energy: -147.829 flat angles P-C4'-P energy: -86.904 tors. eta vs tors. theta energy: -143.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1514.041494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.041494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.041494 (E_RNA) where: Base-Base interactions energy: -961.725 where: short stacking energy: -458.603 Base-Backbone interact. energy: -0.259 local terms energy: -552.057645 where: bonds (distance) C4'-P energy: -118.791 bonds (distance) P-C4' energy: -119.103 flat angles C4'-P-C4' energy: -130.321 flat angles P-C4'-P energy: -73.052 tors. eta vs tors. theta energy: -110.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1449.756625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.756625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.756625 (E_RNA) where: Base-Base interactions energy: -899.308 where: short stacking energy: -437.702 Base-Backbone interact. energy: -0.691 local terms energy: -549.757853 where: bonds (distance) C4'-P energy: -125.787 bonds (distance) P-C4' energy: -130.388 flat angles C4'-P-C4' energy: -129.775 flat angles P-C4'-P energy: -80.374 tors. eta vs tors. theta energy: -83.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1238.935375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.935375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.935375 (E_RNA) where: Base-Base interactions energy: -768.097 where: short stacking energy: -378.089 Base-Backbone interact. energy: 1.859 local terms energy: -472.698262 where: bonds (distance) C4'-P energy: -104.536 bonds (distance) P-C4' energy: -113.106 flat angles C4'-P-C4' energy: -118.190 flat angles P-C4'-P energy: -53.242 tors. eta vs tors. theta energy: -83.625 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: 4 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -871.049329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.049329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.049329 (E_RNA) where: Base-Base interactions energy: -435.911 where: short stacking energy: -239.398 Base-Backbone interact. energy: 6.412 local terms energy: -441.550845 where: bonds (distance) C4'-P energy: -122.711 bonds (distance) P-C4' energy: -127.812 flat angles C4'-P-C4' energy: -116.314 flat angles P-C4'-P energy: -71.694 tors. eta vs tors. theta energy: -3.019 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: 5 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -681.896197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.896197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.896197 (E_RNA) where: Base-Base interactions energy: -305.071 where: short stacking energy: -217.186 Base-Backbone interact. energy: 0.429 local terms energy: -377.254308 where: bonds (distance) C4'-P energy: -99.868 bonds (distance) P-C4' energy: -133.902 flat angles C4'-P-C4' energy: -90.411 flat angles P-C4'-P energy: -54.658 tors. eta vs tors. theta energy: 1.584 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: 7 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2122.932999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.932999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.932999 (E_RNA) where: Base-Base interactions energy: -1422.141 where: short stacking energy: -673.627 Base-Backbone interact. energy: -2.026 local terms energy: -698.765909 where: bonds (distance) C4'-P energy: -132.006 bonds (distance) P-C4' energy: -145.855 flat angles C4'-P-C4' energy: -164.081 flat angles P-C4'-P energy: -87.040 tors. eta vs tors. theta energy: -169.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2118.651999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.651999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.651999 (E_RNA) where: Base-Base interactions energy: -1392.961 where: short stacking energy: -672.317 Base-Backbone interact. energy: -2.615 local terms energy: -723.075893 where: bonds (distance) C4'-P energy: -135.542 bonds (distance) P-C4' energy: -129.663 flat angles C4'-P-C4' energy: -168.041 flat angles P-C4'-P energy: -99.832 tors. eta vs tors. theta energy: -189.998 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: 10 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2039.693271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.693271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.693271 (E_RNA) where: Base-Base interactions energy: -1321.991 where: short stacking energy: -576.524 Base-Backbone interact. energy: 3.078 local terms energy: -720.779895 where: bonds (distance) C4'-P energy: -151.318 bonds (distance) P-C4' energy: -152.997 flat angles C4'-P-C4' energy: -142.254 flat angles P-C4'-P energy: -111.705 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: 4, replica: 6 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1657.805902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.805902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.805902 (E_RNA) where: Base-Base interactions energy: -1021.681 where: short stacking energy: -487.267 Base-Backbone interact. energy: 1.148 local terms energy: -637.273750 where: bonds (distance) C4'-P energy: -134.888 bonds (distance) P-C4' energy: -141.123 flat angles C4'-P-C4' energy: -151.667 flat angles P-C4'-P energy: -83.786 tors. eta vs tors. theta energy: -125.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1596.802284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.802284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.802284 (E_RNA) where: Base-Base interactions energy: -997.660 where: short stacking energy: -449.525 Base-Backbone interact. energy: -4.529 local terms energy: -594.614153 where: bonds (distance) C4'-P energy: -132.068 bonds (distance) P-C4' energy: -143.058 flat angles C4'-P-C4' energy: -135.619 flat angles P-C4'-P energy: -89.130 tors. eta vs tors. theta energy: -94.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1575.204427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.204427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.204427 (E_RNA) where: Base-Base interactions energy: -986.970 where: short stacking energy: -473.867 Base-Backbone interact. energy: -0.726 local terms energy: -587.507524 where: bonds (distance) C4'-P energy: -135.387 bonds (distance) P-C4' energy: -133.197 flat angles C4'-P-C4' energy: -124.564 flat angles P-C4'-P energy: -85.643 tors. eta vs tors. theta energy: -108.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1439.555504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.555504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.555504 (E_RNA) where: Base-Base interactions energy: -856.873 where: short stacking energy: -417.159 Base-Backbone interact. energy: -0.800 local terms energy: -581.882617 where: bonds (distance) C4'-P energy: -117.144 bonds (distance) P-C4' energy: -146.090 flat angles C4'-P-C4' energy: -131.485 flat angles P-C4'-P energy: -83.221 tors. eta vs tors. theta energy: -103.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1224.947867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.947867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.947867 (E_RNA) where: Base-Base interactions energy: -712.060 where: short stacking energy: -376.788 Base-Backbone interact. energy: 0.766 local terms energy: -513.654128 where: bonds (distance) C4'-P energy: -128.456 bonds (distance) P-C4' energy: -141.748 flat angles C4'-P-C4' energy: -112.402 flat angles P-C4'-P energy: -64.881 tors. eta vs tors. theta energy: -66.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -822.696164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.696164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.696164 (E_RNA) where: Base-Base interactions energy: -409.109 where: short stacking energy: -245.390 Base-Backbone interact. energy: -0.798 local terms energy: -412.788460 where: bonds (distance) C4'-P energy: -109.775 bonds (distance) P-C4' energy: -127.645 flat angles C4'-P-C4' energy: -105.247 flat angles P-C4'-P energy: -64.022 tors. eta vs tors. theta energy: -6.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -667.620623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.620623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.620623 (E_RNA) where: Base-Base interactions energy: -294.000 where: short stacking energy: -225.763 Base-Backbone interact. energy: -2.977 local terms energy: -370.643570 where: bonds (distance) C4'-P energy: -108.089 bonds (distance) P-C4' energy: -124.974 flat angles C4'-P-C4' energy: -92.575 flat angles P-C4'-P energy: -54.735 tors. eta vs tors. theta energy: 9.729 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: 7 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2112.681514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.681514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.681514 (E_RNA) where: Base-Base interactions energy: -1383.346 where: short stacking energy: -654.556 Base-Backbone interact. energy: -1.507 local terms energy: -727.828200 where: bonds (distance) C4'-P energy: -141.833 bonds (distance) P-C4' energy: -147.227 flat angles C4'-P-C4' energy: -174.721 flat angles P-C4'-P energy: -87.142 tors. eta vs tors. theta energy: -176.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2122.402149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.402149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.402149 (E_RNA) where: Base-Base interactions energy: -1378.594 where: short stacking energy: -644.629 Base-Backbone interact. energy: -3.764 local terms energy: -740.044083 where: bonds (distance) C4'-P energy: -155.619 bonds (distance) P-C4' energy: -150.778 flat angles C4'-P-C4' energy: -155.734 flat angles P-C4'-P energy: -112.058 tors. eta vs tors. theta energy: -165.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2057.564959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.564959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.564959 (E_RNA) where: Base-Base interactions energy: -1362.011 where: short stacking energy: -639.486 Base-Backbone interact. energy: -2.222 local terms energy: -693.331159 where: bonds (distance) C4'-P energy: -122.927 bonds (distance) P-C4' energy: -141.807 flat angles C4'-P-C4' energy: -162.245 flat angles P-C4'-P energy: -100.713 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: 4, replica: 6 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1703.788140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.788140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.788140 (E_RNA) where: Base-Base interactions energy: -1041.109 where: short stacking energy: -522.450 Base-Backbone interact. energy: -4.241 local terms energy: -658.438420 where: bonds (distance) C4'-P energy: -136.686 bonds (distance) P-C4' energy: -153.415 flat angles C4'-P-C4' energy: -149.828 flat angles P-C4'-P energy: -85.761 tors. eta vs tors. theta energy: -132.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1745.649637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.649637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.649637 (E_RNA) where: Base-Base interactions energy: -1122.009 where: short stacking energy: -520.759 Base-Backbone interact. energy: -0.135 local terms energy: -623.505857 where: bonds (distance) C4'-P energy: -120.396 bonds (distance) P-C4' energy: -135.961 flat angles C4'-P-C4' energy: -140.913 flat angles P-C4'-P energy: -99.192 tors. eta vs tors. theta energy: -127.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1473.821465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.821465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.821465 (E_RNA) where: Base-Base interactions energy: -921.487 where: short stacking energy: -461.202 Base-Backbone interact. energy: 0.711 local terms energy: -553.045738 where: bonds (distance) C4'-P energy: -117.953 bonds (distance) P-C4' energy: -136.820 flat angles C4'-P-C4' energy: -121.406 flat angles P-C4'-P energy: -89.845 tors. eta vs tors. theta energy: -87.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1408.552662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.552662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.552662 (E_RNA) where: Base-Base interactions energy: -883.798 where: short stacking energy: -419.677 Base-Backbone interact. energy: 1.644 local terms energy: -526.398547 where: bonds (distance) C4'-P energy: -101.324 bonds (distance) P-C4' energy: -140.622 flat angles C4'-P-C4' energy: -134.977 flat angles P-C4'-P energy: -79.897 tors. eta vs tors. theta energy: -69.578 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: 2 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1187.463877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.463877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.463877 (E_RNA) where: Base-Base interactions energy: -696.706 where: short stacking energy: -335.618 Base-Backbone interact. energy: 6.345 local terms energy: -497.102568 where: bonds (distance) C4'-P energy: -124.958 bonds (distance) P-C4' energy: -142.164 flat angles C4'-P-C4' energy: -97.930 flat angles P-C4'-P energy: -84.364 tors. eta vs tors. theta energy: -47.686 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: 4 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -787.927535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.927535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.927535 (E_RNA) where: Base-Base interactions energy: -379.646 where: short stacking energy: -234.968 Base-Backbone interact. energy: 2.672 local terms energy: -410.953333 where: bonds (distance) C4'-P energy: -94.690 bonds (distance) P-C4' energy: -127.251 flat angles C4'-P-C4' energy: -116.007 flat angles P-C4'-P energy: -64.247 tors. eta vs tors. theta energy: -8.757 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: 5 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -659.413625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.413625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.413625 (E_RNA) where: Base-Base interactions energy: -275.570 where: short stacking energy: -170.425 Base-Backbone interact. energy: -3.754 local terms energy: -380.090441 where: bonds (distance) C4'-P energy: -116.754 bonds (distance) P-C4' energy: -122.209 flat angles C4'-P-C4' energy: -85.946 flat angles P-C4'-P energy: -80.509 tors. eta vs tors. theta energy: 25.328 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: 7 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2092.203035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.203035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.203035 (E_RNA) where: Base-Base interactions energy: -1359.591 where: short stacking energy: -660.450 Base-Backbone interact. energy: -1.552 local terms energy: -731.060053 where: bonds (distance) C4'-P energy: -151.312 bonds (distance) P-C4' energy: -153.153 flat angles C4'-P-C4' energy: -149.364 flat angles P-C4'-P energy: -107.609 tors. eta vs tors. theta energy: -169.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2110.443396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.443396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.443396 (E_RNA) where: Base-Base interactions energy: -1356.586 where: short stacking energy: -659.200 Base-Backbone interact. energy: -2.123 local terms energy: -751.734646 where: bonds (distance) C4'-P energy: -142.763 bonds (distance) P-C4' energy: -151.598 flat angles C4'-P-C4' energy: -153.871 flat angles P-C4'-P energy: -101.909 tors. eta vs tors. theta energy: -201.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2057.105692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.105692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.105692 (E_RNA) where: Base-Base interactions energy: -1348.762 where: short stacking energy: -623.942 Base-Backbone interact. energy: -3.181 local terms energy: -705.162092 where: bonds (distance) C4'-P energy: -140.860 bonds (distance) P-C4' energy: -139.262 flat angles C4'-P-C4' energy: -163.183 flat angles P-C4'-P energy: -104.960 tors. eta vs tors. theta energy: -156.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1785.857182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.857182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.857182 (E_RNA) where: Base-Base interactions energy: -1148.130 where: short stacking energy: -522.969 Base-Backbone interact. energy: -0.201 local terms energy: -637.525878 where: bonds (distance) C4'-P energy: -139.049 bonds (distance) P-C4' energy: -138.038 flat angles C4'-P-C4' energy: -147.913 flat angles P-C4'-P energy: -86.288 tors. eta vs tors. theta energy: -126.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1659.060392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.060392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.060392 (E_RNA) where: Base-Base interactions energy: -1076.848 where: short stacking energy: -497.508 Base-Backbone interact. energy: -0.087 local terms energy: -582.124742 where: bonds (distance) C4'-P energy: -111.200 bonds (distance) P-C4' energy: -132.488 flat angles C4'-P-C4' energy: -140.938 flat angles P-C4'-P energy: -94.905 tors. eta vs tors. theta energy: -102.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1540.301983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.301983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.301983 (E_RNA) where: Base-Base interactions energy: -961.384 where: short stacking energy: -468.512 Base-Backbone interact. energy: 4.702 local terms energy: -583.619660 where: bonds (distance) C4'-P energy: -120.235 bonds (distance) P-C4' energy: -118.921 flat angles C4'-P-C4' energy: -144.933 flat angles P-C4'-P energy: -87.939 tors. eta vs tors. theta energy: -111.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1472.581644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.581644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.581644 (E_RNA) where: Base-Base interactions energy: -891.578 where: short stacking energy: -417.431 Base-Backbone interact. energy: -0.524 local terms energy: -580.479625 where: bonds (distance) C4'-P energy: -135.235 bonds (distance) P-C4' energy: -149.811 flat angles C4'-P-C4' energy: -114.764 flat angles P-C4'-P energy: -87.086 tors. eta vs tors. theta energy: -93.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1127.868329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.868329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.868329 (E_RNA) where: Base-Base interactions energy: -690.386 where: short stacking energy: -287.122 Base-Backbone interact. energy: 0.639 local terms energy: -438.121732 where: bonds (distance) C4'-P energy: -113.306 bonds (distance) P-C4' energy: -132.614 flat angles C4'-P-C4' energy: -103.170 flat angles P-C4'-P energy: -65.361 tors. eta vs tors. theta energy: -23.670 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: 9, replica: 4 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -808.773987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.773987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.773987 (E_RNA) where: Base-Base interactions energy: -420.107 where: short stacking energy: -245.515 Base-Backbone interact. energy: 6.868 local terms energy: -395.534227 where: bonds (distance) C4'-P energy: -115.579 bonds (distance) P-C4' energy: -122.737 flat angles C4'-P-C4' energy: -111.182 flat angles P-C4'-P energy: -64.934 tors. eta vs tors. theta energy: 18.897 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: 10, replica: 5 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -707.580551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.580551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.580551 (E_RNA) where: Base-Base interactions energy: -318.959 where: short stacking energy: -169.504 Base-Backbone interact. energy: -0.316 local terms energy: -388.305659 where: bonds (distance) C4'-P energy: -106.341 bonds (distance) P-C4' energy: -132.858 flat angles C4'-P-C4' energy: -109.051 flat angles P-C4'-P energy: -56.800 tors. eta vs tors. theta energy: 16.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2145.165229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.165229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.165229 (E_RNA) where: Base-Base interactions energy: -1360.405 where: short stacking energy: -646.257 Base-Backbone interact. energy: -6.064 local terms energy: -778.696925 where: bonds (distance) C4'-P energy: -152.839 bonds (distance) P-C4' energy: -167.655 flat angles C4'-P-C4' energy: -164.979 flat angles P-C4'-P energy: -121.777 tors. eta vs tors. theta energy: -171.446 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: 1 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2115.554378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.554378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.554378 (E_RNA) where: Base-Base interactions energy: -1360.437 where: short stacking energy: -641.018 Base-Backbone interact. energy: -0.127 local terms energy: -754.989992 where: bonds (distance) C4'-P energy: -147.747 bonds (distance) P-C4' energy: -147.610 flat angles C4'-P-C4' energy: -160.303 flat angles P-C4'-P energy: -109.900 tors. eta vs tors. theta energy: -189.429 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: 10 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2076.270324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.270324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.270324 (E_RNA) where: Base-Base interactions energy: -1350.890 where: short stacking energy: -631.337 Base-Backbone interact. energy: -1.221 local terms energy: -724.159498 where: bonds (distance) C4'-P energy: -136.293 bonds (distance) P-C4' energy: -150.065 flat angles C4'-P-C4' energy: -157.015 flat angles P-C4'-P energy: -87.756 tors. eta vs tors. theta energy: -193.031 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: 40 Temperature: 1.050000 Total energy: -1791.522612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.522612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.522612 (E_RNA) where: Base-Base interactions energy: -1131.156 where: short stacking energy: -532.228 Base-Backbone interact. energy: -2.504 local terms energy: -657.862062 where: bonds (distance) C4'-P energy: -117.443 bonds (distance) P-C4' energy: -147.304 flat angles C4'-P-C4' energy: -150.271 flat angles P-C4'-P energy: -107.529 tors. eta vs tors. theta energy: -135.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1645.666779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.666779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.666779 (E_RNA) where: Base-Base interactions energy: -1046.644 where: short stacking energy: -499.609 Base-Backbone interact. energy: 1.114 local terms energy: -600.136609 where: bonds (distance) C4'-P energy: -131.892 bonds (distance) P-C4' energy: -121.501 flat angles C4'-P-C4' energy: -154.647 flat angles P-C4'-P energy: -78.402 tors. eta vs tors. theta energy: -113.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1535.785239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.785239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.785239 (E_RNA) where: Base-Base interactions energy: -949.890 where: short stacking energy: -464.824 Base-Backbone interact. energy: -1.946 local terms energy: -583.949028 where: bonds (distance) C4'-P energy: -103.103 bonds (distance) P-C4' energy: -144.997 flat angles C4'-P-C4' energy: -153.322 flat angles P-C4'-P energy: -78.279 tors. eta vs tors. theta energy: -104.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1460.828307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.828307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.828307 (E_RNA) where: Base-Base interactions energy: -942.628 where: short stacking energy: -451.790 Base-Backbone interact. energy: -0.388 local terms energy: -517.811623 where: bonds (distance) C4'-P energy: -100.057 bonds (distance) P-C4' energy: -118.558 flat angles C4'-P-C4' energy: -121.672 flat angles P-C4'-P energy: -92.301 tors. eta vs tors. theta energy: -85.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1110.321597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.321597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.321597 (E_RNA) where: Base-Base interactions energy: -663.998 where: short stacking energy: -296.353 Base-Backbone interact. energy: 2.906 local terms energy: -449.229294 where: bonds (distance) C4'-P energy: -123.265 bonds (distance) P-C4' energy: -138.688 flat angles C4'-P-C4' energy: -100.512 flat angles P-C4'-P energy: -71.819 tors. eta vs tors. theta energy: -14.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -734.164771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.164771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.164771 (E_RNA) where: Base-Base interactions energy: -337.739 where: short stacking energy: -227.308 Base-Backbone interact. energy: 2.259 local terms energy: -398.684608 where: bonds (distance) C4'-P energy: -118.482 bonds (distance) P-C4' energy: -128.799 flat angles C4'-P-C4' energy: -101.364 flat angles P-C4'-P energy: -58.118 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: 40 Temperature: 1.350000 Total energy: -790.772933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.772933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.772933 (E_RNA) where: Base-Base interactions energy: -379.200 where: short stacking energy: -214.507 Base-Backbone interact. energy: 5.117 local terms energy: -416.690161 where: bonds (distance) C4'-P energy: -122.305 bonds (distance) P-C4' energy: -129.809 flat angles C4'-P-C4' energy: -115.417 flat angles P-C4'-P energy: -59.614 tors. eta vs tors. theta energy: 10.455 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: 7 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2150.659590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.659590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.659590 (E_RNA) where: Base-Base interactions energy: -1400.268 where: short stacking energy: -653.552 Base-Backbone interact. energy: -1.418 local terms energy: -748.973301 where: bonds (distance) C4'-P energy: -145.312 bonds (distance) P-C4' energy: -141.528 flat angles C4'-P-C4' energy: -160.389 flat angles P-C4'-P energy: -124.932 tors. eta vs tors. theta energy: -176.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2109.994138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.994138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.994138 (E_RNA) where: Base-Base interactions energy: -1375.630 where: short stacking energy: -648.044 Base-Backbone interact. energy: 0.298 local terms energy: -734.662799 where: bonds (distance) C4'-P energy: -147.759 bonds (distance) P-C4' energy: -129.803 flat angles C4'-P-C4' energy: -164.734 flat angles P-C4'-P energy: -116.102 tors. eta vs tors. theta energy: -176.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2037.252989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.252989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.252989 (E_RNA) where: Base-Base interactions energy: -1318.579 where: short stacking energy: -614.946 Base-Backbone interact. energy: 0.094 local terms energy: -718.768548 where: bonds (distance) C4'-P energy: -134.470 bonds (distance) P-C4' energy: -145.421 flat angles C4'-P-C4' energy: -162.894 flat angles P-C4'-P energy: -116.893 tors. eta vs tors. theta energy: -159.091 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: 41 Temperature: 1.050000 Total energy: -1861.000377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.000377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.000377 (E_RNA) where: Base-Base interactions energy: -1248.104 where: short stacking energy: -589.528 Base-Backbone interact. energy: -0.270 local terms energy: -612.626471 where: bonds (distance) C4'-P energy: -130.783 bonds (distance) P-C4' energy: -136.502 flat angles C4'-P-C4' energy: -123.704 flat angles P-C4'-P energy: -66.736 tors. eta vs tors. theta energy: -154.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1630.850992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.850992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.850992 (E_RNA) where: Base-Base interactions energy: -1037.458 where: short stacking energy: -511.390 Base-Backbone interact. energy: -3.609 local terms energy: -589.783533 where: bonds (distance) C4'-P energy: -124.742 bonds (distance) P-C4' energy: -122.830 flat angles C4'-P-C4' energy: -147.240 flat angles P-C4'-P energy: -95.363 tors. eta vs tors. theta energy: -99.609 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: 8 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1605.256024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.256024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.256024 (E_RNA) where: Base-Base interactions energy: -1020.331 where: short stacking energy: -490.786 Base-Backbone interact. energy: -1.309 local terms energy: -583.616259 where: bonds (distance) C4'-P energy: -117.700 bonds (distance) P-C4' energy: -118.756 flat angles C4'-P-C4' energy: -142.642 flat angles P-C4'-P energy: -91.529 tors. eta vs tors. theta energy: -112.989 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: 9 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1476.426540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.426540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.426540 (E_RNA) where: Base-Base interactions energy: -919.493 where: short stacking energy: -440.494 Base-Backbone interact. energy: -0.245 local terms energy: -556.688063 where: bonds (distance) C4'-P energy: -140.685 bonds (distance) P-C4' energy: -130.109 flat angles C4'-P-C4' energy: -125.398 flat angles P-C4'-P energy: -73.028 tors. eta vs tors. theta energy: -87.469 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: 2 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1059.463302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.463302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.463302 (E_RNA) where: Base-Base interactions energy: -594.594 where: short stacking energy: -301.905 Base-Backbone interact. energy: -3.065 local terms energy: -461.804326 where: bonds (distance) C4'-P energy: -114.708 bonds (distance) P-C4' energy: -126.879 flat angles C4'-P-C4' energy: -113.556 flat angles P-C4'-P energy: -61.193 tors. eta vs tors. theta energy: -45.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -728.265126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.265126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.265126 (E_RNA) where: Base-Base interactions energy: -315.668 where: short stacking energy: -200.330 Base-Backbone interact. energy: 8.913 local terms energy: -421.510449 where: bonds (distance) C4'-P energy: -148.328 bonds (distance) P-C4' energy: -119.035 flat angles C4'-P-C4' energy: -108.541 flat angles P-C4'-P energy: -61.810 tors. eta vs tors. theta energy: 16.203 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: 41 Temperature: 1.350000 Total energy: -721.363515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.363515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.363515 (E_RNA) where: Base-Base interactions energy: -340.214 where: short stacking energy: -182.079 Base-Backbone interact. energy: 3.095 local terms energy: -384.245115 where: bonds (distance) C4'-P energy: -126.686 bonds (distance) P-C4' energy: -134.211 flat angles C4'-P-C4' energy: -95.151 flat angles P-C4'-P energy: -38.533 tors. eta vs tors. theta energy: 10.337 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: 7 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2157.869408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.869408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.869408 (E_RNA) where: Base-Base interactions energy: -1405.377 where: short stacking energy: -654.726 Base-Backbone interact. energy: -1.284 local terms energy: -751.209197 where: bonds (distance) C4'-P energy: -148.016 bonds (distance) P-C4' energy: -156.457 flat angles C4'-P-C4' energy: -161.967 flat angles P-C4'-P energy: -114.098 tors. eta vs tors. theta energy: -170.671 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: 10 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2129.849931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.849931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.849931 (E_RNA) where: Base-Base interactions energy: -1385.807 where: short stacking energy: -663.522 Base-Backbone interact. energy: -3.221 local terms energy: -740.822254 where: bonds (distance) C4'-P energy: -145.416 bonds (distance) P-C4' energy: -144.884 flat angles C4'-P-C4' energy: -161.128 flat angles P-C4'-P energy: -107.012 tors. eta vs tors. theta energy: -182.381 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: 1 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2020.340168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.340168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.340168 (E_RNA) where: Base-Base interactions energy: -1314.889 where: short stacking energy: -622.338 Base-Backbone interact. energy: 3.188 local terms energy: -708.639799 where: bonds (distance) C4'-P energy: -147.139 bonds (distance) P-C4' energy: -148.821 flat angles C4'-P-C4' energy: -149.352 flat angles P-C4'-P energy: -102.028 tors. eta vs tors. theta energy: -161.299 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: 42 Temperature: 1.050000 Total energy: -1992.910948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.910948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.910948 (E_RNA) where: Base-Base interactions energy: -1305.895 where: short stacking energy: -582.862 Base-Backbone interact. energy: -2.999 local terms energy: -684.017591 where: bonds (distance) C4'-P energy: -127.246 bonds (distance) P-C4' energy: -148.515 flat angles C4'-P-C4' energy: -145.243 flat angles P-C4'-P energy: -94.119 tors. eta vs tors. theta energy: -168.894 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: 6 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1703.391579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.391579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.391579 (E_RNA) where: Base-Base interactions energy: -1075.347 where: short stacking energy: -536.135 Base-Backbone interact. energy: -0.991 local terms energy: -627.053623 where: bonds (distance) C4'-P energy: -144.675 bonds (distance) P-C4' energy: -129.651 flat angles C4'-P-C4' energy: -139.783 flat angles P-C4'-P energy: -85.169 tors. eta vs tors. theta energy: -127.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1579.850531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.850531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.850531 (E_RNA) where: Base-Base interactions energy: -959.462 where: short stacking energy: -445.726 Base-Backbone interact. energy: 2.932 local terms energy: -623.320490 where: bonds (distance) C4'-P energy: -149.692 bonds (distance) P-C4' energy: -136.381 flat angles C4'-P-C4' energy: -138.344 flat angles P-C4'-P energy: -102.587 tors. eta vs tors. theta energy: -96.315 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: 9 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1548.381853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.381853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.381853 (E_RNA) where: Base-Base interactions energy: -1012.610 where: short stacking energy: -474.852 Base-Backbone interact. energy: 1.543 local terms energy: -537.314211 where: bonds (distance) C4'-P energy: -110.427 bonds (distance) P-C4' energy: -118.724 flat angles C4'-P-C4' energy: -127.799 flat angles P-C4'-P energy: -82.768 tors. eta vs tors. theta energy: -97.596 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: 8, replica: 2 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1149.381185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.381185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.381185 (E_RNA) where: Base-Base interactions energy: -687.251 where: short stacking energy: -351.858 Base-Backbone interact. energy: 2.551 local terms energy: -464.681319 where: bonds (distance) C4'-P energy: -116.024 bonds (distance) P-C4' energy: -131.670 flat angles C4'-P-C4' energy: -111.073 flat angles P-C4'-P energy: -67.434 tors. eta vs tors. theta energy: -38.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -848.932556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.932556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.932556 (E_RNA) where: Base-Base interactions energy: -395.834 where: short stacking energy: -273.239 Base-Backbone interact. energy: 7.147 local terms energy: -460.245397 where: bonds (distance) C4'-P energy: -117.670 bonds (distance) P-C4' energy: -128.822 flat angles C4'-P-C4' energy: -120.289 flat angles P-C4'-P energy: -69.273 tors. eta vs tors. theta energy: -24.192 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: 10, replica: 5 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -630.585243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.585243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.585243 (E_RNA) where: Base-Base interactions energy: -268.505 where: short stacking energy: -170.342 Base-Backbone interact. energy: 3.448 local terms energy: -365.528507 where: bonds (distance) C4'-P energy: -125.209 bonds (distance) P-C4' energy: -117.781 flat angles C4'-P-C4' energy: -99.259 flat angles P-C4'-P energy: -51.464 tors. eta vs tors. theta energy: 28.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2150.626126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.626126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.626126 (E_RNA) where: Base-Base interactions energy: -1425.810 where: short stacking energy: -695.600 Base-Backbone interact. energy: -2.506 local terms energy: -722.310012 where: bonds (distance) C4'-P energy: -130.884 bonds (distance) P-C4' energy: -148.227 flat angles C4'-P-C4' energy: -155.429 flat angles P-C4'-P energy: -103.876 tors. eta vs tors. theta energy: -183.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2156.886785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.886785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.886785 (E_RNA) where: Base-Base interactions energy: -1441.331 where: short stacking energy: -684.013 Base-Backbone interact. energy: -1.987 local terms energy: -713.569533 where: bonds (distance) C4'-P energy: -134.494 bonds (distance) P-C4' energy: -141.563 flat angles C4'-P-C4' energy: -160.876 flat angles P-C4'-P energy: -98.890 tors. eta vs tors. theta energy: -177.747 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: 1 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2006.101074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.101074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.101074 (E_RNA) where: Base-Base interactions energy: -1309.366 where: short stacking energy: -614.193 Base-Backbone interact. energy: -2.528 local terms energy: -694.207436 where: bonds (distance) C4'-P energy: -140.276 bonds (distance) P-C4' energy: -139.304 flat angles C4'-P-C4' energy: -153.971 flat angles P-C4'-P energy: -97.791 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: 4, replica: 3 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1951.283410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.283410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.283410 (E_RNA) where: Base-Base interactions energy: -1282.450 where: short stacking energy: -578.385 Base-Backbone interact. energy: -0.974 local terms energy: -667.859037 where: bonds (distance) C4'-P energy: -126.720 bonds (distance) P-C4' energy: -134.827 flat angles C4'-P-C4' energy: -144.303 flat angles P-C4'-P energy: -100.800 tors. eta vs tors. theta energy: -161.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1672.841028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.841028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.841028 (E_RNA) where: Base-Base interactions energy: -1034.606 where: short stacking energy: -506.111 Base-Backbone interact. energy: -2.297 local terms energy: -635.937936 where: bonds (distance) C4'-P energy: -132.027 bonds (distance) P-C4' energy: -137.171 flat angles C4'-P-C4' energy: -151.891 flat angles P-C4'-P energy: -96.583 tors. eta vs tors. theta energy: -118.266 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: 9 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1593.515195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.515195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.515195 (E_RNA) where: Base-Base interactions energy: -1005.032 where: short stacking energy: -458.359 Base-Backbone interact. energy: 1.401 local terms energy: -589.884118 where: bonds (distance) C4'-P energy: -118.047 bonds (distance) P-C4' energy: -140.775 flat angles C4'-P-C4' energy: -145.546 flat angles P-C4'-P energy: -85.773 tors. eta vs tors. theta energy: -99.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1558.593195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.593195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.593195 (E_RNA) where: Base-Base interactions energy: -989.964 where: short stacking energy: -442.535 Base-Backbone interact. energy: 0.108 local terms energy: -568.736823 where: bonds (distance) C4'-P energy: -119.441 bonds (distance) P-C4' energy: -131.356 flat angles C4'-P-C4' energy: -135.664 flat angles P-C4'-P energy: -75.396 tors. eta vs tors. theta energy: -106.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1084.748465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.748465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.748465 (E_RNA) where: Base-Base interactions energy: -631.623 where: short stacking energy: -316.528 Base-Backbone interact. energy: 4.445 local terms energy: -457.570338 where: bonds (distance) C4'-P energy: -114.786 bonds (distance) P-C4' energy: -133.689 flat angles C4'-P-C4' energy: -116.047 flat angles P-C4'-P energy: -63.576 tors. eta vs tors. theta energy: -29.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -845.470178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.470178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.470178 (E_RNA) where: Base-Base interactions energy: -409.141 where: short stacking energy: -256.656 Base-Backbone interact. energy: 1.209 local terms energy: -437.537748 where: bonds (distance) C4'-P energy: -111.622 bonds (distance) P-C4' energy: -135.960 flat angles C4'-P-C4' energy: -126.622 flat angles P-C4'-P energy: -48.677 tors. eta vs tors. theta energy: -14.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -646.781197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.781197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.781197 (E_RNA) where: Base-Base interactions energy: -249.076 where: short stacking energy: -151.507 Base-Backbone interact. energy: 5.092 local terms energy: -402.797194 where: bonds (distance) C4'-P energy: -126.738 bonds (distance) P-C4' energy: -135.157 flat angles C4'-P-C4' energy: -106.386 flat angles P-C4'-P energy: -65.793 tors. eta vs tors. theta energy: 31.277 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: 10 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2238.372805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.372805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.372805 (E_RNA) where: Base-Base interactions energy: -1458.795 where: short stacking energy: -712.785 Base-Backbone interact. energy: -0.293 local terms energy: -779.284483 where: bonds (distance) C4'-P energy: -147.953 bonds (distance) P-C4' energy: -146.118 flat angles C4'-P-C4' energy: -165.171 flat angles P-C4'-P energy: -110.541 tors. eta vs tors. theta energy: -209.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2070.059197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.059197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.059197 (E_RNA) where: Base-Base interactions energy: -1335.653 where: short stacking energy: -642.792 Base-Backbone interact. energy: -3.274 local terms energy: -731.132562 where: bonds (distance) C4'-P energy: -144.171 bonds (distance) P-C4' energy: -148.865 flat angles C4'-P-C4' energy: -154.866 flat angles P-C4'-P energy: -104.587 tors. eta vs tors. theta energy: -178.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2032.927352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.927352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.927352 (E_RNA) where: Base-Base interactions energy: -1316.058 where: short stacking energy: -624.657 Base-Backbone interact. energy: -3.850 local terms energy: -713.019167 where: bonds (distance) C4'-P energy: -142.078 bonds (distance) P-C4' energy: -138.084 flat angles C4'-P-C4' energy: -153.820 flat angles P-C4'-P energy: -107.493 tors. eta vs tors. theta energy: -171.544 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: 4, replica: 3 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1975.388323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.388323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.388323 (E_RNA) where: Base-Base interactions energy: -1287.106 where: short stacking energy: -574.814 Base-Backbone interact. energy: 1.409 local terms energy: -689.691631 where: bonds (distance) C4'-P energy: -132.316 bonds (distance) P-C4' energy: -143.942 flat angles C4'-P-C4' energy: -160.523 flat angles P-C4'-P energy: -105.244 tors. eta vs tors. theta energy: -147.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1735.320954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.320954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.320954 (E_RNA) where: Base-Base interactions energy: -1087.258 where: short stacking energy: -530.386 Base-Backbone interact. energy: -4.401 local terms energy: -643.662044 where: bonds (distance) C4'-P energy: -120.002 bonds (distance) P-C4' energy: -135.050 flat angles C4'-P-C4' energy: -165.460 flat angles P-C4'-P energy: -85.495 tors. eta vs tors. theta energy: -137.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1598.835457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.835457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.835457 (E_RNA) where: Base-Base interactions energy: -1015.571 where: short stacking energy: -484.301 Base-Backbone interact. energy: 5.328 local terms energy: -588.592178 where: bonds (distance) C4'-P energy: -124.513 bonds (distance) P-C4' energy: -137.862 flat angles C4'-P-C4' energy: -139.132 flat angles P-C4'-P energy: -83.933 tors. eta vs tors. theta energy: -103.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1647.244094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.244094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.244094 (E_RNA) where: Base-Base interactions energy: -1090.222 where: short stacking energy: -509.153 Base-Backbone interact. energy: 2.717 local terms energy: -559.739486 where: bonds (distance) C4'-P energy: -108.003 bonds (distance) P-C4' energy: -123.421 flat angles C4'-P-C4' energy: -121.546 flat angles P-C4'-P energy: -83.401 tors. eta vs tors. theta energy: -123.368 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: 2 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1079.865448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.865448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.865448 (E_RNA) where: Base-Base interactions energy: -603.031 where: short stacking energy: -335.876 Base-Backbone interact. energy: -2.914 local terms energy: -473.920603 where: bonds (distance) C4'-P energy: -104.926 bonds (distance) P-C4' energy: -137.461 flat angles C4'-P-C4' energy: -106.933 flat angles P-C4'-P energy: -76.172 tors. eta vs tors. theta energy: -48.429 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: 4 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -930.504685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.504685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.504685 (E_RNA) where: Base-Base interactions energy: -509.823 where: short stacking energy: -283.550 Base-Backbone interact. energy: 1.010 local terms energy: -421.692401 where: bonds (distance) C4'-P energy: -119.784 bonds (distance) P-C4' energy: -132.986 flat angles C4'-P-C4' energy: -96.434 flat angles P-C4'-P energy: -61.437 tors. eta vs tors. theta energy: -11.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -655.266618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.266618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.266618 (E_RNA) where: Base-Base interactions energy: -280.938 where: short stacking energy: -199.627 Base-Backbone interact. energy: 4.043 local terms energy: -378.371473 where: bonds (distance) C4'-P energy: -108.170 bonds (distance) P-C4' energy: -132.847 flat angles C4'-P-C4' energy: -91.009 flat angles P-C4'-P energy: -59.910 tors. eta vs tors. theta energy: 13.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2268.123997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.123997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.123997 (E_RNA) where: Base-Base interactions energy: -1502.499 where: short stacking energy: -713.328 Base-Backbone interact. energy: 2.976 local terms energy: -768.600730 where: bonds (distance) C4'-P energy: -148.871 bonds (distance) P-C4' energy: -149.956 flat angles C4'-P-C4' energy: -167.920 flat angles P-C4'-P energy: -101.882 tors. eta vs tors. theta energy: -199.972 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: 2, replica: 1 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2108.308127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.308127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.308127 (E_RNA) where: Base-Base interactions energy: -1389.041 where: short stacking energy: -633.494 Base-Backbone interact. energy: 2.970 local terms energy: -722.237796 where: bonds (distance) C4'-P energy: -149.238 bonds (distance) P-C4' energy: -145.633 flat angles C4'-P-C4' energy: -154.199 flat angles P-C4'-P energy: -105.653 tors. eta vs tors. theta energy: -167.515 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: 7 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2036.372994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.372994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.372994 (E_RNA) where: Base-Base interactions energy: -1347.955 where: short stacking energy: -650.895 Base-Backbone interact. energy: 0.304 local terms energy: -688.722371 where: bonds (distance) C4'-P energy: -141.611 bonds (distance) P-C4' energy: -141.706 flat angles C4'-P-C4' energy: -144.823 flat angles P-C4'-P energy: -88.362 tors. eta vs tors. theta energy: -172.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2008.782344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.782344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.782344 (E_RNA) where: Base-Base interactions energy: -1331.315 where: short stacking energy: -594.352 Base-Backbone interact. energy: -2.749 local terms energy: -674.718586 where: bonds (distance) C4'-P energy: -145.005 bonds (distance) P-C4' energy: -133.668 flat angles C4'-P-C4' energy: -144.935 flat angles P-C4'-P energy: -91.648 tors. eta vs tors. theta energy: -159.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1689.158683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.158683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.158683 (E_RNA) where: Base-Base interactions energy: -1095.397 where: short stacking energy: -504.229 Base-Backbone interact. energy: -0.084 local terms energy: -593.677727 where: bonds (distance) C4'-P energy: -111.741 bonds (distance) P-C4' energy: -131.159 flat angles C4'-P-C4' energy: -147.018 flat angles P-C4'-P energy: -94.665 tors. eta vs tors. theta energy: -109.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1636.534763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.534763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.534763 (E_RNA) where: Base-Base interactions energy: -1055.303 where: short stacking energy: -496.526 Base-Backbone interact. energy: -3.131 local terms energy: -578.099834 where: bonds (distance) C4'-P energy: -102.991 bonds (distance) P-C4' energy: -143.079 flat angles C4'-P-C4' energy: -136.866 flat angles P-C4'-P energy: -84.469 tors. eta vs tors. theta energy: -110.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1658.174391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.174391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.174391 (E_RNA) where: Base-Base interactions energy: -1062.263 where: short stacking energy: -467.249 Base-Backbone interact. energy: 6.358 local terms energy: -602.269206 where: bonds (distance) C4'-P energy: -137.957 bonds (distance) P-C4' energy: -125.307 flat angles C4'-P-C4' energy: -135.652 flat angles P-C4'-P energy: -88.636 tors. eta vs tors. theta energy: -114.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1059.516852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.516852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.516852 (E_RNA) where: Base-Base interactions energy: -584.664 where: short stacking energy: -292.553 Base-Backbone interact. energy: -2.253 local terms energy: -472.600214 where: bonds (distance) C4'-P energy: -128.562 bonds (distance) P-C4' energy: -130.093 flat angles C4'-P-C4' energy: -133.662 flat angles P-C4'-P energy: -54.894 tors. eta vs tors. theta energy: -25.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -980.872249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.872249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.872249 (E_RNA) where: Base-Base interactions energy: -537.525 where: short stacking energy: -313.022 Base-Backbone interact. energy: 0.717 local terms energy: -444.064739 where: bonds (distance) C4'-P energy: -97.146 bonds (distance) P-C4' energy: -118.457 flat angles C4'-P-C4' energy: -118.179 flat angles P-C4'-P energy: -59.419 tors. eta vs tors. theta energy: -50.864 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: 10, replica: 5 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -681.403249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.403249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.403249 (E_RNA) where: Base-Base interactions energy: -298.337 where: short stacking energy: -199.263 Base-Backbone interact. energy: 2.085 local terms energy: -385.151847 where: bonds (distance) C4'-P energy: -118.067 bonds (distance) P-C4' energy: -104.667 flat angles C4'-P-C4' energy: -117.725 flat angles P-C4'-P energy: -54.436 tors. eta vs tors. theta energy: 9.743 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: 10 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2271.957796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.957796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.957796 (E_RNA) where: Base-Base interactions energy: -1491.394 where: short stacking energy: -732.218 Base-Backbone interact. energy: -3.947 local terms energy: -776.617271 where: bonds (distance) C4'-P energy: -157.761 bonds (distance) P-C4' energy: -146.524 flat angles C4'-P-C4' energy: -171.832 flat angles P-C4'-P energy: -101.453 tors. eta vs tors. theta energy: -199.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2159.362566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.362566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.362566 (E_RNA) where: Base-Base interactions energy: -1407.837 where: short stacking energy: -672.916 Base-Backbone interact. energy: -1.643 local terms energy: -749.881662 where: bonds (distance) C4'-P energy: -143.905 bonds (distance) P-C4' energy: -154.668 flat angles C4'-P-C4' energy: -163.128 flat angles P-C4'-P energy: -100.983 tors. eta vs tors. theta energy: -187.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2073.333446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.333446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.333446 (E_RNA) where: Base-Base interactions energy: -1385.448 where: short stacking energy: -621.832 Base-Backbone interact. energy: -2.553 local terms energy: -685.333131 where: bonds (distance) C4'-P energy: -134.020 bonds (distance) P-C4' energy: -136.154 flat angles C4'-P-C4' energy: -156.833 flat angles P-C4'-P energy: -94.832 tors. eta vs tors. theta energy: -163.494 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: 7 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1921.254015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.254015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.254015 (E_RNA) where: Base-Base interactions energy: -1221.850 where: short stacking energy: -592.922 Base-Backbone interact. energy: -3.948 local terms energy: -695.456160 where: bonds (distance) C4'-P energy: -133.887 bonds (distance) P-C4' energy: -136.876 flat angles C4'-P-C4' energy: -138.115 flat angles P-C4'-P energy: -113.213 tors. eta vs tors. theta energy: -173.366 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: 5, replica: 6 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1743.243591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.243591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.243591 (E_RNA) where: Base-Base interactions energy: -1085.927 where: short stacking energy: -516.475 Base-Backbone interact. energy: -2.540 local terms energy: -654.776348 where: bonds (distance) C4'-P energy: -138.380 bonds (distance) P-C4' energy: -148.020 flat angles C4'-P-C4' energy: -140.037 flat angles P-C4'-P energy: -92.116 tors. eta vs tors. theta energy: -136.224 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: 46 Temperature: 1.150000 Total energy: -1615.352752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.352752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.352752 (E_RNA) where: Base-Base interactions energy: -991.264 where: short stacking energy: -464.006 Base-Backbone interact. energy: -0.232 local terms energy: -623.856317 where: bonds (distance) C4'-P energy: -125.263 bonds (distance) P-C4' energy: -141.756 flat angles C4'-P-C4' energy: -147.187 flat angles P-C4'-P energy: -94.821 tors. eta vs tors. theta energy: -114.829 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: 7, replica: 8 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1639.880502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.880502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.880502 (E_RNA) where: Base-Base interactions energy: -1053.486 where: short stacking energy: -510.726 Base-Backbone interact. energy: -2.262 local terms energy: -584.132612 where: bonds (distance) C4'-P energy: -101.280 bonds (distance) P-C4' energy: -117.744 flat angles C4'-P-C4' energy: -145.649 flat angles P-C4'-P energy: -95.296 tors. eta vs tors. theta energy: -124.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1129.134880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.134880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.134880 (E_RNA) where: Base-Base interactions energy: -658.945 where: short stacking energy: -319.574 Base-Backbone interact. energy: 2.259 local terms energy: -472.448783 where: bonds (distance) C4'-P energy: -118.593 bonds (distance) P-C4' energy: -102.897 flat angles C4'-P-C4' energy: -126.159 flat angles P-C4'-P energy: -80.767 tors. eta vs tors. theta energy: -44.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -920.032108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.032108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.032108 (E_RNA) where: Base-Base interactions energy: -468.651 where: short stacking energy: -277.794 Base-Backbone interact. energy: 2.413 local terms energy: -453.794099 where: bonds (distance) C4'-P energy: -116.311 bonds (distance) P-C4' energy: -124.930 flat angles C4'-P-C4' energy: -118.460 flat angles P-C4'-P energy: -74.488 tors. eta vs tors. theta energy: -19.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -725.406396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.406396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.406396 (E_RNA) where: Base-Base interactions energy: -334.392 where: short stacking energy: -190.729 Base-Backbone interact. energy: -0.566 local terms energy: -390.447745 where: bonds (distance) C4'-P energy: -125.113 bonds (distance) P-C4' energy: -122.749 flat angles C4'-P-C4' energy: -99.186 flat angles P-C4'-P energy: -57.532 tors. eta vs tors. theta energy: 14.133 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: 10 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2263.747400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.747400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.747400 (E_RNA) where: Base-Base interactions energy: -1490.055 where: short stacking energy: -710.726 Base-Backbone interact. energy: -4.684 local terms energy: -769.008457 where: bonds (distance) C4'-P energy: -141.598 bonds (distance) P-C4' energy: -159.411 flat angles C4'-P-C4' energy: -167.714 flat angles P-C4'-P energy: -106.898 tors. eta vs tors. theta energy: -193.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2128.397226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.397226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.397226 (E_RNA) where: Base-Base interactions energy: -1408.882 where: short stacking energy: -666.168 Base-Backbone interact. energy: -0.793 local terms energy: -718.722201 where: bonds (distance) C4'-P energy: -124.762 bonds (distance) P-C4' energy: -150.624 flat angles C4'-P-C4' energy: -168.136 flat angles P-C4'-P energy: -96.776 tors. eta vs tors. theta energy: -178.424 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: 3 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2132.743114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.743114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.743114 (E_RNA) where: Base-Base interactions energy: -1423.901 where: short stacking energy: -620.037 Base-Backbone interact. energy: -3.528 local terms energy: -705.313945 where: bonds (distance) C4'-P energy: -144.851 bonds (distance) P-C4' energy: -128.090 flat angles C4'-P-C4' energy: -155.239 flat angles P-C4'-P energy: -110.648 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: 7 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1785.954001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.954001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.954001 (E_RNA) where: Base-Base interactions energy: -1137.804 where: short stacking energy: -565.928 Base-Backbone interact. energy: -3.963 local terms energy: -644.187652 where: bonds (distance) C4'-P energy: -124.941 bonds (distance) P-C4' energy: -142.382 flat angles C4'-P-C4' energy: -138.508 flat angles P-C4'-P energy: -95.575 tors. eta vs tors. theta energy: -142.782 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: 6 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1650.504431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.504431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.504431 (E_RNA) where: Base-Base interactions energy: -1059.707 where: short stacking energy: -463.451 Base-Backbone interact. energy: -3.871 local terms energy: -586.926262 where: bonds (distance) C4'-P energy: -121.930 bonds (distance) P-C4' energy: -146.128 flat angles C4'-P-C4' energy: -132.994 flat angles P-C4'-P energy: -89.687 tors. eta vs tors. theta energy: -96.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1742.549819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.549819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.549819 (E_RNA) where: Base-Base interactions energy: -1140.058 where: short stacking energy: -526.412 Base-Backbone interact. energy: 0.229 local terms energy: -602.720291 where: bonds (distance) C4'-P energy: -132.251 bonds (distance) P-C4' energy: -123.380 flat angles C4'-P-C4' energy: -147.743 flat angles P-C4'-P energy: -87.824 tors. eta vs tors. theta energy: -111.523 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: 7, replica: 9 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1483.526839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.526839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.526839 (E_RNA) where: Base-Base interactions energy: -940.391 where: short stacking energy: -441.217 Base-Backbone interact. energy: 5.193 local terms energy: -548.328206 where: bonds (distance) C4'-P energy: -123.274 bonds (distance) P-C4' energy: -141.567 flat angles C4'-P-C4' energy: -135.697 flat angles P-C4'-P energy: -74.173 tors. eta vs tors. theta energy: -73.618 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: 2 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1096.070119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.070119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.070119 (E_RNA) where: Base-Base interactions energy: -626.462 where: short stacking energy: -305.849 Base-Backbone interact. energy: 0.587 local terms energy: -470.195264 where: bonds (distance) C4'-P energy: -133.951 bonds (distance) P-C4' energy: -125.471 flat angles C4'-P-C4' energy: -107.170 flat angles P-C4'-P energy: -63.785 tors. eta vs tors. theta energy: -39.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -916.800687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.800687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.800687 (E_RNA) where: Base-Base interactions energy: -463.109 where: short stacking energy: -291.716 Base-Backbone interact. energy: -0.692 local terms energy: -452.999099 where: bonds (distance) C4'-P energy: -110.990 bonds (distance) P-C4' energy: -130.820 flat angles C4'-P-C4' energy: -108.671 flat angles P-C4'-P energy: -77.878 tors. eta vs tors. theta energy: -24.640 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: 5 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -773.195193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.195193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.195193 (E_RNA) where: Base-Base interactions energy: -386.390 where: short stacking energy: -214.030 Base-Backbone interact. energy: -3.115 local terms energy: -383.691000 where: bonds (distance) C4'-P energy: -116.136 bonds (distance) P-C4' energy: -122.036 flat angles C4'-P-C4' energy: -86.307 flat angles P-C4'-P energy: -60.727 tors. eta vs tors. theta energy: 1.515 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: 10 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2274.658947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.658947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.658947 (E_RNA) where: Base-Base interactions energy: -1503.657 where: short stacking energy: -713.757 Base-Backbone interact. energy: 1.102 local terms energy: -772.104361 where: bonds (distance) C4'-P energy: -148.513 bonds (distance) P-C4' energy: -145.932 flat angles C4'-P-C4' energy: -165.152 flat angles P-C4'-P energy: -114.857 tors. eta vs tors. theta energy: -197.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2180.635666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.635666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.635666 (E_RNA) where: Base-Base interactions energy: -1424.506 where: short stacking energy: -649.638 Base-Backbone interact. energy: -2.292 local terms energy: -753.838286 where: bonds (distance) C4'-P energy: -134.713 bonds (distance) P-C4' energy: -162.466 flat angles C4'-P-C4' energy: -155.168 flat angles P-C4'-P energy: -104.067 tors. eta vs tors. theta energy: -197.424 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: 3 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2092.191860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.191860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.191860 (E_RNA) where: Base-Base interactions energy: -1424.635 where: short stacking energy: -611.767 Base-Backbone interact. energy: -1.232 local terms energy: -666.325449 where: bonds (distance) C4'-P energy: -131.009 bonds (distance) P-C4' energy: -134.825 flat angles C4'-P-C4' energy: -163.479 flat angles P-C4'-P energy: -85.061 tors. eta vs tors. theta energy: -151.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1828.648796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.648796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.648796 (E_RNA) where: Base-Base interactions energy: -1145.579 where: short stacking energy: -600.777 Base-Backbone interact. energy: -3.310 local terms energy: -679.760231 where: bonds (distance) C4'-P energy: -146.721 bonds (distance) P-C4' energy: -133.601 flat angles C4'-P-C4' energy: -147.184 flat angles P-C4'-P energy: -98.243 tors. eta vs tors. theta energy: -154.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1846.137050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.137050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.137050 (E_RNA) where: Base-Base interactions energy: -1204.187 where: short stacking energy: -558.543 Base-Backbone interact. energy: 5.553 local terms energy: -647.502944 where: bonds (distance) C4'-P energy: -139.136 bonds (distance) P-C4' energy: -135.370 flat angles C4'-P-C4' energy: -138.518 flat angles P-C4'-P energy: -91.204 tors. eta vs tors. theta energy: -143.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1665.865982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.865982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.865982 (E_RNA) where: Base-Base interactions energy: -1038.842 where: short stacking energy: -483.967 Base-Backbone interact. energy: -0.209 local terms energy: -626.814960 where: bonds (distance) C4'-P energy: -116.620 bonds (distance) P-C4' energy: -138.308 flat angles C4'-P-C4' energy: -136.906 flat angles P-C4'-P energy: -101.352 tors. eta vs tors. theta energy: -133.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1465.581384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.581384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.581384 (E_RNA) where: Base-Base interactions energy: -912.144 where: short stacking energy: -423.575 Base-Backbone interact. energy: -1.563 local terms energy: -551.874267 where: bonds (distance) C4'-P energy: -130.542 bonds (distance) P-C4' energy: -121.963 flat angles C4'-P-C4' energy: -139.047 flat angles P-C4'-P energy: -94.409 tors. eta vs tors. theta energy: -65.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1074.481292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.481292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.481292 (E_RNA) where: Base-Base interactions energy: -611.792 where: short stacking energy: -326.198 Base-Backbone interact. energy: 1.899 local terms energy: -464.587825 where: bonds (distance) C4'-P energy: -124.806 bonds (distance) P-C4' energy: -135.339 flat angles C4'-P-C4' energy: -131.020 flat angles P-C4'-P energy: -43.116 tors. eta vs tors. theta energy: -30.308 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: 4 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -956.342510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.342510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.342510 (E_RNA) where: Base-Base interactions energy: -503.129 where: short stacking energy: -283.355 Base-Backbone interact. energy: 1.506 local terms energy: -454.719938 where: bonds (distance) C4'-P energy: -118.885 bonds (distance) P-C4' energy: -119.232 flat angles C4'-P-C4' energy: -134.572 flat angles P-C4'-P energy: -66.834 tors. eta vs tors. theta energy: -15.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -794.194798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.194798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.194798 (E_RNA) where: Base-Base interactions energy: -377.184 where: short stacking energy: -212.992 Base-Backbone interact. energy: -2.940 local terms energy: -414.070782 where: bonds (distance) C4'-P energy: -124.613 bonds (distance) P-C4' energy: -124.499 flat angles C4'-P-C4' energy: -102.600 flat angles P-C4'-P energy: -74.997 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: 10 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2273.666455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.666455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.666455 (E_RNA) where: Base-Base interactions energy: -1495.443 where: short stacking energy: -713.493 Base-Backbone interact. energy: -2.460 local terms energy: -775.763572 where: bonds (distance) C4'-P energy: -132.844 bonds (distance) P-C4' energy: -165.348 flat angles C4'-P-C4' energy: -170.051 flat angles P-C4'-P energy: -100.879 tors. eta vs tors. theta energy: -206.642 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: 3 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2190.472369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.472369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.472369 (E_RNA) where: Base-Base interactions energy: -1476.036 where: short stacking energy: -670.562 Base-Backbone interact. energy: -4.020 local terms energy: -710.415509 where: bonds (distance) C4'-P energy: -132.355 bonds (distance) P-C4' energy: -134.634 flat angles C4'-P-C4' energy: -170.027 flat angles P-C4'-P energy: -116.476 tors. eta vs tors. theta energy: -156.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2117.978449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.978449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.978449 (E_RNA) where: Base-Base interactions energy: -1395.781 where: short stacking energy: -650.761 Base-Backbone interact. energy: -3.241 local terms energy: -718.957010 where: bonds (distance) C4'-P energy: -148.834 bonds (distance) P-C4' energy: -139.961 flat angles C4'-P-C4' energy: -157.032 flat angles P-C4'-P energy: -94.726 tors. eta vs tors. theta energy: -178.404 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: 4, replica: 8 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2000.936383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.936383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.936383 (E_RNA) where: Base-Base interactions energy: -1328.445 where: short stacking energy: -614.625 Base-Backbone interact. energy: -2.635 local terms energy: -669.855628 where: bonds (distance) C4'-P energy: -133.074 bonds (distance) P-C4' energy: -135.158 flat angles C4'-P-C4' energy: -148.734 flat angles P-C4'-P energy: -92.288 tors. eta vs tors. theta energy: -160.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1750.296738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.296738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.296738 (E_RNA) where: Base-Base interactions energy: -1119.997 where: short stacking energy: -537.973 Base-Backbone interact. energy: -1.502 local terms energy: -628.797324 where: bonds (distance) C4'-P energy: -121.670 bonds (distance) P-C4' energy: -124.812 flat angles C4'-P-C4' energy: -144.835 flat angles P-C4'-P energy: -96.539 tors. eta vs tors. theta energy: -140.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1594.966457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.966457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.966457 (E_RNA) where: Base-Base interactions energy: -1001.408 where: short stacking energy: -471.466 Base-Backbone interact. energy: 0.105 local terms energy: -593.663610 where: bonds (distance) C4'-P energy: -126.949 bonds (distance) P-C4' energy: -138.488 flat angles C4'-P-C4' energy: -124.173 flat angles P-C4'-P energy: -78.156 tors. eta vs tors. theta energy: -125.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1506.065502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.065502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.065502 (E_RNA) where: Base-Base interactions energy: -938.206 where: short stacking energy: -416.998 Base-Backbone interact. energy: -2.689 local terms energy: -565.170675 where: bonds (distance) C4'-P energy: -136.365 bonds (distance) P-C4' energy: -142.769 flat angles C4'-P-C4' energy: -127.643 flat angles P-C4'-P energy: -81.751 tors. eta vs tors. theta energy: -76.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1124.189414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.189414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.189414 (E_RNA) where: Base-Base interactions energy: -631.473 where: short stacking energy: -341.985 Base-Backbone interact. energy: -3.422 local terms energy: -489.294240 where: bonds (distance) C4'-P energy: -121.338 bonds (distance) P-C4' energy: -120.854 flat angles C4'-P-C4' energy: -111.913 flat angles P-C4'-P energy: -80.615 tors. eta vs tors. theta energy: -54.574 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: 4 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -955.713928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.713928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.713928 (E_RNA) where: Base-Base interactions energy: -518.620 where: short stacking energy: -252.363 Base-Backbone interact. energy: -3.876 local terms energy: -433.217859 where: bonds (distance) C4'-P energy: -107.793 bonds (distance) P-C4' energy: -124.247 flat angles C4'-P-C4' energy: -108.041 flat angles P-C4'-P energy: -81.988 tors. eta vs tors. theta energy: -11.149 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: 5 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -745.545770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.545770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.545770 (E_RNA) where: Base-Base interactions energy: -388.809 where: short stacking energy: -202.258 Base-Backbone interact. energy: 1.443 local terms energy: -358.179108 where: bonds (distance) C4'-P energy: -104.204 bonds (distance) P-C4' energy: -111.317 flat angles C4'-P-C4' energy: -101.364 flat angles P-C4'-P energy: -52.844 tors. eta vs tors. theta energy: 11.551 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: 3 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2225.230549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.230549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.230549 (E_RNA) where: Base-Base interactions energy: -1480.290 where: short stacking energy: -665.975 Base-Backbone interact. energy: -2.490 local terms energy: -742.450828 where: bonds (distance) C4'-P energy: -146.245 bonds (distance) P-C4' energy: -149.138 flat angles C4'-P-C4' energy: -177.338 flat angles P-C4'-P energy: -94.523 tors. eta vs tors. theta energy: -175.207 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: 10 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2244.274449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.274449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.274449 (E_RNA) where: Base-Base interactions energy: -1495.188 where: short stacking energy: -705.112 Base-Backbone interact. energy: -1.224 local terms energy: -747.862704 where: bonds (distance) C4'-P energy: -151.546 bonds (distance) P-C4' energy: -139.097 flat angles C4'-P-C4' energy: -155.827 flat angles P-C4'-P energy: -104.705 tors. eta vs tors. theta energy: -196.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2093.261870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.261870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.261870 (E_RNA) where: Base-Base interactions energy: -1388.917 where: short stacking energy: -656.457 Base-Backbone interact. energy: -1.112 local terms energy: -703.233203 where: bonds (distance) C4'-P energy: -137.390 bonds (distance) P-C4' energy: -142.908 flat angles C4'-P-C4' energy: -162.315 flat angles P-C4'-P energy: -78.897 tors. eta vs tors. theta energy: -181.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2044.621789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.621789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.621789 (E_RNA) where: Base-Base interactions energy: -1336.743 where: short stacking energy: -622.138 Base-Backbone interact. energy: -2.693 local terms energy: -705.185510 where: bonds (distance) C4'-P energy: -139.313 bonds (distance) P-C4' energy: -137.740 flat angles C4'-P-C4' energy: -162.657 flat angles P-C4'-P energy: -104.077 tors. eta vs tors. theta energy: -161.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1765.236000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.236000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.236000 (E_RNA) where: Base-Base interactions energy: -1166.183 where: short stacking energy: -543.628 Base-Backbone interact. energy: 1.048 local terms energy: -600.100838 where: bonds (distance) C4'-P energy: -139.887 bonds (distance) P-C4' energy: -126.010 flat angles C4'-P-C4' energy: -141.393 flat angles P-C4'-P energy: -67.842 tors. eta vs tors. theta energy: -124.969 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: 6 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1599.268771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.268771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.268771 (E_RNA) where: Base-Base interactions energy: -1017.275 where: short stacking energy: -475.223 Base-Backbone interact. energy: -0.135 local terms energy: -581.858642 where: bonds (distance) C4'-P energy: -132.895 bonds (distance) P-C4' energy: -128.598 flat angles C4'-P-C4' energy: -120.150 flat angles P-C4'-P energy: -87.896 tors. eta vs tors. theta energy: -112.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1441.268716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.268716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.268716 (E_RNA) where: Base-Base interactions energy: -886.164 where: short stacking energy: -414.953 Base-Backbone interact. energy: -0.520 local terms energy: -554.584182 where: bonds (distance) C4'-P energy: -127.021 bonds (distance) P-C4' energy: -126.622 flat angles C4'-P-C4' energy: -135.370 flat angles P-C4'-P energy: -90.827 tors. eta vs tors. theta energy: -74.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1055.626121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.626121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.626121 (E_RNA) where: Base-Base interactions energy: -620.309 where: short stacking energy: -304.413 Base-Backbone interact. energy: 1.137 local terms energy: -436.453985 where: bonds (distance) C4'-P energy: -129.891 bonds (distance) P-C4' energy: -113.012 flat angles C4'-P-C4' energy: -110.114 flat angles P-C4'-P energy: -57.661 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: 9, replica: 4 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -870.337424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.337424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.337424 (E_RNA) where: Base-Base interactions energy: -483.182 where: short stacking energy: -265.350 Base-Backbone interact. energy: 0.624 local terms energy: -387.779729 where: bonds (distance) C4'-P energy: -94.102 bonds (distance) P-C4' energy: -123.650 flat angles C4'-P-C4' energy: -100.935 flat angles P-C4'-P energy: -64.364 tors. eta vs tors. theta energy: -4.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -792.080279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.080279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.080279 (E_RNA) where: Base-Base interactions energy: -365.124 where: short stacking energy: -213.118 Base-Backbone interact. energy: 3.163 local terms energy: -430.118453 where: bonds (distance) C4'-P energy: -113.903 bonds (distance) P-C4' energy: -122.483 flat angles C4'-P-C4' energy: -129.912 flat angles P-C4'-P energy: -61.746 tors. eta vs tors. theta energy: -2.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2272.491329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.491329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.491329 (E_RNA) where: Base-Base interactions energy: -1506.413 where: short stacking energy: -695.890 Base-Backbone interact. energy: -0.849 local terms energy: -765.228710 where: bonds (distance) C4'-P energy: -141.221 bonds (distance) P-C4' energy: -151.630 flat angles C4'-P-C4' energy: -159.263 flat angles P-C4'-P energy: -116.944 tors. eta vs tors. theta energy: -196.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2212.117721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.117721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.117721 (E_RNA) where: Base-Base interactions energy: -1481.333 where: short stacking energy: -700.333 Base-Backbone interact. energy: -1.988 local terms energy: -728.796544 where: bonds (distance) C4'-P energy: -136.038 bonds (distance) P-C4' energy: -156.583 flat angles C4'-P-C4' energy: -155.503 flat angles P-C4'-P energy: -94.898 tors. eta vs tors. theta energy: -185.774 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: 1 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2090.434565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.434565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.434565 (E_RNA) where: Base-Base interactions energy: -1370.089 where: short stacking energy: -636.695 Base-Backbone interact. energy: -2.554 local terms energy: -717.791488 where: bonds (distance) C4'-P energy: -130.461 bonds (distance) P-C4' energy: -153.785 flat angles C4'-P-C4' energy: -157.057 flat angles P-C4'-P energy: -98.191 tors. eta vs tors. theta energy: -178.298 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: 51 Temperature: 1.050000 Total energy: -2087.813572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.813572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.813572 (E_RNA) where: Base-Base interactions energy: -1384.641 where: short stacking energy: -647.040 Base-Backbone interact. energy: -0.352 local terms energy: -702.821144 where: bonds (distance) C4'-P energy: -135.367 bonds (distance) P-C4' energy: -136.601 flat angles C4'-P-C4' energy: -157.249 flat angles P-C4'-P energy: -100.112 tors. eta vs tors. theta energy: -173.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1823.239135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.239135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.239135 (E_RNA) where: Base-Base interactions energy: -1160.992 where: short stacking energy: -540.597 Base-Backbone interact. energy: -3.034 local terms energy: -659.213390 where: bonds (distance) C4'-P energy: -129.186 bonds (distance) P-C4' energy: -144.547 flat angles C4'-P-C4' energy: -132.081 flat angles P-C4'-P energy: -101.590 tors. eta vs tors. theta energy: -151.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1576.496184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.496184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.496184 (E_RNA) where: Base-Base interactions energy: -981.267 where: short stacking energy: -438.122 Base-Backbone interact. energy: -2.701 local terms energy: -592.528285 where: bonds (distance) C4'-P energy: -142.684 bonds (distance) P-C4' energy: -115.232 flat angles C4'-P-C4' energy: -145.162 flat angles P-C4'-P energy: -84.816 tors. eta vs tors. theta energy: -104.635 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: 7, replica: 9 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1486.431499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.431499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.431499 (E_RNA) where: Base-Base interactions energy: -924.687 where: short stacking energy: -451.383 Base-Backbone interact. energy: 1.504 local terms energy: -563.248119 where: bonds (distance) C4'-P energy: -109.978 bonds (distance) P-C4' energy: -127.134 flat angles C4'-P-C4' energy: -137.336 flat angles P-C4'-P energy: -90.045 tors. eta vs tors. theta energy: -98.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1110.883801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.883801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.883801 (E_RNA) where: Base-Base interactions energy: -614.210 where: short stacking energy: -335.773 Base-Backbone interact. energy: -4.092 local terms energy: -492.581241 where: bonds (distance) C4'-P energy: -121.047 bonds (distance) P-C4' energy: -126.340 flat angles C4'-P-C4' energy: -112.057 flat angles P-C4'-P energy: -76.786 tors. eta vs tors. theta energy: -56.351 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: 4 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -855.136985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.136985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.136985 (E_RNA) where: Base-Base interactions energy: -399.613 where: short stacking energy: -231.365 Base-Backbone interact. energy: -4.153 local terms energy: -451.370897 where: bonds (distance) C4'-P energy: -123.678 bonds (distance) P-C4' energy: -122.762 flat angles C4'-P-C4' energy: -111.287 flat angles P-C4'-P energy: -82.857 tors. eta vs tors. theta energy: -10.786 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: 5 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -908.684096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.684096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.684096 (E_RNA) where: Base-Base interactions energy: -516.116 where: short stacking energy: -291.221 Base-Backbone interact. energy: 2.585 local terms energy: -395.152446 where: bonds (distance) C4'-P energy: -88.399 bonds (distance) P-C4' energy: -130.625 flat angles C4'-P-C4' energy: -112.833 flat angles P-C4'-P energy: -52.935 tors. eta vs tors. theta energy: -10.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2305.961796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.961796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.961796 (E_RNA) where: Base-Base interactions energy: -1515.399 where: short stacking energy: -695.654 Base-Backbone interact. energy: -5.357 local terms energy: -785.205462 where: bonds (distance) C4'-P energy: -157.359 bonds (distance) P-C4' energy: -145.818 flat angles C4'-P-C4' energy: -176.465 flat angles P-C4'-P energy: -105.916 tors. eta vs tors. theta energy: -199.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2222.696392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.696392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.696392 (E_RNA) where: Base-Base interactions energy: -1454.058 where: short stacking energy: -669.929 Base-Backbone interact. energy: -2.899 local terms energy: -765.738690 where: bonds (distance) C4'-P energy: -149.694 bonds (distance) P-C4' energy: -150.596 flat angles C4'-P-C4' energy: -170.796 flat angles P-C4'-P energy: -101.584 tors. eta vs tors. theta energy: -193.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2133.404294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.404294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.404294 (E_RNA) where: Base-Base interactions energy: -1431.862 where: short stacking energy: -655.677 Base-Backbone interact. energy: -1.938 local terms energy: -699.603788 where: bonds (distance) C4'-P energy: -128.335 bonds (distance) P-C4' energy: -136.564 flat angles C4'-P-C4' energy: -165.802 flat angles P-C4'-P energy: -99.653 tors. eta vs tors. theta energy: -169.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1989.020626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.020626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.020626 (E_RNA) where: Base-Base interactions energy: -1301.911 where: short stacking energy: -627.982 Base-Backbone interact. energy: 0.694 local terms energy: -687.803588 where: bonds (distance) C4'-P energy: -120.560 bonds (distance) P-C4' energy: -147.254 flat angles C4'-P-C4' energy: -154.949 flat angles P-C4'-P energy: -96.719 tors. eta vs tors. theta energy: -168.322 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: 5, replica: 7 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1769.294913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.294913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.294913 (E_RNA) where: Base-Base interactions energy: -1144.551 where: short stacking energy: -538.584 Base-Backbone interact. energy: -3.608 local terms energy: -621.135938 where: bonds (distance) C4'-P energy: -125.762 bonds (distance) P-C4' energy: -128.038 flat angles C4'-P-C4' energy: -140.623 flat angles P-C4'-P energy: -91.670 tors. eta vs tors. theta energy: -135.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1549.759624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.759624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.759624 (E_RNA) where: Base-Base interactions energy: -991.090 where: short stacking energy: -476.293 Base-Backbone interact. energy: 4.615 local terms energy: -563.284651 where: bonds (distance) C4'-P energy: -109.119 bonds (distance) P-C4' energy: -131.322 flat angles C4'-P-C4' energy: -132.720 flat angles P-C4'-P energy: -87.817 tors. eta vs tors. theta energy: -102.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1518.978363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.978363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.978363 (E_RNA) where: Base-Base interactions energy: -933.076 where: short stacking energy: -443.537 Base-Backbone interact. energy: -3.592 local terms energy: -582.310045 where: bonds (distance) C4'-P energy: -122.164 bonds (distance) P-C4' energy: -136.169 flat angles C4'-P-C4' energy: -140.774 flat angles P-C4'-P energy: -80.630 tors. eta vs tors. theta energy: -102.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1152.147877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.147877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.147877 (E_RNA) where: Base-Base interactions energy: -650.880 where: short stacking energy: -346.860 Base-Backbone interact. energy: 4.080 local terms energy: -505.347728 where: bonds (distance) C4'-P energy: -114.453 bonds (distance) P-C4' energy: -129.830 flat angles C4'-P-C4' energy: -125.054 flat angles P-C4'-P energy: -62.672 tors. eta vs tors. theta energy: -73.338 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: 5 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -959.484453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.484453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.484453 (E_RNA) where: Base-Base interactions energy: -528.387 where: short stacking energy: -279.361 Base-Backbone interact. energy: -3.066 local terms energy: -428.031316 where: bonds (distance) C4'-P energy: -115.145 bonds (distance) P-C4' energy: -111.261 flat angles C4'-P-C4' energy: -121.899 flat angles P-C4'-P energy: -57.129 tors. eta vs tors. theta energy: -22.596 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: 52 Temperature: 1.350000 Total energy: -785.832870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.832870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.832870 (E_RNA) where: Base-Base interactions energy: -411.054 where: short stacking energy: -221.768 Base-Backbone interact. energy: -1.102 local terms energy: -373.676085 where: bonds (distance) C4'-P energy: -74.449 bonds (distance) P-C4' energy: -128.405 flat angles C4'-P-C4' energy: -102.585 flat angles P-C4'-P energy: -69.723 tors. eta vs tors. theta energy: 1.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2298.664716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.664716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.664716 (E_RNA) where: Base-Base interactions energy: -1525.494 where: short stacking energy: -689.834 Base-Backbone interact. energy: -4.170 local terms energy: -769.001172 where: bonds (distance) C4'-P energy: -136.604 bonds (distance) P-C4' energy: -150.031 flat angles C4'-P-C4' energy: -162.271 flat angles P-C4'-P energy: -118.874 tors. eta vs tors. theta energy: -201.222 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: 2, replica: 10 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2241.536977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.536977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.536977 (E_RNA) where: Base-Base interactions energy: -1507.939 where: short stacking energy: -674.235 Base-Backbone interact. energy: -1.640 local terms energy: -731.957665 where: bonds (distance) C4'-P energy: -141.462 bonds (distance) P-C4' energy: -149.387 flat angles C4'-P-C4' energy: -161.302 flat angles P-C4'-P energy: -98.127 tors. eta vs tors. theta energy: -181.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2186.810543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.810543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.810543 (E_RNA) where: Base-Base interactions energy: -1437.979 where: short stacking energy: -670.611 Base-Backbone interact. energy: -2.213 local terms energy: -746.618620 where: bonds (distance) C4'-P energy: -140.954 bonds (distance) P-C4' energy: -144.456 flat angles C4'-P-C4' energy: -159.294 flat angles P-C4'-P energy: -105.909 tors. eta vs tors. theta energy: -196.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2039.396097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.396097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.396097 (E_RNA) where: Base-Base interactions energy: -1328.862 where: short stacking energy: -599.563 Base-Backbone interact. energy: -1.833 local terms energy: -708.701339 where: bonds (distance) C4'-P energy: -146.627 bonds (distance) P-C4' energy: -120.484 flat angles C4'-P-C4' energy: -157.836 flat angles P-C4'-P energy: -116.807 tors. eta vs tors. theta energy: -166.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1717.052133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.052133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.052133 (E_RNA) where: Base-Base interactions energy: -1123.624 where: short stacking energy: -511.011 Base-Backbone interact. energy: -0.166 local terms energy: -593.262603 where: bonds (distance) C4'-P energy: -120.970 bonds (distance) P-C4' energy: -133.005 flat angles C4'-P-C4' energy: -141.453 flat angles P-C4'-P energy: -90.846 tors. eta vs tors. theta energy: -106.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1564.175673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.175673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.175673 (E_RNA) where: Base-Base interactions energy: -983.181 where: short stacking energy: -451.734 Base-Backbone interact. energy: 1.668 local terms energy: -582.663067 where: bonds (distance) C4'-P energy: -115.272 bonds (distance) P-C4' energy: -142.352 flat angles C4'-P-C4' energy: -143.025 flat angles P-C4'-P energy: -80.435 tors. eta vs tors. theta energy: -101.579 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: 7, replica: 9 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1457.266006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.266006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.266006 (E_RNA) where: Base-Base interactions energy: -913.825 where: short stacking energy: -437.347 Base-Backbone interact. energy: 0.415 local terms energy: -543.855975 where: bonds (distance) C4'-P energy: -113.688 bonds (distance) P-C4' energy: -112.664 flat angles C4'-P-C4' energy: -138.626 flat angles P-C4'-P energy: -85.542 tors. eta vs tors. theta energy: -93.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1114.984524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.984524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.984524 (E_RNA) where: Base-Base interactions energy: -636.587 where: short stacking energy: -314.470 Base-Backbone interact. energy: -1.089 local terms energy: -477.308856 where: bonds (distance) C4'-P energy: -107.257 bonds (distance) P-C4' energy: -133.956 flat angles C4'-P-C4' energy: -117.806 flat angles P-C4'-P energy: -70.456 tors. eta vs tors. theta energy: -47.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -902.175072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.175072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.175072 (E_RNA) where: Base-Base interactions energy: -467.839 where: short stacking energy: -250.172 Base-Backbone interact. energy: 0.873 local terms energy: -435.209486 where: bonds (distance) C4'-P energy: -110.246 bonds (distance) P-C4' energy: -123.447 flat angles C4'-P-C4' energy: -116.485 flat angles P-C4'-P energy: -57.144 tors. eta vs tors. theta energy: -27.887 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: 10, replica: 4 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -775.715967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.715967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.715967 (E_RNA) where: Base-Base interactions energy: -402.402 where: short stacking energy: -211.453 Base-Backbone interact. energy: -0.424 local terms energy: -372.889732 where: bonds (distance) C4'-P energy: -88.372 bonds (distance) P-C4' energy: -129.113 flat angles C4'-P-C4' energy: -114.413 flat angles P-C4'-P energy: -51.369 tors. eta vs tors. theta energy: 10.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2328.997875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.997875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.997875 (E_RNA) where: Base-Base interactions energy: -1572.088 where: short stacking energy: -727.175 Base-Backbone interact. energy: -5.854 local terms energy: -751.056160 where: bonds (distance) C4'-P energy: -154.753 bonds (distance) P-C4' energy: -147.850 flat angles C4'-P-C4' energy: -163.105 flat angles P-C4'-P energy: -102.155 tors. eta vs tors. theta energy: -183.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2233.052432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.052432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.052432 (E_RNA) where: Base-Base interactions energy: -1462.505 where: short stacking energy: -647.315 Base-Backbone interact. energy: -0.845 local terms energy: -769.702015 where: bonds (distance) C4'-P energy: -151.273 bonds (distance) P-C4' energy: -149.644 flat angles C4'-P-C4' energy: -173.180 flat angles P-C4'-P energy: -107.412 tors. eta vs tors. theta energy: -188.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2170.758216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.758216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.758216 (E_RNA) where: Base-Base interactions energy: -1441.832 where: short stacking energy: -669.967 Base-Backbone interact. energy: -1.413 local terms energy: -727.513540 where: bonds (distance) C4'-P energy: -135.909 bonds (distance) P-C4' energy: -154.926 flat angles C4'-P-C4' energy: -143.223 flat angles P-C4'-P energy: -107.700 tors. eta vs tors. theta energy: -185.754 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: 4, replica: 1 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2022.511335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.511335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.511335 (E_RNA) where: Base-Base interactions energy: -1350.631 where: short stacking energy: -602.237 Base-Backbone interact. energy: 2.700 local terms energy: -674.580287 where: bonds (distance) C4'-P energy: -119.063 bonds (distance) P-C4' energy: -139.508 flat angles C4'-P-C4' energy: -140.621 flat angles P-C4'-P energy: -105.099 tors. eta vs tors. theta energy: -170.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1727.162754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.162754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.162754 (E_RNA) where: Base-Base interactions energy: -1134.025 where: short stacking energy: -511.819 Base-Backbone interact. energy: 0.662 local terms energy: -593.799664 where: bonds (distance) C4'-P energy: -130.511 bonds (distance) P-C4' energy: -119.516 flat angles C4'-P-C4' energy: -136.194 flat angles P-C4'-P energy: -95.851 tors. eta vs tors. theta energy: -111.728 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: 54 Temperature: 1.150000 Total energy: -1664.923307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.923307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.923307 (E_RNA) where: Base-Base interactions energy: -1068.433 where: short stacking energy: -511.172 Base-Backbone interact. energy: 1.795 local terms energy: -598.285135 where: bonds (distance) C4'-P energy: -138.138 bonds (distance) P-C4' energy: -117.433 flat angles C4'-P-C4' energy: -134.369 flat angles P-C4'-P energy: -92.676 tors. eta vs tors. theta energy: -115.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1458.855481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.855481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.855481 (E_RNA) where: Base-Base interactions energy: -902.435 where: short stacking energy: -475.278 Base-Backbone interact. energy: -0.440 local terms energy: -555.980406 where: bonds (distance) C4'-P energy: -130.623 bonds (distance) P-C4' energy: -110.823 flat angles C4'-P-C4' energy: -121.797 flat angles P-C4'-P energy: -77.974 tors. eta vs tors. theta energy: -114.763 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: 8, replica: 2 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1154.414742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.414742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.414742 (E_RNA) where: Base-Base interactions energy: -669.233 where: short stacking energy: -309.222 Base-Backbone interact. energy: -1.162 local terms energy: -484.019517 where: bonds (distance) C4'-P energy: -117.722 bonds (distance) P-C4' energy: -116.261 flat angles C4'-P-C4' energy: -108.119 flat angles P-C4'-P energy: -79.100 tors. eta vs tors. theta energy: -62.817 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: 5 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -903.233630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.233630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.233630 (E_RNA) where: Base-Base interactions energy: -476.737 where: short stacking energy: -283.500 Base-Backbone interact. energy: -0.922 local terms energy: -425.574618 where: bonds (distance) C4'-P energy: -108.409 bonds (distance) P-C4' energy: -126.360 flat angles C4'-P-C4' energy: -106.990 flat angles P-C4'-P energy: -56.445 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: 10, replica: 4 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -811.191885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.191885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.191885 (E_RNA) where: Base-Base interactions energy: -415.469 where: short stacking energy: -248.746 Base-Backbone interact. energy: 0.801 local terms energy: -396.523382 where: bonds (distance) C4'-P energy: -112.381 bonds (distance) P-C4' energy: -118.848 flat angles C4'-P-C4' energy: -103.273 flat angles P-C4'-P energy: -52.272 tors. eta vs tors. theta energy: -9.749 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: 3 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2292.721856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.721856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.721856 (E_RNA) where: Base-Base interactions energy: -1537.967 where: short stacking energy: -703.816 Base-Backbone interact. energy: -6.941 local terms energy: -747.814329 where: bonds (distance) C4'-P energy: -124.612 bonds (distance) P-C4' energy: -147.891 flat angles C4'-P-C4' energy: -160.679 flat angles P-C4'-P energy: -112.738 tors. eta vs tors. theta energy: -201.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2219.907834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.907834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.907834 (E_RNA) where: Base-Base interactions energy: -1467.234 where: short stacking energy: -665.393 Base-Backbone interact. energy: 0.180 local terms energy: -752.853826 where: bonds (distance) C4'-P energy: -156.904 bonds (distance) P-C4' energy: -139.197 flat angles C4'-P-C4' energy: -162.307 flat angles P-C4'-P energy: -104.754 tors. eta vs tors. theta energy: -189.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2200.691333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.691333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.691333 (E_RNA) where: Base-Base interactions energy: -1442.261 where: short stacking energy: -659.907 Base-Backbone interact. energy: -4.413 local terms energy: -754.016984 where: bonds (distance) C4'-P energy: -134.820 bonds (distance) P-C4' energy: -142.995 flat angles C4'-P-C4' energy: -165.862 flat angles P-C4'-P energy: -109.001 tors. eta vs tors. theta energy: -201.340 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: 4, replica: 1 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2054.432016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.432016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.432016 (E_RNA) where: Base-Base interactions energy: -1329.271 where: short stacking energy: -612.231 Base-Backbone interact. energy: -1.419 local terms energy: -723.742270 where: bonds (distance) C4'-P energy: -148.667 bonds (distance) P-C4' energy: -141.571 flat angles C4'-P-C4' energy: -166.583 flat angles P-C4'-P energy: -96.013 tors. eta vs tors. theta energy: -170.909 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: 6 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1713.995296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.995296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.995296 (E_RNA) where: Base-Base interactions energy: -1088.845 where: short stacking energy: -491.802 Base-Backbone interact. energy: -2.238 local terms energy: -622.912061 where: bonds (distance) C4'-P energy: -125.105 bonds (distance) P-C4' energy: -136.615 flat angles C4'-P-C4' energy: -147.372 flat angles P-C4'-P energy: -94.769 tors. eta vs tors. theta energy: -119.050 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: 7 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1701.874071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.874071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.874071 (E_RNA) where: Base-Base interactions energy: -1099.254 where: short stacking energy: -516.195 Base-Backbone interact. energy: -1.369 local terms energy: -601.251473 where: bonds (distance) C4'-P energy: -125.100 bonds (distance) P-C4' energy: -134.925 flat angles C4'-P-C4' energy: -142.362 flat angles P-C4'-P energy: -81.503 tors. eta vs tors. theta energy: -117.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1451.293905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.293905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.293905 (E_RNA) where: Base-Base interactions energy: -875.483 where: short stacking energy: -425.839 Base-Backbone interact. energy: 0.038 local terms energy: -575.848936 where: bonds (distance) C4'-P energy: -140.771 bonds (distance) P-C4' energy: -136.828 flat angles C4'-P-C4' energy: -134.869 flat angles P-C4'-P energy: -61.069 tors. eta vs tors. theta energy: -102.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1277.753274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.753274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.753274 (E_RNA) where: Base-Base interactions energy: -809.283 where: short stacking energy: -367.639 Base-Backbone interact. energy: -1.963 local terms energy: -466.506734 where: bonds (distance) C4'-P energy: -118.824 bonds (distance) P-C4' energy: -120.607 flat angles C4'-P-C4' energy: -111.974 flat angles P-C4'-P energy: -58.172 tors. eta vs tors. theta energy: -56.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -850.114211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.114211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.114211 (E_RNA) where: Base-Base interactions energy: -427.851 where: short stacking energy: -236.326 Base-Backbone interact. energy: 4.605 local terms energy: -426.867674 where: bonds (distance) C4'-P energy: -123.610 bonds (distance) P-C4' energy: -119.814 flat angles C4'-P-C4' energy: -114.509 flat angles P-C4'-P energy: -66.233 tors. eta vs tors. theta energy: -2.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -826.098051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.098051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.098051 (E_RNA) where: Base-Base interactions energy: -405.637 where: short stacking energy: -221.136 Base-Backbone interact. energy: 8.741 local terms energy: -429.202272 where: bonds (distance) C4'-P energy: -138.746 bonds (distance) P-C4' energy: -120.465 flat angles C4'-P-C4' energy: -102.107 flat angles P-C4'-P energy: -72.798 tors. eta vs tors. theta energy: 4.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2302.858685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.858685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.858685 (E_RNA) where: Base-Base interactions energy: -1535.952 where: short stacking energy: -717.767 Base-Backbone interact. energy: -1.960 local terms energy: -764.946022 where: bonds (distance) C4'-P energy: -136.462 bonds (distance) P-C4' energy: -150.765 flat angles C4'-P-C4' energy: -163.556 flat angles P-C4'-P energy: -115.593 tors. eta vs tors. theta energy: -198.569 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: 56 Temperature: 0.950000 Total energy: -2226.086504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.086504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.086504 (E_RNA) where: Base-Base interactions energy: -1468.684 where: short stacking energy: -691.146 Base-Backbone interact. energy: -3.346 local terms energy: -754.056457 where: bonds (distance) C4'-P energy: -150.602 bonds (distance) P-C4' energy: -138.344 flat angles C4'-P-C4' energy: -166.060 flat angles P-C4'-P energy: -92.202 tors. eta vs tors. theta energy: -206.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2234.626876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.626876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.626876 (E_RNA) where: Base-Base interactions energy: -1469.139 where: short stacking energy: -668.885 Base-Backbone interact. energy: -2.960 local terms energy: -762.527256 where: bonds (distance) C4'-P energy: -142.012 bonds (distance) P-C4' energy: -146.884 flat angles C4'-P-C4' energy: -171.302 flat angles P-C4'-P energy: -118.751 tors. eta vs tors. theta energy: -183.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2086.364081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.364081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.364081 (E_RNA) where: Base-Base interactions energy: -1370.495 where: short stacking energy: -626.717 Base-Backbone interact. energy: -1.528 local terms energy: -714.341070 where: bonds (distance) C4'-P energy: -146.998 bonds (distance) P-C4' energy: -128.479 flat angles C4'-P-C4' energy: -161.410 flat angles P-C4'-P energy: -96.932 tors. eta vs tors. theta energy: -180.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1792.955472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.955472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.955472 (E_RNA) where: Base-Base interactions energy: -1159.774 where: short stacking energy: -547.692 Base-Backbone interact. energy: -3.774 local terms energy: -629.407316 where: bonds (distance) C4'-P energy: -125.242 bonds (distance) P-C4' energy: -130.779 flat angles C4'-P-C4' energy: -137.647 flat angles P-C4'-P energy: -96.997 tors. eta vs tors. theta energy: -138.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1695.585026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.585026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.585026 (E_RNA) where: Base-Base interactions energy: -1078.499 where: short stacking energy: -497.796 Base-Backbone interact. energy: 2.572 local terms energy: -619.658383 where: bonds (distance) C4'-P energy: -140.953 bonds (distance) P-C4' energy: -135.201 flat angles C4'-P-C4' energy: -136.365 flat angles P-C4'-P energy: -97.020 tors. eta vs tors. theta energy: -110.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1485.049171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.049171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.049171 (E_RNA) where: Base-Base interactions energy: -946.640 where: short stacking energy: -449.426 Base-Backbone interact. energy: -1.563 local terms energy: -536.846509 where: bonds (distance) C4'-P energy: -108.105 bonds (distance) P-C4' energy: -119.675 flat angles C4'-P-C4' energy: -117.025 flat angles P-C4'-P energy: -88.735 tors. eta vs tors. theta energy: -103.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1219.469017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.469017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.469017 (E_RNA) where: Base-Base interactions energy: -721.930 where: short stacking energy: -339.476 Base-Backbone interact. energy: -3.497 local terms energy: -494.041731 where: bonds (distance) C4'-P energy: -125.449 bonds (distance) P-C4' energy: -129.321 flat angles C4'-P-C4' energy: -118.168 flat angles P-C4'-P energy: -78.359 tors. eta vs tors. theta energy: -42.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -906.718268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.718268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.718268 (E_RNA) where: Base-Base interactions energy: -448.924 where: short stacking energy: -256.171 Base-Backbone interact. energy: 0.806 local terms energy: -458.600393 where: bonds (distance) C4'-P energy: -123.132 bonds (distance) P-C4' energy: -137.066 flat angles C4'-P-C4' energy: -113.800 flat angles P-C4'-P energy: -57.380 tors. eta vs tors. theta energy: -27.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -844.728375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.728375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.728375 (E_RNA) where: Base-Base interactions energy: -433.704 where: short stacking energy: -242.585 Base-Backbone interact. energy: 2.357 local terms energy: -413.382255 where: bonds (distance) C4'-P energy: -115.592 bonds (distance) P-C4' energy: -132.187 flat angles C4'-P-C4' energy: -105.353 flat angles P-C4'-P energy: -55.388 tors. eta vs tors. theta energy: -4.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2332.737616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.737616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.737616 (E_RNA) where: Base-Base interactions energy: -1556.683 where: short stacking energy: -725.305 Base-Backbone interact. energy: -1.764 local terms energy: -774.290147 where: bonds (distance) C4'-P energy: -150.837 bonds (distance) P-C4' energy: -136.951 flat angles C4'-P-C4' energy: -172.050 flat angles P-C4'-P energy: -111.181 tors. eta vs tors. theta energy: -203.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2175.294821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.294821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.294821 (E_RNA) where: Base-Base interactions energy: -1444.583 where: short stacking energy: -659.409 Base-Backbone interact. energy: -3.025 local terms energy: -727.686661 where: bonds (distance) C4'-P energy: -147.241 bonds (distance) P-C4' energy: -142.653 flat angles C4'-P-C4' energy: -150.004 flat angles P-C4'-P energy: -101.682 tors. eta vs tors. theta energy: -186.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2156.838892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.838892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.838892 (E_RNA) where: Base-Base interactions energy: -1428.143 where: short stacking energy: -693.253 Base-Backbone interact. energy: -0.871 local terms energy: -727.824916 where: bonds (distance) C4'-P energy: -133.107 bonds (distance) P-C4' energy: -139.070 flat angles C4'-P-C4' energy: -162.711 flat angles P-C4'-P energy: -99.674 tors. eta vs tors. theta energy: -193.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2097.170086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.170086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.170086 (E_RNA) where: Base-Base interactions energy: -1380.843 where: short stacking energy: -642.912 Base-Backbone interact. energy: -1.481 local terms energy: -714.846456 where: bonds (distance) C4'-P energy: -133.287 bonds (distance) P-C4' energy: -141.171 flat angles C4'-P-C4' energy: -153.457 flat angles P-C4'-P energy: -107.075 tors. eta vs tors. theta energy: -179.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1823.791950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.791950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.791950 (E_RNA) where: Base-Base interactions energy: -1165.573 where: short stacking energy: -542.498 Base-Backbone interact. energy: -0.279 local terms energy: -657.939897 where: bonds (distance) C4'-P energy: -123.540 bonds (distance) P-C4' energy: -141.599 flat angles C4'-P-C4' energy: -151.202 flat angles P-C4'-P energy: -94.344 tors. eta vs tors. theta energy: -147.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1722.765117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.765117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.765117 (E_RNA) where: Base-Base interactions energy: -1112.538 where: short stacking energy: -499.862 Base-Backbone interact. energy: -2.668 local terms energy: -607.558761 where: bonds (distance) C4'-P energy: -141.949 bonds (distance) P-C4' energy: -124.038 flat angles C4'-P-C4' energy: -121.585 flat angles P-C4'-P energy: -92.977 tors. eta vs tors. theta energy: -127.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1492.439196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.439196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.439196 (E_RNA) where: Base-Base interactions energy: -927.890 where: short stacking energy: -462.035 Base-Backbone interact. energy: 1.525 local terms energy: -566.073880 where: bonds (distance) C4'-P energy: -122.251 bonds (distance) P-C4' energy: -124.828 flat angles C4'-P-C4' energy: -128.611 flat angles P-C4'-P energy: -89.355 tors. eta vs tors. theta energy: -101.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1214.974959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.974959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.974959 (E_RNA) where: Base-Base interactions energy: -720.812 where: short stacking energy: -360.387 Base-Backbone interact. energy: -3.873 local terms energy: -490.289549 where: bonds (distance) C4'-P energy: -106.532 bonds (distance) P-C4' energy: -131.240 flat angles C4'-P-C4' energy: -113.364 flat angles P-C4'-P energy: -66.894 tors. eta vs tors. theta energy: -72.260 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: 9, replica: 5 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -932.978261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.978261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.978261 (E_RNA) where: Base-Base interactions energy: -486.253 where: short stacking energy: -274.539 Base-Backbone interact. energy: -0.924 local terms energy: -445.800591 where: bonds (distance) C4'-P energy: -107.125 bonds (distance) P-C4' energy: -119.741 flat angles C4'-P-C4' energy: -110.480 flat angles P-C4'-P energy: -83.972 tors. eta vs tors. theta energy: -24.483 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: 57 Temperature: 1.350000 Total energy: -849.787276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.787276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.787276 (E_RNA) where: Base-Base interactions energy: -482.844 where: short stacking energy: -240.763 Base-Backbone interact. energy: -2.487 local terms energy: -364.455658 where: bonds (distance) C4'-P energy: -99.872 bonds (distance) P-C4' energy: -119.556 flat angles C4'-P-C4' energy: -99.819 flat angles P-C4'-P energy: -55.201 tors. eta vs tors. theta energy: 9.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2301.431169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.431169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.431169 (E_RNA) where: Base-Base interactions energy: -1535.470 where: short stacking energy: -706.500 Base-Backbone interact. energy: 1.746 local terms energy: -767.707184 where: bonds (distance) C4'-P energy: -136.339 bonds (distance) P-C4' energy: -151.111 flat angles C4'-P-C4' energy: -155.547 flat angles P-C4'-P energy: -121.423 tors. eta vs tors. theta energy: -203.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2242.868321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.868321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.868321 (E_RNA) where: Base-Base interactions energy: -1464.383 where: short stacking energy: -663.639 Base-Backbone interact. energy: -3.841 local terms energy: -774.643894 where: bonds (distance) C4'-P energy: -151.307 bonds (distance) P-C4' energy: -151.267 flat angles C4'-P-C4' energy: -165.590 flat angles P-C4'-P energy: -107.569 tors. eta vs tors. theta energy: -198.911 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: 8 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2171.197898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.197898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.197898 (E_RNA) where: Base-Base interactions energy: -1447.721 where: short stacking energy: -680.109 Base-Backbone interact. energy: -4.012 local terms energy: -719.464993 where: bonds (distance) C4'-P energy: -134.507 bonds (distance) P-C4' energy: -123.869 flat angles C4'-P-C4' energy: -170.358 flat angles P-C4'-P energy: -98.468 tors. eta vs tors. theta energy: -192.263 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: 4, replica: 1 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2114.520505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.520505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.520505 (E_RNA) where: Base-Base interactions energy: -1426.887 where: short stacking energy: -652.870 Base-Backbone interact. energy: -3.064 local terms energy: -684.569747 where: bonds (distance) C4'-P energy: -123.580 bonds (distance) P-C4' energy: -134.295 flat angles C4'-P-C4' energy: -154.954 flat angles P-C4'-P energy: -94.768 tors. eta vs tors. theta energy: -176.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1804.034987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.034987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.034987 (E_RNA) where: Base-Base interactions energy: -1180.959 where: short stacking energy: -520.400 Base-Backbone interact. energy: -3.887 local terms energy: -619.188296 where: bonds (distance) C4'-P energy: -118.257 bonds (distance) P-C4' energy: -134.199 flat angles C4'-P-C4' energy: -150.985 flat angles P-C4'-P energy: -100.368 tors. eta vs tors. theta energy: -115.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1753.340159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.340159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.340159 (E_RNA) where: Base-Base interactions energy: -1132.597 where: short stacking energy: -533.771 Base-Backbone interact. energy: -2.112 local terms energy: -618.630867 where: bonds (distance) C4'-P energy: -123.574 bonds (distance) P-C4' energy: -131.633 flat angles C4'-P-C4' energy: -144.352 flat angles P-C4'-P energy: -83.746 tors. eta vs tors. theta energy: -135.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1489.821761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.821761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.821761 (E_RNA) where: Base-Base interactions energy: -926.868 where: short stacking energy: -427.961 Base-Backbone interact. energy: -0.307 local terms energy: -562.646863 where: bonds (distance) C4'-P energy: -124.629 bonds (distance) P-C4' energy: -127.631 flat angles C4'-P-C4' energy: -129.877 flat angles P-C4'-P energy: -74.843 tors. eta vs tors. theta energy: -105.667 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: 2 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1286.242936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.242936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.242936 (E_RNA) where: Base-Base interactions energy: -786.640 where: short stacking energy: -344.056 Base-Backbone interact. energy: -1.843 local terms energy: -497.760649 where: bonds (distance) C4'-P energy: -132.924 bonds (distance) P-C4' energy: -138.294 flat angles C4'-P-C4' energy: -93.745 flat angles P-C4'-P energy: -88.946 tors. eta vs tors. theta energy: -43.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -960.985705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.985705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.985705 (E_RNA) where: Base-Base interactions energy: -505.896 where: short stacking energy: -268.673 Base-Backbone interact. energy: 1.650 local terms energy: -456.739552 where: bonds (distance) C4'-P energy: -125.529 bonds (distance) P-C4' energy: -128.566 flat angles C4'-P-C4' energy: -115.406 flat angles P-C4'-P energy: -67.050 tors. eta vs tors. theta energy: -20.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -887.524236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.524236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.524236 (E_RNA) where: Base-Base interactions energy: -460.123 where: short stacking energy: -239.275 Base-Backbone interact. energy: 6.508 local terms energy: -433.908979 where: bonds (distance) C4'-P energy: -116.056 bonds (distance) P-C4' energy: -135.397 flat angles C4'-P-C4' energy: -90.874 flat angles P-C4'-P energy: -74.827 tors. eta vs tors. theta energy: -16.755 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: 3 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2282.241898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.241898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.241898 (E_RNA) where: Base-Base interactions energy: -1499.277 where: short stacking energy: -704.384 Base-Backbone interact. energy: -3.942 local terms energy: -779.022501 where: bonds (distance) C4'-P energy: -155.774 bonds (distance) P-C4' energy: -137.942 flat angles C4'-P-C4' energy: -166.776 flat angles P-C4'-P energy: -114.880 tors. eta vs tors. theta energy: -203.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2240.941188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.941188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.941188 (E_RNA) where: Base-Base interactions energy: -1463.042 where: short stacking energy: -692.115 Base-Backbone interact. energy: -3.755 local terms energy: -774.144553 where: bonds (distance) C4'-P energy: -148.379 bonds (distance) P-C4' energy: -134.740 flat angles C4'-P-C4' energy: -171.052 flat angles P-C4'-P energy: -113.808 tors. eta vs tors. theta energy: -206.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2250.265510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.265510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.265510 (E_RNA) where: Base-Base interactions energy: -1496.291 where: short stacking energy: -691.159 Base-Backbone interact. energy: -4.039 local terms energy: -749.936247 where: bonds (distance) C4'-P energy: -136.022 bonds (distance) P-C4' energy: -141.886 flat angles C4'-P-C4' energy: -160.908 flat angles P-C4'-P energy: -111.395 tors. eta vs tors. theta energy: -199.726 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: 1 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2092.831077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.831077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.831077 (E_RNA) where: Base-Base interactions energy: -1378.245 where: short stacking energy: -644.277 Base-Backbone interact. energy: 0.273 local terms energy: -714.859405 where: bonds (distance) C4'-P energy: -145.009 bonds (distance) P-C4' energy: -142.350 flat angles C4'-P-C4' energy: -158.330 flat angles P-C4'-P energy: -96.237 tors. eta vs tors. theta energy: -172.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1814.961538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.961538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.961538 (E_RNA) where: Base-Base interactions energy: -1184.683 where: short stacking energy: -542.675 Base-Backbone interact. energy: 0.942 local terms energy: -631.220074 where: bonds (distance) C4'-P energy: -130.235 bonds (distance) P-C4' energy: -143.142 flat angles C4'-P-C4' energy: -133.838 flat angles P-C4'-P energy: -95.143 tors. eta vs tors. theta energy: -128.863 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: 7 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1730.981036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.981036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.981036 (E_RNA) where: Base-Base interactions energy: -1131.394 where: short stacking energy: -522.333 Base-Backbone interact. energy: 3.502 local terms energy: -603.088308 where: bonds (distance) C4'-P energy: -137.290 bonds (distance) P-C4' energy: -132.460 flat angles C4'-P-C4' energy: -126.127 flat angles P-C4'-P energy: -76.897 tors. eta vs tors. theta energy: -130.315 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: 9 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1509.936139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.936139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.936139 (E_RNA) where: Base-Base interactions energy: -963.146 where: short stacking energy: -424.574 Base-Backbone interact. energy: -0.586 local terms energy: -546.204934 where: bonds (distance) C4'-P energy: -119.508 bonds (distance) P-C4' energy: -125.539 flat angles C4'-P-C4' energy: -138.019 flat angles P-C4'-P energy: -80.439 tors. eta vs tors. theta energy: -82.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1326.168127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.168127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.168127 (E_RNA) where: Base-Base interactions energy: -835.433 where: short stacking energy: -371.226 Base-Backbone interact. energy: -2.320 local terms energy: -488.414523 where: bonds (distance) C4'-P energy: -131.622 bonds (distance) P-C4' energy: -115.951 flat angles C4'-P-C4' energy: -101.770 flat angles P-C4'-P energy: -71.365 tors. eta vs tors. theta energy: -67.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -981.624892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.624892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.624892 (E_RNA) where: Base-Base interactions energy: -512.170 where: short stacking energy: -301.486 Base-Backbone interact. energy: -0.868 local terms energy: -468.586787 where: bonds (distance) C4'-P energy: -126.404 bonds (distance) P-C4' energy: -112.105 flat angles C4'-P-C4' energy: -105.345 flat angles P-C4'-P energy: -87.914 tors. eta vs tors. theta energy: -36.819 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: 5 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -858.085015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.085015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.085015 (E_RNA) where: Base-Base interactions energy: -444.843 where: short stacking energy: -258.223 Base-Backbone interact. energy: 2.225 local terms energy: -415.466549 where: bonds (distance) C4'-P energy: -124.145 bonds (distance) P-C4' energy: -107.921 flat angles C4'-P-C4' energy: -104.544 flat angles P-C4'-P energy: -69.141 tors. eta vs tors. theta energy: -9.715 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: 60 Temperature: 0.900000 Total energy: -2311.048616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.048616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.048616 (E_RNA) where: Base-Base interactions energy: -1546.774 where: short stacking energy: -724.504 Base-Backbone interact. energy: -3.742 local terms energy: -760.532945 where: bonds (distance) C4'-P energy: -143.580 bonds (distance) P-C4' energy: -146.175 flat angles C4'-P-C4' energy: -169.552 flat angles P-C4'-P energy: -104.683 tors. eta vs tors. theta energy: -196.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2257.387164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.387164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.387164 (E_RNA) where: Base-Base interactions energy: -1498.089 where: short stacking energy: -692.430 Base-Backbone interact. energy: -4.339 local terms energy: -754.959794 where: bonds (distance) C4'-P energy: -149.704 bonds (distance) P-C4' energy: -159.592 flat angles C4'-P-C4' energy: -149.458 flat angles P-C4'-P energy: -103.009 tors. eta vs tors. theta energy: -193.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2234.438890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.438890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.438890 (E_RNA) where: Base-Base interactions energy: -1505.575 where: short stacking energy: -675.540 Base-Backbone interact. energy: -2.138 local terms energy: -726.725475 where: bonds (distance) C4'-P energy: -134.482 bonds (distance) P-C4' energy: -138.569 flat angles C4'-P-C4' energy: -158.453 flat angles P-C4'-P energy: -108.978 tors. eta vs tors. theta energy: -186.244 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: 1 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2155.776201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.776201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.776201 (E_RNA) where: Base-Base interactions energy: -1428.926 where: short stacking energy: -636.008 Base-Backbone interact. energy: 1.115 local terms energy: -727.965076 where: bonds (distance) C4'-P energy: -145.763 bonds (distance) P-C4' energy: -153.952 flat angles C4'-P-C4' energy: -161.346 flat angles P-C4'-P energy: -99.592 tors. eta vs tors. theta energy: -167.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1788.065118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.065118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.065118 (E_RNA) where: Base-Base interactions energy: -1163.945 where: short stacking energy: -543.762 Base-Backbone interact. energy: -2.199 local terms energy: -621.921736 where: bonds (distance) C4'-P energy: -124.695 bonds (distance) P-C4' energy: -124.617 flat angles C4'-P-C4' energy: -157.717 flat angles P-C4'-P energy: -88.021 tors. eta vs tors. theta energy: -126.872 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: 6, replica: 7 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1696.608289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.608289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.608289 (E_RNA) where: Base-Base interactions energy: -1101.112 where: short stacking energy: -512.254 Base-Backbone interact. energy: -0.560 local terms energy: -594.936306 where: bonds (distance) C4'-P energy: -123.429 bonds (distance) P-C4' energy: -121.468 flat angles C4'-P-C4' energy: -131.676 flat angles P-C4'-P energy: -95.905 tors. eta vs tors. theta energy: -122.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1539.557999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.557999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.557999 (E_RNA) where: Base-Base interactions energy: -956.130 where: short stacking energy: -450.560 Base-Backbone interact. energy: 3.508 local terms energy: -586.935555 where: bonds (distance) C4'-P energy: -122.454 bonds (distance) P-C4' energy: -146.847 flat angles C4'-P-C4' energy: -136.606 flat angles P-C4'-P energy: -76.548 tors. eta vs tors. theta energy: -104.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1314.777024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.777024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.777024 (E_RNA) where: Base-Base interactions energy: -809.665 where: short stacking energy: -381.815 Base-Backbone interact. energy: 7.260 local terms energy: -512.371868 where: bonds (distance) C4'-P energy: -133.181 bonds (distance) P-C4' energy: -123.454 flat angles C4'-P-C4' energy: -112.509 flat angles P-C4'-P energy: -72.482 tors. eta vs tors. theta energy: -70.745 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: 4 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1016.071104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.071104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.071104 (E_RNA) where: Base-Base interactions energy: -565.549 where: short stacking energy: -301.559 Base-Backbone interact. energy: -1.734 local terms energy: -448.787737 where: bonds (distance) C4'-P energy: -108.625 bonds (distance) P-C4' energy: -127.369 flat angles C4'-P-C4' energy: -125.952 flat angles P-C4'-P energy: -64.908 tors. eta vs tors. theta energy: -21.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -868.732772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.732772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.732772 (E_RNA) where: Base-Base interactions energy: -446.915 where: short stacking energy: -235.647 Base-Backbone interact. energy: 3.080 local terms energy: -424.897125 where: bonds (distance) C4'-P energy: -101.543 bonds (distance) P-C4' energy: -136.314 flat angles C4'-P-C4' energy: -95.234 flat angles P-C4'-P energy: -83.103 tors. eta vs tors. theta energy: -8.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2325.847927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.847927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.847927 (E_RNA) where: Base-Base interactions energy: -1574.996 where: short stacking energy: -741.334 Base-Backbone interact. energy: -2.352 local terms energy: -748.500254 where: bonds (distance) C4'-P energy: -143.205 bonds (distance) P-C4' energy: -145.462 flat angles C4'-P-C4' energy: -159.083 flat angles P-C4'-P energy: -96.007 tors. eta vs tors. theta energy: -204.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2264.192071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.192071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.192071 (E_RNA) where: Base-Base interactions energy: -1528.458 where: short stacking energy: -682.669 Base-Backbone interact. energy: 0.920 local terms energy: -736.653839 where: bonds (distance) C4'-P energy: -126.868 bonds (distance) P-C4' energy: -148.889 flat angles C4'-P-C4' energy: -161.264 flat angles P-C4'-P energy: -115.165 tors. eta vs tors. theta energy: -184.467 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: 8 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2229.809278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.809278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.809278 (E_RNA) where: Base-Base interactions energy: -1472.429 where: short stacking energy: -703.277 Base-Backbone interact. energy: -1.472 local terms energy: -755.908557 where: bonds (distance) C4'-P energy: -141.330 bonds (distance) P-C4' energy: -151.508 flat angles C4'-P-C4' energy: -157.541 flat angles P-C4'-P energy: -104.211 tors. eta vs tors. theta energy: -201.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2095.605233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.605233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.605233 (E_RNA) where: Base-Base interactions energy: -1410.165 where: short stacking energy: -661.025 Base-Backbone interact. energy: -1.837 local terms energy: -683.602525 where: bonds (distance) C4'-P energy: -126.253 bonds (distance) P-C4' energy: -149.278 flat angles C4'-P-C4' energy: -149.151 flat angles P-C4'-P energy: -85.864 tors. eta vs tors. theta energy: -173.056 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: 6 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1812.357660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.357660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.357660 (E_RNA) where: Base-Base interactions energy: -1180.606 where: short stacking energy: -519.648 Base-Backbone interact. energy: 0.806 local terms energy: -632.557763 where: bonds (distance) C4'-P energy: -121.562 bonds (distance) P-C4' energy: -147.965 flat angles C4'-P-C4' energy: -129.115 flat angles P-C4'-P energy: -92.086 tors. eta vs tors. theta energy: -141.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1736.496764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.496764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.496764 (E_RNA) where: Base-Base interactions energy: -1148.500 where: short stacking energy: -517.715 Base-Backbone interact. energy: -0.924 local terms energy: -587.072528 where: bonds (distance) C4'-P energy: -127.399 bonds (distance) P-C4' energy: -119.954 flat angles C4'-P-C4' energy: -134.633 flat angles P-C4'-P energy: -85.968 tors. eta vs tors. theta energy: -119.119 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: 7, replica: 9 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1540.254304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.254304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.254304 (E_RNA) where: Base-Base interactions energy: -977.547 where: short stacking energy: -433.954 Base-Backbone interact. energy: 0.004 local terms energy: -562.711065 where: bonds (distance) C4'-P energy: -132.970 bonds (distance) P-C4' energy: -136.969 flat angles C4'-P-C4' energy: -123.122 flat angles P-C4'-P energy: -82.593 tors. eta vs tors. theta energy: -87.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1380.848877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.848877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.848877 (E_RNA) where: Base-Base interactions energy: -859.139 where: short stacking energy: -416.868 Base-Backbone interact. energy: 2.180 local terms energy: -523.889880 where: bonds (distance) C4'-P energy: -111.309 bonds (distance) P-C4' energy: -122.911 flat angles C4'-P-C4' energy: -126.879 flat angles P-C4'-P energy: -79.541 tors. eta vs tors. theta energy: -83.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1107.097783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.097783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.097783 (E_RNA) where: Base-Base interactions energy: -642.543 where: short stacking energy: -304.253 Base-Backbone interact. energy: -5.045 local terms energy: -459.509326 where: bonds (distance) C4'-P energy: -128.667 bonds (distance) P-C4' energy: -137.285 flat angles C4'-P-C4' energy: -89.085 flat angles P-C4'-P energy: -71.924 tors. eta vs tors. theta energy: -32.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -765.025792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.025792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.025792 (E_RNA) where: Base-Base interactions energy: -399.182 where: short stacking energy: -238.760 Base-Backbone interact. energy: -2.201 local terms energy: -363.643367 where: bonds (distance) C4'-P energy: -104.457 bonds (distance) P-C4' energy: -115.804 flat angles C4'-P-C4' energy: -101.342 flat angles P-C4'-P energy: -40.862 tors. eta vs tors. theta energy: -1.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2337.450895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.450895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.450895 (E_RNA) where: Base-Base interactions energy: -1561.788 where: short stacking energy: -728.213 Base-Backbone interact. energy: -2.875 local terms energy: -772.787829 where: bonds (distance) C4'-P energy: -141.758 bonds (distance) P-C4' energy: -142.343 flat angles C4'-P-C4' energy: -174.706 flat angles P-C4'-P energy: -113.852 tors. eta vs tors. theta energy: -200.129 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: 3 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2266.825776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.825776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.825776 (E_RNA) where: Base-Base interactions energy: -1508.125 where: short stacking energy: -699.582 Base-Backbone interact. energy: -1.227 local terms energy: -757.473342 where: bonds (distance) C4'-P energy: -149.855 bonds (distance) P-C4' energy: -148.834 flat angles C4'-P-C4' energy: -150.638 flat angles P-C4'-P energy: -104.043 tors. eta vs tors. theta energy: -204.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2218.192889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.192889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.192889 (E_RNA) where: Base-Base interactions energy: -1476.908 where: short stacking energy: -667.146 Base-Backbone interact. energy: -2.505 local terms energy: -738.780446 where: bonds (distance) C4'-P energy: -126.913 bonds (distance) P-C4' energy: -152.582 flat angles C4'-P-C4' energy: -161.663 flat angles P-C4'-P energy: -107.557 tors. eta vs tors. theta energy: -190.065 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: 1 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2078.375312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.375312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.375312 (E_RNA) where: Base-Base interactions energy: -1368.172 where: short stacking energy: -627.356 Base-Backbone interact. energy: -1.089 local terms energy: -709.114561 where: bonds (distance) C4'-P energy: -124.732 bonds (distance) P-C4' energy: -137.437 flat angles C4'-P-C4' energy: -153.862 flat angles P-C4'-P energy: -108.671 tors. eta vs tors. theta energy: -184.412 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: 6 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1819.455206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.455206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.455206 (E_RNA) where: Base-Base interactions energy: -1176.849 where: short stacking energy: -528.181 Base-Backbone interact. energy: -1.401 local terms energy: -641.204596 where: bonds (distance) C4'-P energy: -133.000 bonds (distance) P-C4' energy: -139.830 flat angles C4'-P-C4' energy: -143.168 flat angles P-C4'-P energy: -97.905 tors. eta vs tors. theta energy: -127.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1709.184846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.184846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.184846 (E_RNA) where: Base-Base interactions energy: -1097.578 where: short stacking energy: -533.348 Base-Backbone interact. energy: -1.803 local terms energy: -609.803458 where: bonds (distance) C4'-P energy: -103.957 bonds (distance) P-C4' energy: -135.241 flat angles C4'-P-C4' energy: -140.153 flat angles P-C4'-P energy: -94.257 tors. eta vs tors. theta energy: -136.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1619.613590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.613590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.613590 (E_RNA) where: Base-Base interactions energy: -1061.789 where: short stacking energy: -486.088 Base-Backbone interact. energy: 0.381 local terms energy: -558.204848 where: bonds (distance) C4'-P energy: -116.074 bonds (distance) P-C4' energy: -121.888 flat angles C4'-P-C4' energy: -133.399 flat angles P-C4'-P energy: -79.819 tors. eta vs tors. theta energy: -107.024 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: 2 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1390.776935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.776935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.776935 (E_RNA) where: Base-Base interactions energy: -894.913 where: short stacking energy: -411.533 Base-Backbone interact. energy: 2.681 local terms energy: -498.544303 where: bonds (distance) C4'-P energy: -131.566 bonds (distance) P-C4' energy: -132.789 flat angles C4'-P-C4' energy: -113.073 flat angles P-C4'-P energy: -64.971 tors. eta vs tors. theta energy: -56.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1112.275982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.275982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.275982 (E_RNA) where: Base-Base interactions energy: -672.056 where: short stacking energy: -328.248 Base-Backbone interact. energy: 4.140 local terms energy: -444.360111 where: bonds (distance) C4'-P energy: -129.129 bonds (distance) P-C4' energy: -115.656 flat angles C4'-P-C4' energy: -118.503 flat angles P-C4'-P energy: -41.422 tors. eta vs tors. theta energy: -39.651 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: 5 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -684.941022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.941022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.941022 (E_RNA) where: Base-Base interactions energy: -296.624 where: short stacking energy: -201.055 Base-Backbone interact. energy: 0.272 local terms energy: -388.589137 where: bonds (distance) C4'-P energy: -110.279 bonds (distance) P-C4' energy: -124.149 flat angles C4'-P-C4' energy: -113.548 flat angles P-C4'-P energy: -51.470 tors. eta vs tors. theta energy: 10.856 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: 1, replica: 10 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2298.737933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.737933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.737933 (E_RNA) where: Base-Base interactions energy: -1525.269 where: short stacking energy: -706.142 Base-Backbone interact. energy: -1.690 local terms energy: -771.778780 where: bonds (distance) C4'-P energy: -141.938 bonds (distance) P-C4' energy: -160.514 flat angles C4'-P-C4' energy: -155.127 flat angles P-C4'-P energy: -116.776 tors. eta vs tors. theta energy: -197.423 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: 3 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2216.362672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.362672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.362672 (E_RNA) where: Base-Base interactions energy: -1484.840 where: short stacking energy: -669.189 Base-Backbone interact. energy: -4.860 local terms energy: -726.662305 where: bonds (distance) C4'-P energy: -149.313 bonds (distance) P-C4' energy: -141.069 flat angles C4'-P-C4' energy: -153.590 flat angles P-C4'-P energy: -93.941 tors. eta vs tors. theta energy: -188.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2238.680399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.680399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.680399 (E_RNA) where: Base-Base interactions energy: -1476.227 where: short stacking energy: -686.273 Base-Backbone interact. energy: -4.583 local terms energy: -757.870380 where: bonds (distance) C4'-P energy: -126.258 bonds (distance) P-C4' energy: -155.887 flat angles C4'-P-C4' energy: -160.924 flat angles P-C4'-P energy: -112.598 tors. eta vs tors. theta energy: -202.204 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: 1 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2127.462444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.462444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.462444 (E_RNA) where: Base-Base interactions energy: -1418.450 where: short stacking energy: -650.363 Base-Backbone interact. energy: -2.649 local terms energy: -706.363114 where: bonds (distance) C4'-P energy: -115.973 bonds (distance) P-C4' energy: -138.715 flat angles C4'-P-C4' energy: -154.107 flat angles P-C4'-P energy: -110.079 tors. eta vs tors. theta energy: -187.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1863.451914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.451914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.451914 (E_RNA) where: Base-Base interactions energy: -1211.974 where: short stacking energy: -540.388 Base-Backbone interact. energy: -2.849 local terms energy: -648.628527 where: bonds (distance) C4'-P energy: -148.977 bonds (distance) P-C4' energy: -132.284 flat angles C4'-P-C4' energy: -148.049 flat angles P-C4'-P energy: -81.893 tors. eta vs tors. theta energy: -137.426 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: 9 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1728.649297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.649297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.649297 (E_RNA) where: Base-Base interactions energy: -1137.740 where: short stacking energy: -524.578 Base-Backbone interact. energy: -1.646 local terms energy: -589.263218 where: bonds (distance) C4'-P energy: -112.014 bonds (distance) P-C4' energy: -130.711 flat angles C4'-P-C4' energy: -129.970 flat angles P-C4'-P energy: -82.488 tors. eta vs tors. theta energy: -134.080 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: 7 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1604.437914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.437914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.437914 (E_RNA) where: Base-Base interactions energy: -997.291 where: short stacking energy: -457.572 Base-Backbone interact. energy: -1.815 local terms energy: -605.331349 where: bonds (distance) C4'-P energy: -131.761 bonds (distance) P-C4' energy: -141.522 flat angles C4'-P-C4' energy: -129.426 flat angles P-C4'-P energy: -88.067 tors. eta vs tors. theta energy: -114.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1398.981212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.981212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.981212 (E_RNA) where: Base-Base interactions energy: -887.808 where: short stacking energy: -393.076 Base-Backbone interact. energy: -0.317 local terms energy: -510.855584 where: bonds (distance) C4'-P energy: -110.561 bonds (distance) P-C4' energy: -130.758 flat angles C4'-P-C4' energy: -123.350 flat angles P-C4'-P energy: -79.994 tors. eta vs tors. theta energy: -66.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -1114.777923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.777923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.777923 (E_RNA) where: Base-Base interactions energy: -635.089 where: short stacking energy: -326.259 Base-Backbone interact. energy: -2.105 local terms energy: -477.583428 where: bonds (distance) C4'-P energy: -113.854 bonds (distance) P-C4' energy: -127.715 flat angles C4'-P-C4' energy: -122.557 flat angles P-C4'-P energy: -74.427 tors. eta vs tors. theta energy: -39.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -689.390182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.390182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.390182 (E_RNA) where: Base-Base interactions energy: -293.648 where: short stacking energy: -180.683 Base-Backbone interact. energy: 1.864 local terms energy: -397.605534 where: bonds (distance) C4'-P energy: -122.342 bonds (distance) P-C4' energy: -128.459 flat angles C4'-P-C4' energy: -112.155 flat angles P-C4'-P energy: -68.504 tors. eta vs tors. theta energy: 33.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2346.234868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.234868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.234868 (E_RNA) where: Base-Base interactions energy: -1545.708 where: short stacking energy: -740.875 Base-Backbone interact. energy: -1.366 local terms energy: -799.160283 where: bonds (distance) C4'-P energy: -145.913 bonds (distance) P-C4' energy: -152.327 flat angles C4'-P-C4' energy: -171.782 flat angles P-C4'-P energy: -115.869 tors. eta vs tors. theta energy: -213.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2253.947213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.947213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.947213 (E_RNA) where: Base-Base interactions energy: -1517.952 where: short stacking energy: -675.415 Base-Backbone interact. energy: -0.742 local terms energy: -735.252770 where: bonds (distance) C4'-P energy: -134.985 bonds (distance) P-C4' energy: -151.212 flat angles C4'-P-C4' energy: -156.318 flat angles P-C4'-P energy: -111.316 tors. eta vs tors. theta energy: -181.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2242.183849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.183849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.183849 (E_RNA) where: Base-Base interactions energy: -1487.010 where: short stacking energy: -689.022 Base-Backbone interact. energy: 3.302 local terms energy: -758.476201 where: bonds (distance) C4'-P energy: -154.839 bonds (distance) P-C4' energy: -149.419 flat angles C4'-P-C4' energy: -156.901 flat angles P-C4'-P energy: -109.546 tors. eta vs tors. theta energy: -187.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2175.233647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.233647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.233647 (E_RNA) where: Base-Base interactions energy: -1434.795 where: short stacking energy: -661.746 Base-Backbone interact. energy: 1.596 local terms energy: -742.034761 where: bonds (distance) C4'-P energy: -136.295 bonds (distance) P-C4' energy: -147.817 flat angles C4'-P-C4' energy: -155.555 flat angles P-C4'-P energy: -99.992 tors. eta vs tors. theta energy: -202.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1820.704278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.704278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.704278 (E_RNA) where: Base-Base interactions energy: -1192.621 where: short stacking energy: -522.831 Base-Backbone interact. energy: -0.292 local terms energy: -627.791724 where: bonds (distance) C4'-P energy: -130.787 bonds (distance) P-C4' energy: -123.665 flat angles C4'-P-C4' energy: -155.011 flat angles P-C4'-P energy: -80.244 tors. eta vs tors. theta energy: -138.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1747.631212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.631212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.631212 (E_RNA) where: Base-Base interactions energy: -1116.416 where: short stacking energy: -493.164 Base-Backbone interact. energy: -4.793 local terms energy: -626.422150 where: bonds (distance) C4'-P energy: -133.645 bonds (distance) P-C4' energy: -138.413 flat angles C4'-P-C4' energy: -151.246 flat angles P-C4'-P energy: -81.075 tors. eta vs tors. theta energy: -122.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1605.588469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.588469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.588469 (E_RNA) where: Base-Base interactions energy: -1000.477 where: short stacking energy: -471.011 Base-Backbone interact. energy: -1.028 local terms energy: -604.083004 where: bonds (distance) C4'-P energy: -127.727 bonds (distance) P-C4' energy: -126.201 flat angles C4'-P-C4' energy: -149.031 flat angles P-C4'-P energy: -80.298 tors. eta vs tors. theta energy: -120.827 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: 2 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1385.739472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.739472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.739472 (E_RNA) where: Base-Base interactions energy: -884.512 where: short stacking energy: -373.842 Base-Backbone interact. energy: -0.003 local terms energy: -501.224093 where: bonds (distance) C4'-P energy: -131.088 bonds (distance) P-C4' energy: -110.526 flat angles C4'-P-C4' energy: -118.904 flat angles P-C4'-P energy: -85.979 tors. eta vs tors. theta energy: -54.727 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: 4 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1147.575472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.575472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.575472 (E_RNA) where: Base-Base interactions energy: -684.610 where: short stacking energy: -323.514 Base-Backbone interact. energy: 2.193 local terms energy: -465.158512 where: bonds (distance) C4'-P energy: -122.712 bonds (distance) P-C4' energy: -113.986 flat angles C4'-P-C4' energy: -127.793 flat angles P-C4'-P energy: -70.184 tors. eta vs tors. theta energy: -30.484 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: 5 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -718.806989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.806989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.806989 (E_RNA) where: Base-Base interactions energy: -331.164 where: short stacking energy: -222.629 Base-Backbone interact. energy: 0.053 local terms energy: -387.695902 where: bonds (distance) C4'-P energy: -110.797 bonds (distance) P-C4' energy: -137.189 flat angles C4'-P-C4' energy: -106.614 flat angles P-C4'-P energy: -41.895 tors. eta vs tors. theta energy: 8.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2331.177795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.177795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.177795 (E_RNA) where: Base-Base interactions energy: -1541.841 where: short stacking energy: -710.596 Base-Backbone interact. energy: -3.006 local terms energy: -786.331342 where: bonds (distance) C4'-P energy: -155.596 bonds (distance) P-C4' energy: -157.885 flat angles C4'-P-C4' energy: -163.826 flat angles P-C4'-P energy: -105.860 tors. eta vs tors. theta energy: -203.164 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: 2, replica: 3 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2309.830255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.830255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.830255 (E_RNA) where: Base-Base interactions energy: -1587.647 where: short stacking energy: -704.293 Base-Backbone interact. energy: -3.195 local terms energy: -718.988514 where: bonds (distance) C4'-P energy: -128.952 bonds (distance) P-C4' energy: -137.032 flat angles C4'-P-C4' energy: -162.839 flat angles P-C4'-P energy: -102.765 tors. eta vs tors. theta energy: -187.399 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: 1 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2176.925915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.925915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.925915 (E_RNA) where: Base-Base interactions energy: -1453.885 where: short stacking energy: -675.807 Base-Backbone interact. energy: 4.281 local terms energy: -727.322235 where: bonds (distance) C4'-P energy: -148.597 bonds (distance) P-C4' energy: -134.797 flat angles C4'-P-C4' energy: -157.619 flat angles P-C4'-P energy: -93.857 tors. eta vs tors. theta energy: -192.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2186.626907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.626907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.626907 (E_RNA) where: Base-Base interactions energy: -1437.296 where: short stacking energy: -683.054 Base-Backbone interact. energy: -0.664 local terms energy: -748.667133 where: bonds (distance) C4'-P energy: -131.959 bonds (distance) P-C4' energy: -140.116 flat angles C4'-P-C4' energy: -163.701 flat angles P-C4'-P energy: -102.517 tors. eta vs tors. theta energy: -210.374 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: 6 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1844.676995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.676995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.676995 (E_RNA) where: Base-Base interactions energy: -1202.832 where: short stacking energy: -554.232 Base-Backbone interact. energy: 6.577 local terms energy: -648.422568 where: bonds (distance) C4'-P energy: -149.741 bonds (distance) P-C4' energy: -128.125 flat angles C4'-P-C4' energy: -150.869 flat angles P-C4'-P energy: -72.508 tors. eta vs tors. theta energy: -147.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1755.198637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.198637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.198637 (E_RNA) where: Base-Base interactions energy: -1153.009 where: short stacking energy: -508.019 Base-Backbone interact. energy: 3.041 local terms energy: -605.230278 where: bonds (distance) C4'-P energy: -117.348 bonds (distance) P-C4' energy: -143.635 flat angles C4'-P-C4' energy: -122.051 flat angles P-C4'-P energy: -96.424 tors. eta vs tors. theta energy: -125.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1583.568883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.568883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.568883 (E_RNA) where: Base-Base interactions energy: -1020.308 where: short stacking energy: -461.526 Base-Backbone interact. energy: 1.353 local terms energy: -564.614438 where: bonds (distance) C4'-P energy: -121.153 bonds (distance) P-C4' energy: -110.746 flat angles C4'-P-C4' energy: -130.758 flat angles P-C4'-P energy: -83.156 tors. eta vs tors. theta energy: -118.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1411.120377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.120377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.120377 (E_RNA) where: Base-Base interactions energy: -897.513 where: short stacking energy: -420.524 Base-Backbone interact. energy: -4.050 local terms energy: -509.557471 where: bonds (distance) C4'-P energy: -110.165 bonds (distance) P-C4' energy: -108.125 flat angles C4'-P-C4' energy: -122.457 flat angles P-C4'-P energy: -87.561 tors. eta vs tors. theta energy: -81.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1124.022109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.022109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.022109 (E_RNA) where: Base-Base interactions energy: -670.725 where: short stacking energy: -346.999 Base-Backbone interact. energy: 6.647 local terms energy: -459.944163 where: bonds (distance) C4'-P energy: -124.418 bonds (distance) P-C4' energy: -139.159 flat angles C4'-P-C4' energy: -117.234 flat angles P-C4'-P energy: -50.707 tors. eta vs tors. theta energy: -28.427 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: 5 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -718.422094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.422094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.422094 (E_RNA) where: Base-Base interactions energy: -309.439 where: short stacking energy: -166.577 Base-Backbone interact. energy: 2.847 local terms energy: -411.829814 where: bonds (distance) C4'-P energy: -119.082 bonds (distance) P-C4' energy: -141.197 flat angles C4'-P-C4' energy: -114.402 flat angles P-C4'-P energy: -63.078 tors. eta vs tors. theta energy: 25.929 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: 10 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2356.122362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.122362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.122362 (E_RNA) where: Base-Base interactions energy: -1572.709 where: short stacking energy: -709.875 Base-Backbone interact. energy: -3.682 local terms energy: -779.731308 where: bonds (distance) C4'-P energy: -152.913 bonds (distance) P-C4' energy: -135.316 flat angles C4'-P-C4' energy: -175.857 flat angles P-C4'-P energy: -104.006 tors. eta vs tors. theta energy: -211.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2231.220736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.220736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.220736 (E_RNA) where: Base-Base interactions energy: -1501.129 where: short stacking energy: -673.028 Base-Backbone interact. energy: -5.935 local terms energy: -724.156218 where: bonds (distance) C4'-P energy: -148.761 bonds (distance) P-C4' energy: -143.088 flat angles C4'-P-C4' energy: -168.812 flat angles P-C4'-P energy: -86.577 tors. eta vs tors. theta energy: -176.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2255.803085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.803085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.803085 (E_RNA) where: Base-Base interactions energy: -1492.692 where: short stacking energy: -691.755 Base-Backbone interact. energy: -1.457 local terms energy: -761.654209 where: bonds (distance) C4'-P energy: -152.628 bonds (distance) P-C4' energy: -141.962 flat angles C4'-P-C4' energy: -166.516 flat angles P-C4'-P energy: -96.340 tors. eta vs tors. theta energy: -204.209 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: 1 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2138.508290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.508290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.508290 (E_RNA) where: Base-Base interactions energy: -1425.363 where: short stacking energy: -632.330 Base-Backbone interact. energy: -2.631 local terms energy: -710.513608 where: bonds (distance) C4'-P energy: -130.438 bonds (distance) P-C4' energy: -140.881 flat angles C4'-P-C4' energy: -154.477 flat angles P-C4'-P energy: -105.401 tors. eta vs tors. theta energy: -179.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1838.615223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.615223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.615223 (E_RNA) where: Base-Base interactions energy: -1200.718 where: short stacking energy: -538.084 Base-Backbone interact. energy: 0.686 local terms energy: -638.582822 where: bonds (distance) C4'-P energy: -134.460 bonds (distance) P-C4' energy: -121.786 flat angles C4'-P-C4' energy: -144.628 flat angles P-C4'-P energy: -101.584 tors. eta vs tors. theta energy: -136.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1742.725141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.725141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.725141 (E_RNA) where: Base-Base interactions energy: -1129.533 where: short stacking energy: -494.720 Base-Backbone interact. energy: 0.347 local terms energy: -613.539187 where: bonds (distance) C4'-P energy: -117.271 bonds (distance) P-C4' energy: -142.957 flat angles C4'-P-C4' energy: -126.747 flat angles P-C4'-P energy: -107.602 tors. eta vs tors. theta energy: -118.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1581.115193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.115193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.115193 (E_RNA) where: Base-Base interactions energy: -1000.200 where: short stacking energy: -452.641 Base-Backbone interact. energy: 1.853 local terms energy: -582.768197 where: bonds (distance) C4'-P energy: -132.324 bonds (distance) P-C4' energy: -120.168 flat angles C4'-P-C4' energy: -138.434 flat angles P-C4'-P energy: -80.957 tors. eta vs tors. theta energy: -110.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1420.409102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.409102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.409102 (E_RNA) where: Base-Base interactions energy: -928.414 where: short stacking energy: -414.094 Base-Backbone interact. energy: -4.239 local terms energy: -487.756047 where: bonds (distance) C4'-P energy: -95.884 bonds (distance) P-C4' energy: -120.100 flat angles C4'-P-C4' energy: -129.325 flat angles P-C4'-P energy: -72.474 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: 4 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1088.367733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.367733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.367733 (E_RNA) where: Base-Base interactions energy: -630.676 where: short stacking energy: -339.056 Base-Backbone interact. energy: -0.393 local terms energy: -457.298326 where: bonds (distance) C4'-P energy: -107.252 bonds (distance) P-C4' energy: -103.062 flat angles C4'-P-C4' energy: -120.098 flat angles P-C4'-P energy: -83.745 tors. eta vs tors. theta energy: -43.142 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: 5 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -769.314831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.314831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.314831 (E_RNA) where: Base-Base interactions energy: -367.408 where: short stacking energy: -224.896 Base-Backbone interact. energy: -1.779 local terms energy: -400.128267 where: bonds (distance) C4'-P energy: -115.630 bonds (distance) P-C4' energy: -116.035 flat angles C4'-P-C4' energy: -95.874 flat angles P-C4'-P energy: -66.764 tors. eta vs tors. theta energy: -5.825 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: 67 Temperature: 0.900000 Total energy: -2376.423291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.423291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.423291 (E_RNA) where: Base-Base interactions energy: -1587.868 where: short stacking energy: -731.090 Base-Backbone interact. energy: -0.401 local terms energy: -788.154324 where: bonds (distance) C4'-P energy: -137.533 bonds (distance) P-C4' energy: -139.797 flat angles C4'-P-C4' energy: -173.676 flat angles P-C4'-P energy: -108.536 tors. eta vs tors. theta energy: -228.611 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: 3 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2322.011467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.011467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.011467 (E_RNA) where: Base-Base interactions energy: -1557.506 where: short stacking energy: -680.734 Base-Backbone interact. energy: -1.313 local terms energy: -763.192472 where: bonds (distance) C4'-P energy: -156.231 bonds (distance) P-C4' energy: -151.944 flat angles C4'-P-C4' energy: -171.573 flat angles P-C4'-P energy: -99.728 tors. eta vs tors. theta energy: -183.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2319.536472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.536472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.536472 (E_RNA) where: Base-Base interactions energy: -1572.249 where: short stacking energy: -705.352 Base-Backbone interact. energy: -3.056 local terms energy: -744.231329 where: bonds (distance) C4'-P energy: -143.568 bonds (distance) P-C4' energy: -131.148 flat angles C4'-P-C4' energy: -162.554 flat angles P-C4'-P energy: -107.538 tors. eta vs tors. theta energy: -199.423 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: 1 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2095.706782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.706782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.706782 (E_RNA) where: Base-Base interactions energy: -1418.829 where: short stacking energy: -668.615 Base-Backbone interact. energy: 2.758 local terms energy: -679.635418 where: bonds (distance) C4'-P energy: -117.388 bonds (distance) P-C4' energy: -138.680 flat angles C4'-P-C4' energy: -156.463 flat angles P-C4'-P energy: -99.699 tors. eta vs tors. theta energy: -167.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1873.049759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.049759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.049759 (E_RNA) where: Base-Base interactions energy: -1231.628 where: short stacking energy: -581.358 Base-Backbone interact. energy: -0.389 local terms energy: -641.033008 where: bonds (distance) C4'-P energy: -141.157 bonds (distance) P-C4' energy: -123.902 flat angles C4'-P-C4' energy: -138.608 flat angles P-C4'-P energy: -102.654 tors. eta vs tors. theta energy: -134.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1757.549842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.549842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.549842 (E_RNA) where: Base-Base interactions energy: -1147.518 where: short stacking energy: -530.442 Base-Backbone interact. energy: -1.713 local terms energy: -608.318491 where: bonds (distance) C4'-P energy: -132.158 bonds (distance) P-C4' energy: -131.576 flat angles C4'-P-C4' energy: -129.627 flat angles P-C4'-P energy: -92.069 tors. eta vs tors. theta energy: -122.887 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: 7 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1580.719616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.719616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.719616 (E_RNA) where: Base-Base interactions energy: -1017.330 where: short stacking energy: -500.443 Base-Backbone interact. energy: -2.308 local terms energy: -561.082344 where: bonds (distance) C4'-P energy: -110.055 bonds (distance) P-C4' energy: -121.589 flat angles C4'-P-C4' energy: -125.092 flat angles P-C4'-P energy: -81.465 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: 2 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1407.839789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.839789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.839789 (E_RNA) where: Base-Base interactions energy: -855.268 where: short stacking energy: -376.395 Base-Backbone interact. energy: -4.868 local terms energy: -547.702971 where: bonds (distance) C4'-P energy: -108.313 bonds (distance) P-C4' energy: -149.477 flat angles C4'-P-C4' energy: -126.843 flat angles P-C4'-P energy: -78.752 tors. eta vs tors. theta energy: -84.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1128.919333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.919333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.919333 (E_RNA) where: Base-Base interactions energy: -684.013 where: short stacking energy: -316.639 Base-Backbone interact. energy: -1.357 local terms energy: -443.549028 where: bonds (distance) C4'-P energy: -137.066 bonds (distance) P-C4' energy: -127.778 flat angles C4'-P-C4' energy: -101.562 flat angles P-C4'-P energy: -52.324 tors. eta vs tors. theta energy: -24.819 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: 5 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -770.686325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.686325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.686325 (E_RNA) where: Base-Base interactions energy: -376.680 where: short stacking energy: -206.501 Base-Backbone interact. energy: 0.160 local terms energy: -394.165712 where: bonds (distance) C4'-P energy: -123.061 bonds (distance) P-C4' energy: -129.181 flat angles C4'-P-C4' energy: -95.858 flat angles P-C4'-P energy: -62.381 tors. eta vs tors. theta energy: 16.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2404.207286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.207286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.207286 (E_RNA) where: Base-Base interactions energy: -1613.433 where: short stacking energy: -741.150 Base-Backbone interact. energy: -3.098 local terms energy: -787.676062 where: bonds (distance) C4'-P energy: -144.048 bonds (distance) P-C4' energy: -144.506 flat angles C4'-P-C4' energy: -176.396 flat angles P-C4'-P energy: -98.636 tors. eta vs tors. theta energy: -224.091 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: 2, replica: 3 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2271.329035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.329035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.329035 (E_RNA) where: Base-Base interactions energy: -1562.261 where: short stacking energy: -677.364 Base-Backbone interact. energy: -1.278 local terms energy: -707.789652 where: bonds (distance) C4'-P energy: -113.756 bonds (distance) P-C4' energy: -166.246 flat angles C4'-P-C4' energy: -148.679 flat angles P-C4'-P energy: -104.611 tors. eta vs tors. theta energy: -174.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2251.747320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.747320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.747320 (E_RNA) where: Base-Base interactions energy: -1507.794 where: short stacking energy: -683.599 Base-Backbone interact. energy: 3.165 local terms energy: -747.118375 where: bonds (distance) C4'-P energy: -132.558 bonds (distance) P-C4' energy: -133.000 flat angles C4'-P-C4' energy: -156.115 flat angles P-C4'-P energy: -114.592 tors. eta vs tors. theta energy: -210.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2146.764182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.764182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.764182 (E_RNA) where: Base-Base interactions energy: -1433.224 where: short stacking energy: -691.721 Base-Backbone interact. energy: 3.365 local terms energy: -716.905837 where: bonds (distance) C4'-P energy: -129.927 bonds (distance) P-C4' energy: -139.109 flat angles C4'-P-C4' energy: -158.204 flat angles P-C4'-P energy: -95.506 tors. eta vs tors. theta energy: -194.159 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: 6 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1838.518560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.518560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.518560 (E_RNA) where: Base-Base interactions energy: -1181.192 where: short stacking energy: -516.411 Base-Backbone interact. energy: 9.302 local terms energy: -666.629095 where: bonds (distance) C4'-P energy: -141.784 bonds (distance) P-C4' energy: -139.663 flat angles C4'-P-C4' energy: -153.272 flat angles P-C4'-P energy: -104.003 tors. eta vs tors. theta energy: -127.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1707.238710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.238710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.238710 (E_RNA) where: Base-Base interactions energy: -1096.330 where: short stacking energy: -498.180 Base-Backbone interact. energy: -2.599 local terms energy: -608.310047 where: bonds (distance) C4'-P energy: -126.337 bonds (distance) P-C4' energy: -133.586 flat angles C4'-P-C4' energy: -136.621 flat angles P-C4'-P energy: -98.691 tors. eta vs tors. theta energy: -113.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1617.315358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.315358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.315358 (E_RNA) where: Base-Base interactions energy: -1018.579 where: short stacking energy: -478.785 Base-Backbone interact. energy: -2.296 local terms energy: -596.441169 where: bonds (distance) C4'-P energy: -126.770 bonds (distance) P-C4' energy: -135.831 flat angles C4'-P-C4' energy: -136.376 flat angles P-C4'-P energy: -77.116 tors. eta vs tors. theta energy: -120.349 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: 2 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1384.957111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.957111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.957111 (E_RNA) where: Base-Base interactions energy: -884.638 where: short stacking energy: -417.172 Base-Backbone interact. energy: -2.704 local terms energy: -497.615344 where: bonds (distance) C4'-P energy: -113.658 bonds (distance) P-C4' energy: -122.356 flat angles C4'-P-C4' energy: -119.826 flat angles P-C4'-P energy: -89.249 tors. eta vs tors. theta energy: -52.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1204.826515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.826515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.826515 (E_RNA) where: Base-Base interactions energy: -723.705 where: short stacking energy: -356.005 Base-Backbone interact. energy: 1.999 local terms energy: -483.119850 where: bonds (distance) C4'-P energy: -118.133 bonds (distance) P-C4' energy: -121.255 flat angles C4'-P-C4' energy: -139.259 flat angles P-C4'-P energy: -68.406 tors. eta vs tors. theta energy: -36.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -813.278384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.278384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.278384 (E_RNA) where: Base-Base interactions energy: -397.704 where: short stacking energy: -247.278 Base-Backbone interact. energy: 1.649 local terms energy: -417.223475 where: bonds (distance) C4'-P energy: -103.710 bonds (distance) P-C4' energy: -129.301 flat angles C4'-P-C4' energy: -115.883 flat angles P-C4'-P energy: -61.413 tors. eta vs tors. theta energy: -6.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2369.456393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.456393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.456393 (E_RNA) where: Base-Base interactions energy: -1577.286 where: short stacking energy: -736.199 Base-Backbone interact. energy: -7.114 local terms energy: -785.055756 where: bonds (distance) C4'-P energy: -132.670 bonds (distance) P-C4' energy: -168.263 flat angles C4'-P-C4' energy: -156.431 flat angles P-C4'-P energy: -112.366 tors. eta vs tors. theta energy: -215.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2348.942571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.942571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.942571 (E_RNA) where: Base-Base interactions energy: -1576.088 where: short stacking energy: -735.557 Base-Backbone interact. energy: -3.111 local terms energy: -769.743724 where: bonds (distance) C4'-P energy: -144.857 bonds (distance) P-C4' energy: -148.044 flat angles C4'-P-C4' energy: -157.758 flat angles P-C4'-P energy: -97.831 tors. eta vs tors. theta energy: -221.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2246.370873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.370873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.370873 (E_RNA) where: Base-Base interactions energy: -1520.064 where: short stacking energy: -651.329 Base-Backbone interact. energy: -1.308 local terms energy: -724.998418 where: bonds (distance) C4'-P energy: -152.067 bonds (distance) P-C4' energy: -142.071 flat angles C4'-P-C4' energy: -163.069 flat angles P-C4'-P energy: -98.993 tors. eta vs tors. theta energy: -168.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2082.294124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.294124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.294124 (E_RNA) where: Base-Base interactions energy: -1364.532 where: short stacking energy: -631.681 Base-Backbone interact. energy: -3.652 local terms energy: -714.110452 where: bonds (distance) C4'-P energy: -121.795 bonds (distance) P-C4' energy: -141.507 flat angles C4'-P-C4' energy: -171.306 flat angles P-C4'-P energy: -110.104 tors. eta vs tors. theta energy: -169.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1816.618342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.618342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.618342 (E_RNA) where: Base-Base interactions energy: -1193.644 where: short stacking energy: -556.399 Base-Backbone interact. energy: -2.262 local terms energy: -620.712584 where: bonds (distance) C4'-P energy: -117.920 bonds (distance) P-C4' energy: -126.899 flat angles C4'-P-C4' energy: -145.822 flat angles P-C4'-P energy: -91.255 tors. eta vs tors. theta energy: -138.816 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: 9 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1719.911708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.911708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.911708 (E_RNA) where: Base-Base interactions energy: -1105.074 where: short stacking energy: -521.426 Base-Backbone interact. energy: 3.589 local terms energy: -618.426543 where: bonds (distance) C4'-P energy: -136.228 bonds (distance) P-C4' energy: -141.294 flat angles C4'-P-C4' energy: -135.262 flat angles P-C4'-P energy: -79.800 tors. eta vs tors. theta energy: -125.842 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: 7, replica: 7 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1639.205023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.205023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.205023 (E_RNA) where: Base-Base interactions energy: -1068.421 where: short stacking energy: -490.765 Base-Backbone interact. energy: 8.027 local terms energy: -578.811567 where: bonds (distance) C4'-P energy: -121.263 bonds (distance) P-C4' energy: -127.040 flat angles C4'-P-C4' energy: -151.731 flat angles P-C4'-P energy: -69.137 tors. eta vs tors. theta energy: -109.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1355.194614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.194614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.194614 (E_RNA) where: Base-Base interactions energy: -849.400 where: short stacking energy: -387.091 Base-Backbone interact. energy: -0.172 local terms energy: -505.622090 where: bonds (distance) C4'-P energy: -107.949 bonds (distance) P-C4' energy: -117.877 flat angles C4'-P-C4' energy: -143.908 flat angles P-C4'-P energy: -74.189 tors. eta vs tors. theta energy: -61.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1233.077241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.077241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.077241 (E_RNA) where: Base-Base interactions energy: -739.965 where: short stacking energy: -344.522 Base-Backbone interact. energy: -1.415 local terms energy: -491.698076 where: bonds (distance) C4'-P energy: -112.766 bonds (distance) P-C4' energy: -120.757 flat angles C4'-P-C4' energy: -132.054 flat angles P-C4'-P energy: -71.764 tors. eta vs tors. theta energy: -54.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -768.086263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.086263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.086263 (E_RNA) where: Base-Base interactions energy: -389.243 where: short stacking energy: -195.556 Base-Backbone interact. energy: -2.565 local terms energy: -376.277751 where: bonds (distance) C4'-P energy: -115.007 bonds (distance) P-C4' energy: -117.033 flat angles C4'-P-C4' energy: -99.938 flat angles P-C4'-P energy: -52.839 tors. eta vs tors. theta energy: 8.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2357.723212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.723212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.723212 (E_RNA) where: Base-Base interactions energy: -1557.889 where: short stacking energy: -736.638 Base-Backbone interact. energy: -1.555 local terms energy: -798.278890 where: bonds (distance) C4'-P energy: -146.981 bonds (distance) P-C4' energy: -140.389 flat angles C4'-P-C4' energy: -179.022 flat angles P-C4'-P energy: -118.731 tors. eta vs tors. theta energy: -213.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2351.162665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.162665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.162665 (E_RNA) where: Base-Base interactions energy: -1570.659 where: short stacking energy: -714.356 Base-Backbone interact. energy: -3.248 local terms energy: -777.255812 where: bonds (distance) C4'-P energy: -148.520 bonds (distance) P-C4' energy: -142.353 flat angles C4'-P-C4' energy: -177.999 flat angles P-C4'-P energy: -109.684 tors. eta vs tors. theta energy: -198.699 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: 3 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2232.933144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.933144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.933144 (E_RNA) where: Base-Base interactions energy: -1519.754 where: short stacking energy: -666.717 Base-Backbone interact. energy: 0.114 local terms energy: -713.292695 where: bonds (distance) C4'-P energy: -136.974 bonds (distance) P-C4' energy: -144.777 flat angles C4'-P-C4' energy: -162.894 flat angles P-C4'-P energy: -83.510 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: 4, replica: 1 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2158.279978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.279978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.279978 (E_RNA) where: Base-Base interactions energy: -1447.919 where: short stacking energy: -650.014 Base-Backbone interact. energy: -3.661 local terms energy: -706.699945 where: bonds (distance) C4'-P energy: -126.189 bonds (distance) P-C4' energy: -151.284 flat angles C4'-P-C4' energy: -155.279 flat angles P-C4'-P energy: -93.401 tors. eta vs tors. theta energy: -180.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1819.471950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.471950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.471950 (E_RNA) where: Base-Base interactions energy: -1194.920 where: short stacking energy: -544.365 Base-Backbone interact. energy: -2.630 local terms energy: -621.921915 where: bonds (distance) C4'-P energy: -136.929 bonds (distance) P-C4' energy: -125.218 flat angles C4'-P-C4' energy: -135.657 flat angles P-C4'-P energy: -97.542 tors. eta vs tors. theta energy: -126.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1687.975192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.975192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.975192 (E_RNA) where: Base-Base interactions energy: -1103.398 where: short stacking energy: -512.535 Base-Backbone interact. energy: 2.853 local terms energy: -587.430244 where: bonds (distance) C4'-P energy: -120.288 bonds (distance) P-C4' energy: -143.027 flat angles C4'-P-C4' energy: -130.714 flat angles P-C4'-P energy: -86.485 tors. eta vs tors. theta energy: -106.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1609.171076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.171076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.171076 (E_RNA) where: Base-Base interactions energy: -1031.586 where: short stacking energy: -505.350 Base-Backbone interact. energy: 1.291 local terms energy: -578.876009 where: bonds (distance) C4'-P energy: -123.407 bonds (distance) P-C4' energy: -129.611 flat angles C4'-P-C4' energy: -126.656 flat angles P-C4'-P energy: -86.511 tors. eta vs tors. theta energy: -112.690 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: 2 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1390.979579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.979579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.979579 (E_RNA) where: Base-Base interactions energy: -852.070 where: short stacking energy: -372.850 Base-Backbone interact. energy: 1.561 local terms energy: -540.471167 where: bonds (distance) C4'-P energy: -122.413 bonds (distance) P-C4' energy: -143.121 flat angles C4'-P-C4' energy: -138.243 flat angles P-C4'-P energy: -67.505 tors. eta vs tors. theta energy: -69.190 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: 4 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1234.578747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.578747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.578747 (E_RNA) where: Base-Base interactions energy: -722.322 where: short stacking energy: -349.312 Base-Backbone interact. energy: -0.042 local terms energy: -512.214501 where: bonds (distance) C4'-P energy: -121.616 bonds (distance) P-C4' energy: -130.720 flat angles C4'-P-C4' energy: -112.897 flat angles P-C4'-P energy: -83.642 tors. eta vs tors. theta energy: -63.339 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: 10, replica: 5 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -680.801568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.801568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.801568 (E_RNA) where: Base-Base interactions energy: -296.668 where: short stacking energy: -184.475 Base-Backbone interact. energy: 6.385 local terms energy: -390.518890 where: bonds (distance) C4'-P energy: -126.972 bonds (distance) P-C4' energy: -113.619 flat angles C4'-P-C4' energy: -91.817 flat angles P-C4'-P energy: -62.228 tors. eta vs tors. theta energy: 4.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2352.016921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.016921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.016921 (E_RNA) where: Base-Base interactions energy: -1550.126 where: short stacking energy: -713.790 Base-Backbone interact. energy: 3.649 local terms energy: -805.540173 where: bonds (distance) C4'-P energy: -159.805 bonds (distance) P-C4' energy: -150.781 flat angles C4'-P-C4' energy: -166.505 flat angles P-C4'-P energy: -116.451 tors. eta vs tors. theta energy: -211.999 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: 8 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2368.307490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.307490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.307490 (E_RNA) where: Base-Base interactions energy: -1588.837 where: short stacking energy: -729.829 Base-Backbone interact. energy: -1.039 local terms energy: -778.431480 where: bonds (distance) C4'-P energy: -143.469 bonds (distance) P-C4' energy: -154.642 flat angles C4'-P-C4' energy: -167.650 flat angles P-C4'-P energy: -112.183 tors. eta vs tors. theta energy: -200.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2225.822445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.822445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.822445 (E_RNA) where: Base-Base interactions energy: -1492.998 where: short stacking energy: -664.899 Base-Backbone interact. energy: -5.580 local terms energy: -727.244763 where: bonds (distance) C4'-P energy: -133.406 bonds (distance) P-C4' energy: -148.622 flat angles C4'-P-C4' energy: -166.924 flat angles P-C4'-P energy: -102.855 tors. eta vs tors. theta energy: -175.437 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: 1 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2157.519308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.519308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.519308 (E_RNA) where: Base-Base interactions energy: -1448.991 where: short stacking energy: -667.711 Base-Backbone interact. energy: 0.967 local terms energy: -709.495520 where: bonds (distance) C4'-P energy: -130.891 bonds (distance) P-C4' energy: -133.582 flat angles C4'-P-C4' energy: -151.173 flat angles P-C4'-P energy: -109.199 tors. eta vs tors. theta energy: -184.650 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: 6 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1861.742145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.742145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.742145 (E_RNA) where: Base-Base interactions energy: -1199.620 where: short stacking energy: -554.027 Base-Backbone interact. energy: -3.180 local terms energy: -658.942200 where: bonds (distance) C4'-P energy: -121.792 bonds (distance) P-C4' energy: -125.761 flat angles C4'-P-C4' energy: -152.675 flat angles P-C4'-P energy: -107.932 tors. eta vs tors. theta energy: -150.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1700.196709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.196709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.196709 (E_RNA) where: Base-Base interactions energy: -1077.322 where: short stacking energy: -498.074 Base-Backbone interact. energy: -4.279 local terms energy: -618.596107 where: bonds (distance) C4'-P energy: -117.108 bonds (distance) P-C4' energy: -136.413 flat angles C4'-P-C4' energy: -149.261 flat angles P-C4'-P energy: -87.017 tors. eta vs tors. theta energy: -128.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1643.406968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.406968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.406968 (E_RNA) where: Base-Base interactions energy: -1076.928 where: short stacking energy: -502.826 Base-Backbone interact. energy: 1.161 local terms energy: -567.640237 where: bonds (distance) C4'-P energy: -100.251 bonds (distance) P-C4' energy: -141.209 flat angles C4'-P-C4' energy: -131.299 flat angles P-C4'-P energy: -79.963 tors. eta vs tors. theta energy: -114.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1391.313087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.313087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.313087 (E_RNA) where: Base-Base interactions energy: -860.231 where: short stacking energy: -400.612 Base-Backbone interact. energy: 0.206 local terms energy: -531.288642 where: bonds (distance) C4'-P energy: -132.566 bonds (distance) P-C4' energy: -137.064 flat angles C4'-P-C4' energy: -112.707 flat angles P-C4'-P energy: -60.495 tors. eta vs tors. theta energy: -88.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1198.156538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.156538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.156538 (E_RNA) where: Base-Base interactions energy: -723.585 where: short stacking energy: -322.497 Base-Backbone interact. energy: 1.687 local terms energy: -476.258022 where: bonds (distance) C4'-P energy: -122.729 bonds (distance) P-C4' energy: -117.797 flat angles C4'-P-C4' energy: -123.083 flat angles P-C4'-P energy: -79.729 tors. eta vs tors. theta energy: -32.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -709.648145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.648145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.648145 (E_RNA) where: Base-Base interactions energy: -307.204 where: short stacking energy: -177.282 Base-Backbone interact. energy: 9.269 local terms energy: -411.713115 where: bonds (distance) C4'-P energy: -100.454 bonds (distance) P-C4' energy: -134.684 flat angles C4'-P-C4' energy: -117.470 flat angles P-C4'-P energy: -76.529 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: 72 Temperature: 0.900000 Total energy: -2353.736076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.736076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.736076 (E_RNA) where: Base-Base interactions energy: -1546.901 where: short stacking energy: -720.182 Base-Backbone interact. energy: -5.834 local terms energy: -801.000964 where: bonds (distance) C4'-P energy: -149.651 bonds (distance) P-C4' energy: -146.421 flat angles C4'-P-C4' energy: -170.499 flat angles P-C4'-P energy: -115.167 tors. eta vs tors. theta energy: -219.263 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: 2, replica: 8 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2399.966096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.966096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.966096 (E_RNA) where: Base-Base interactions energy: -1592.726 where: short stacking energy: -740.506 Base-Backbone interact. energy: -1.602 local terms energy: -805.637974 where: bonds (distance) C4'-P energy: -148.052 bonds (distance) P-C4' energy: -152.633 flat angles C4'-P-C4' energy: -176.283 flat angles P-C4'-P energy: -104.509 tors. eta vs tors. theta energy: -224.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2194.397146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.397146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.397146 (E_RNA) where: Base-Base interactions energy: -1463.489 where: short stacking energy: -661.966 Base-Backbone interact. energy: -3.336 local terms energy: -727.571589 where: bonds (distance) C4'-P energy: -142.121 bonds (distance) P-C4' energy: -150.251 flat angles C4'-P-C4' energy: -140.080 flat angles P-C4'-P energy: -99.591 tors. eta vs tors. theta energy: -195.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2133.046211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.046211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.046211 (E_RNA) where: Base-Base interactions energy: -1447.697 where: short stacking energy: -670.975 Base-Backbone interact. energy: -2.715 local terms energy: -682.633637 where: bonds (distance) C4'-P energy: -120.634 bonds (distance) P-C4' energy: -136.221 flat angles C4'-P-C4' energy: -148.623 flat angles P-C4'-P energy: -90.864 tors. eta vs tors. theta energy: -186.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1832.460334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.460334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.460334 (E_RNA) where: Base-Base interactions energy: -1216.621 where: short stacking energy: -562.481 Base-Backbone interact. energy: 2.530 local terms energy: -618.369524 where: bonds (distance) C4'-P energy: -114.510 bonds (distance) P-C4' energy: -131.377 flat angles C4'-P-C4' energy: -129.507 flat angles P-C4'-P energy: -101.204 tors. eta vs tors. theta energy: -141.770 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: 9 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1668.463945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.463945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.463945 (E_RNA) where: Base-Base interactions energy: -1073.748 where: short stacking energy: -450.606 Base-Backbone interact. energy: 3.151 local terms energy: -597.866413 where: bonds (distance) C4'-P energy: -118.851 bonds (distance) P-C4' energy: -130.598 flat angles C4'-P-C4' energy: -155.632 flat angles P-C4'-P energy: -100.931 tors. eta vs tors. theta energy: -91.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1569.537382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.537382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.537382 (E_RNA) where: Base-Base interactions energy: -1020.187 where: short stacking energy: -472.821 Base-Backbone interact. energy: -0.046 local terms energy: -549.304826 where: bonds (distance) C4'-P energy: -110.151 bonds (distance) P-C4' energy: -122.013 flat angles C4'-P-C4' energy: -128.385 flat angles P-C4'-P energy: -93.501 tors. eta vs tors. theta energy: -95.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1364.245220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.245220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.245220 (E_RNA) where: Base-Base interactions energy: -865.194 where: short stacking energy: -398.407 Base-Backbone interact. energy: 1.585 local terms energy: -500.636754 where: bonds (distance) C4'-P energy: -118.402 bonds (distance) P-C4' energy: -125.108 flat angles C4'-P-C4' energy: -118.611 flat angles P-C4'-P energy: -66.946 tors. eta vs tors. theta energy: -71.570 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: 4 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1152.408734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.408734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.408734 (E_RNA) where: Base-Base interactions energy: -669.956 where: short stacking energy: -318.147 Base-Backbone interact. energy: -3.029 local terms energy: -479.423735 where: bonds (distance) C4'-P energy: -114.266 bonds (distance) P-C4' energy: -125.319 flat angles C4'-P-C4' energy: -123.965 flat angles P-C4'-P energy: -74.576 tors. eta vs tors. theta energy: -41.298 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: 10, replica: 5 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -748.249686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.249686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.249686 (E_RNA) where: Base-Base interactions energy: -352.423 where: short stacking energy: -207.969 Base-Backbone interact. energy: 1.281 local terms energy: -397.108547 where: bonds (distance) C4'-P energy: -127.489 bonds (distance) P-C4' energy: -125.153 flat angles C4'-P-C4' energy: -86.026 flat angles P-C4'-P energy: -62.222 tors. eta vs tors. theta energy: 3.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2355.599275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.599275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.599275 (E_RNA) where: Base-Base interactions energy: -1551.884 where: short stacking energy: -757.802 Base-Backbone interact. energy: -1.880 local terms energy: -801.835209 where: bonds (distance) C4'-P energy: -141.292 bonds (distance) P-C4' energy: -149.362 flat angles C4'-P-C4' energy: -166.169 flat angles P-C4'-P energy: -123.053 tors. eta vs tors. theta energy: -221.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2362.482281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.482281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.482281 (E_RNA) where: Base-Base interactions energy: -1602.573 where: short stacking energy: -734.421 Base-Backbone interact. energy: -4.231 local terms energy: -755.679165 where: bonds (distance) C4'-P energy: -131.151 bonds (distance) P-C4' energy: -150.290 flat angles C4'-P-C4' energy: -162.501 flat angles P-C4'-P energy: -102.583 tors. eta vs tors. theta energy: -209.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2196.278503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.278503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.278503 (E_RNA) where: Base-Base interactions energy: -1495.134 where: short stacking energy: -651.140 Base-Backbone interact. energy: -4.124 local terms energy: -697.020452 where: bonds (distance) C4'-P energy: -126.678 bonds (distance) P-C4' energy: -143.058 flat angles C4'-P-C4' energy: -154.590 flat angles P-C4'-P energy: -106.872 tors. eta vs tors. theta energy: -165.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2137.545939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.545939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.545939 (E_RNA) where: Base-Base interactions energy: -1443.229 where: short stacking energy: -623.680 Base-Backbone interact. energy: -3.452 local terms energy: -690.864911 where: bonds (distance) C4'-P energy: -129.836 bonds (distance) P-C4' energy: -148.642 flat angles C4'-P-C4' energy: -153.601 flat angles P-C4'-P energy: -93.924 tors. eta vs tors. theta energy: -164.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1843.239697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.239697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.239697 (E_RNA) where: Base-Base interactions energy: -1187.487 where: short stacking energy: -541.722 Base-Backbone interact. energy: -1.548 local terms energy: -654.204373 where: bonds (distance) C4'-P energy: -136.378 bonds (distance) P-C4' energy: -137.897 flat angles C4'-P-C4' energy: -152.302 flat angles P-C4'-P energy: -96.410 tors. eta vs tors. theta energy: -131.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1670.169381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.169381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.169381 (E_RNA) where: Base-Base interactions energy: -1051.339 where: short stacking energy: -507.209 Base-Backbone interact. energy: -3.055 local terms energy: -615.775899 where: bonds (distance) C4'-P energy: -131.102 bonds (distance) P-C4' energy: -124.627 flat angles C4'-P-C4' energy: -157.797 flat angles P-C4'-P energy: -88.773 tors. eta vs tors. theta energy: -113.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1562.023095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.023095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.023095 (E_RNA) where: Base-Base interactions energy: -986.419 where: short stacking energy: -455.501 Base-Backbone interact. energy: -1.871 local terms energy: -573.733237 where: bonds (distance) C4'-P energy: -126.037 bonds (distance) P-C4' energy: -144.680 flat angles C4'-P-C4' energy: -132.757 flat angles P-C4'-P energy: -89.961 tors. eta vs tors. theta energy: -80.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1380.504510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.504510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.504510 (E_RNA) where: Base-Base interactions energy: -878.054 where: short stacking energy: -391.946 Base-Backbone interact. energy: 1.205 local terms energy: -503.655232 where: bonds (distance) C4'-P energy: -130.188 bonds (distance) P-C4' energy: -114.646 flat angles C4'-P-C4' energy: -116.736 flat angles P-C4'-P energy: -60.398 tors. eta vs tors. theta energy: -81.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1171.893337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.893337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.893337 (E_RNA) where: Base-Base interactions energy: -687.076 where: short stacking energy: -360.812 Base-Backbone interact. energy: -0.565 local terms energy: -484.251653 where: bonds (distance) C4'-P energy: -117.092 bonds (distance) P-C4' energy: -122.774 flat angles C4'-P-C4' energy: -112.952 flat angles P-C4'-P energy: -70.832 tors. eta vs tors. theta energy: -60.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -723.586888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.586888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.586888 (E_RNA) where: Base-Base interactions energy: -331.514 where: short stacking energy: -203.764 Base-Backbone interact. energy: 1.797 local terms energy: -393.869906 where: bonds (distance) C4'-P energy: -101.610 bonds (distance) P-C4' energy: -117.068 flat angles C4'-P-C4' energy: -102.165 flat angles P-C4'-P energy: -71.415 tors. eta vs tors. theta energy: -1.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2471.467692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.467692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.467692 (E_RNA) where: Base-Base interactions energy: -1676.989 where: short stacking energy: -750.047 Base-Backbone interact. energy: 3.475 local terms energy: -797.953882 where: bonds (distance) C4'-P energy: -149.384 bonds (distance) P-C4' energy: -145.749 flat angles C4'-P-C4' energy: -163.690 flat angles P-C4'-P energy: -120.964 tors. eta vs tors. theta energy: -218.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2273.882211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.882211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.882211 (E_RNA) where: Base-Base interactions energy: -1493.265 where: short stacking energy: -691.604 Base-Backbone interact. energy: -5.241 local terms energy: -775.375555 where: bonds (distance) C4'-P energy: -149.534 bonds (distance) P-C4' energy: -154.617 flat angles C4'-P-C4' energy: -163.413 flat angles P-C4'-P energy: -109.738 tors. eta vs tors. theta energy: -198.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2178.685457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.685457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.685457 (E_RNA) where: Base-Base interactions energy: -1453.174 where: short stacking energy: -671.325 Base-Backbone interact. energy: 2.154 local terms energy: -727.665225 where: bonds (distance) C4'-P energy: -142.145 bonds (distance) P-C4' energy: -133.609 flat angles C4'-P-C4' energy: -151.244 flat angles P-C4'-P energy: -118.307 tors. eta vs tors. theta energy: -182.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2157.716593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.716593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.716593 (E_RNA) where: Base-Base interactions energy: -1461.500 where: short stacking energy: -644.563 Base-Backbone interact. energy: -3.242 local terms energy: -692.974462 where: bonds (distance) C4'-P energy: -138.091 bonds (distance) P-C4' energy: -118.052 flat angles C4'-P-C4' energy: -155.782 flat angles P-C4'-P energy: -102.969 tors. eta vs tors. theta energy: -178.081 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: 6 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1904.779239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.779239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.779239 (E_RNA) where: Base-Base interactions energy: -1240.919 where: short stacking energy: -563.298 Base-Backbone interact. energy: -3.449 local terms energy: -660.410701 where: bonds (distance) C4'-P energy: -120.370 bonds (distance) P-C4' energy: -148.648 flat angles C4'-P-C4' energy: -155.695 flat angles P-C4'-P energy: -92.188 tors. eta vs tors. theta energy: -143.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1683.854613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.854613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.854613 (E_RNA) where: Base-Base interactions energy: -1097.634 where: short stacking energy: -535.380 Base-Backbone interact. energy: -2.400 local terms energy: -583.820877 where: bonds (distance) C4'-P energy: -132.232 bonds (distance) P-C4' energy: -124.124 flat angles C4'-P-C4' energy: -135.019 flat angles P-C4'-P energy: -78.409 tors. eta vs tors. theta energy: -114.037 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: 7 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1608.431026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.431026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.431026 (E_RNA) where: Base-Base interactions energy: -1051.418 where: short stacking energy: -458.327 Base-Backbone interact. energy: 1.967 local terms energy: -558.980030 where: bonds (distance) C4'-P energy: -111.716 bonds (distance) P-C4' energy: -142.131 flat angles C4'-P-C4' energy: -115.774 flat angles P-C4'-P energy: -86.218 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: 8, replica: 2 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1335.345176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.345176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.345176 (E_RNA) where: Base-Base interactions energy: -808.871 where: short stacking energy: -369.174 Base-Backbone interact. energy: 2.942 local terms energy: -529.416346 where: bonds (distance) C4'-P energy: -112.521 bonds (distance) P-C4' energy: -142.850 flat angles C4'-P-C4' energy: -133.633 flat angles P-C4'-P energy: -83.839 tors. eta vs tors. theta energy: -56.573 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: 9, replica: 4 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1224.702537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.702537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.702537 (E_RNA) where: Base-Base interactions energy: -741.374 where: short stacking energy: -348.654 Base-Backbone interact. energy: 2.752 local terms energy: -486.080019 where: bonds (distance) C4'-P energy: -117.615 bonds (distance) P-C4' energy: -128.501 flat angles C4'-P-C4' energy: -122.658 flat angles P-C4'-P energy: -66.561 tors. eta vs tors. theta energy: -50.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -639.354792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.354792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.354792 (E_RNA) where: Base-Base interactions energy: -263.321 where: short stacking energy: -193.697 Base-Backbone interact. energy: 1.418 local terms energy: -377.451383 where: bonds (distance) C4'-P energy: -120.032 bonds (distance) P-C4' energy: -126.156 flat angles C4'-P-C4' energy: -89.641 flat angles P-C4'-P energy: -51.489 tors. eta vs tors. theta energy: 9.867 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: 8 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2476.107245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.107245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.107245 (E_RNA) where: Base-Base interactions energy: -1675.887 where: short stacking energy: -777.095 Base-Backbone interact. energy: -2.117 local terms energy: -798.102971 where: bonds (distance) C4'-P energy: -149.145 bonds (distance) P-C4' energy: -144.725 flat angles C4'-P-C4' energy: -168.432 flat angles P-C4'-P energy: -99.627 tors. eta vs tors. theta energy: -236.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2267.100195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.100195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.100195 (E_RNA) where: Base-Base interactions energy: -1501.901 where: short stacking energy: -722.542 Base-Backbone interact. energy: -5.752 local terms energy: -759.447196 where: bonds (distance) C4'-P energy: -132.595 bonds (distance) P-C4' energy: -138.780 flat angles C4'-P-C4' energy: -165.035 flat angles P-C4'-P energy: -102.146 tors. eta vs tors. theta energy: -220.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2172.559814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.559814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.559814 (E_RNA) where: Base-Base interactions energy: -1458.039 where: short stacking energy: -653.093 Base-Backbone interact. energy: -1.630 local terms energy: -712.890269 where: bonds (distance) C4'-P energy: -126.435 bonds (distance) P-C4' energy: -151.639 flat angles C4'-P-C4' energy: -161.231 flat angles P-C4'-P energy: -103.998 tors. eta vs tors. theta energy: -169.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2118.152608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.152608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.152608 (E_RNA) where: Base-Base interactions energy: -1424.049 where: short stacking energy: -637.432 Base-Backbone interact. energy: -2.637 local terms energy: -691.465943 where: bonds (distance) C4'-P energy: -116.368 bonds (distance) P-C4' energy: -133.825 flat angles C4'-P-C4' energy: -161.409 flat angles P-C4'-P energy: -103.624 tors. eta vs tors. theta energy: -176.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1869.874048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.874048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.874048 (E_RNA) where: Base-Base interactions energy: -1228.842 where: short stacking energy: -540.752 Base-Backbone interact. energy: 1.346 local terms energy: -642.378014 where: bonds (distance) C4'-P energy: -128.405 bonds (distance) P-C4' energy: -139.892 flat angles C4'-P-C4' energy: -149.612 flat angles P-C4'-P energy: -94.545 tors. eta vs tors. theta energy: -129.924 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: 6, replica: 9 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1743.037864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.037864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.037864 (E_RNA) where: Base-Base interactions energy: -1088.553 where: short stacking energy: -515.970 Base-Backbone interact. energy: -0.217 local terms energy: -654.267769 where: bonds (distance) C4'-P energy: -131.915 bonds (distance) P-C4' energy: -138.956 flat angles C4'-P-C4' energy: -144.451 flat angles P-C4'-P energy: -94.573 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: 7 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1667.743302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.743302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.743302 (E_RNA) where: Base-Base interactions energy: -1098.401 where: short stacking energy: -510.997 Base-Backbone interact. energy: -3.004 local terms energy: -566.338315 where: bonds (distance) C4'-P energy: -116.517 bonds (distance) P-C4' energy: -113.023 flat angles C4'-P-C4' energy: -136.368 flat angles P-C4'-P energy: -78.907 tors. eta vs tors. theta energy: -121.524 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: 2 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1319.396799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.396799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.396799 (E_RNA) where: Base-Base interactions energy: -814.488 where: short stacking energy: -376.656 Base-Backbone interact. energy: -3.738 local terms energy: -501.170928 where: bonds (distance) C4'-P energy: -118.264 bonds (distance) P-C4' energy: -129.717 flat angles C4'-P-C4' energy: -121.810 flat angles P-C4'-P energy: -78.799 tors. eta vs tors. theta energy: -52.580 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: 4 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1154.933589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.933589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.933589 (E_RNA) where: Base-Base interactions energy: -666.762 where: short stacking energy: -330.316 Base-Backbone interact. energy: -2.442 local terms energy: -485.729380 where: bonds (distance) C4'-P energy: -116.473 bonds (distance) P-C4' energy: -142.324 flat angles C4'-P-C4' energy: -123.943 flat angles P-C4'-P energy: -54.487 tors. eta vs tors. theta energy: -48.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -731.069018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.069018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.069018 (E_RNA) where: Base-Base interactions energy: -314.445 where: short stacking energy: -193.240 Base-Backbone interact. energy: -0.162 local terms energy: -416.462479 where: bonds (distance) C4'-P energy: -116.817 bonds (distance) P-C4' energy: -131.005 flat angles C4'-P-C4' energy: -86.361 flat angles P-C4'-P energy: -92.357 tors. eta vs tors. theta energy: 10.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2477.791845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.791845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.791845 (E_RNA) where: Base-Base interactions energy: -1682.015 where: short stacking energy: -769.765 Base-Backbone interact. energy: -0.565 local terms energy: -795.212058 where: bonds (distance) C4'-P energy: -150.984 bonds (distance) P-C4' energy: -149.180 flat angles C4'-P-C4' energy: -168.400 flat angles P-C4'-P energy: -106.080 tors. eta vs tors. theta energy: -220.568 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: 10 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2263.221642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.221642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.221642 (E_RNA) where: Base-Base interactions energy: -1501.270 where: short stacking energy: -710.656 Base-Backbone interact. energy: 0.164 local terms energy: -762.115616 where: bonds (distance) C4'-P energy: -138.056 bonds (distance) P-C4' energy: -152.218 flat angles C4'-P-C4' energy: -167.794 flat angles P-C4'-P energy: -107.533 tors. eta vs tors. theta energy: -196.514 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: 1 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2252.963894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.963894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.963894 (E_RNA) where: Base-Base interactions energy: -1497.624 where: short stacking energy: -675.663 Base-Backbone interact. energy: -3.292 local terms energy: -752.047831 where: bonds (distance) C4'-P energy: -145.236 bonds (distance) P-C4' energy: -143.524 flat angles C4'-P-C4' energy: -161.275 flat angles P-C4'-P energy: -104.175 tors. eta vs tors. theta energy: -197.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2060.110708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.110708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.110708 (E_RNA) where: Base-Base interactions energy: -1371.961 where: short stacking energy: -606.183 Base-Backbone interact. energy: 0.991 local terms energy: -689.140679 where: bonds (distance) C4'-P energy: -120.686 bonds (distance) P-C4' energy: -147.092 flat angles C4'-P-C4' energy: -144.709 flat angles P-C4'-P energy: -102.301 tors. eta vs tors. theta energy: -174.353 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: 6 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1862.569224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.569224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.569224 (E_RNA) where: Base-Base interactions energy: -1240.173 where: short stacking energy: -548.145 Base-Backbone interact. energy: -1.134 local terms energy: -621.262112 where: bonds (distance) C4'-P energy: -121.408 bonds (distance) P-C4' energy: -139.175 flat angles C4'-P-C4' energy: -144.444 flat angles P-C4'-P energy: -94.700 tors. eta vs tors. theta energy: -121.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1798.856929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.856929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.856929 (E_RNA) where: Base-Base interactions energy: -1181.909 where: short stacking energy: -557.982 Base-Backbone interact. energy: -5.149 local terms energy: -611.799324 where: bonds (distance) C4'-P energy: -126.453 bonds (distance) P-C4' energy: -127.640 flat angles C4'-P-C4' energy: -127.453 flat angles P-C4'-P energy: -92.556 tors. eta vs tors. theta energy: -137.697 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: 7 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1667.957446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.957446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.957446 (E_RNA) where: Base-Base interactions energy: -1086.160 where: short stacking energy: -485.440 Base-Backbone interact. energy: -0.459 local terms energy: -581.337786 where: bonds (distance) C4'-P energy: -109.551 bonds (distance) P-C4' energy: -144.517 flat angles C4'-P-C4' energy: -132.930 flat angles P-C4'-P energy: -83.492 tors. eta vs tors. theta energy: -110.848 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: 2 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1317.896964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.896964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.896964 (E_RNA) where: Base-Base interactions energy: -866.475 where: short stacking energy: -402.794 Base-Backbone interact. energy: 0.000 local terms energy: -451.421931 where: bonds (distance) C4'-P energy: -124.782 bonds (distance) P-C4' energy: -115.037 flat angles C4'-P-C4' energy: -104.022 flat angles P-C4'-P energy: -67.227 tors. eta vs tors. theta energy: -40.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1118.656905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.656905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.656905 (E_RNA) where: Base-Base interactions energy: -676.907 where: short stacking energy: -320.649 Base-Backbone interact. energy: 7.731 local terms energy: -449.480960 where: bonds (distance) C4'-P energy: -114.650 bonds (distance) P-C4' energy: -109.369 flat angles C4'-P-C4' energy: -112.433 flat angles P-C4'-P energy: -88.679 tors. eta vs tors. theta energy: -24.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -688.056840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.056840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.056840 (E_RNA) where: Base-Base interactions energy: -312.633 where: short stacking energy: -182.155 Base-Backbone interact. energy: 1.762 local terms energy: -377.186167 where: bonds (distance) C4'-P energy: -124.698 bonds (distance) P-C4' energy: -120.642 flat angles C4'-P-C4' energy: -104.991 flat angles P-C4'-P energy: -64.378 tors. eta vs tors. theta energy: 37.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2502.426752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.426752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.426752 (E_RNA) where: Base-Base interactions energy: -1703.553 where: short stacking energy: -786.826 Base-Backbone interact. energy: -3.342 local terms energy: -795.531434 where: bonds (distance) C4'-P energy: -154.281 bonds (distance) P-C4' energy: -135.389 flat angles C4'-P-C4' energy: -179.805 flat angles P-C4'-P energy: -101.780 tors. eta vs tors. theta energy: -224.276 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: 1 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2295.212990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.212990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.212990 (E_RNA) where: Base-Base interactions energy: -1536.811 where: short stacking energy: -708.607 Base-Backbone interact. energy: -0.736 local terms energy: -757.665898 where: bonds (distance) C4'-P energy: -142.624 bonds (distance) P-C4' energy: -148.175 flat angles C4'-P-C4' energy: -165.497 flat angles P-C4'-P energy: -106.254 tors. eta vs tors. theta energy: -195.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2167.694043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.694043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.694043 (E_RNA) where: Base-Base interactions energy: -1448.842 where: short stacking energy: -659.684 Base-Backbone interact. energy: 1.199 local terms energy: -720.051049 where: bonds (distance) C4'-P energy: -145.230 bonds (distance) P-C4' energy: -122.974 flat angles C4'-P-C4' energy: -155.990 flat angles P-C4'-P energy: -106.343 tors. eta vs tors. theta energy: -189.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2063.724165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.724165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.724165 (E_RNA) where: Base-Base interactions energy: -1358.356 where: short stacking energy: -615.223 Base-Backbone interact. energy: -3.064 local terms energy: -702.304549 where: bonds (distance) C4'-P energy: -138.389 bonds (distance) P-C4' energy: -141.662 flat angles C4'-P-C4' energy: -162.085 flat angles P-C4'-P energy: -112.551 tors. eta vs tors. theta energy: -147.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1892.740284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.740284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.740284 (E_RNA) where: Base-Base interactions energy: -1236.619 where: short stacking energy: -564.824 Base-Backbone interact. energy: -0.056 local terms energy: -656.066202 where: bonds (distance) C4'-P energy: -126.894 bonds (distance) P-C4' energy: -149.394 flat angles C4'-P-C4' energy: -153.207 flat angles P-C4'-P energy: -93.663 tors. eta vs tors. theta energy: -132.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1765.842344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.842344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.842344 (E_RNA) where: Base-Base interactions energy: -1143.101 where: short stacking energy: -530.766 Base-Backbone interact. energy: -1.941 local terms energy: -620.800374 where: bonds (distance) C4'-P energy: -131.065 bonds (distance) P-C4' energy: -127.984 flat angles C4'-P-C4' energy: -146.703 flat angles P-C4'-P energy: -99.888 tors. eta vs tors. theta energy: -115.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1658.722111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.722111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.722111 (E_RNA) where: Base-Base interactions energy: -1074.498 where: short stacking energy: -483.624 Base-Backbone interact. energy: -1.700 local terms energy: -582.524355 where: bonds (distance) C4'-P energy: -127.343 bonds (distance) P-C4' energy: -126.866 flat angles C4'-P-C4' energy: -132.757 flat angles P-C4'-P energy: -77.905 tors. eta vs tors. theta energy: -117.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1312.698845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.698845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.698845 (E_RNA) where: Base-Base interactions energy: -830.347 where: short stacking energy: -400.244 Base-Backbone interact. energy: 5.804 local terms energy: -488.156221 where: bonds (distance) C4'-P energy: -121.953 bonds (distance) P-C4' energy: -112.837 flat angles C4'-P-C4' energy: -113.256 flat angles P-C4'-P energy: -80.287 tors. eta vs tors. theta energy: -59.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1155.286472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.286472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.286472 (E_RNA) where: Base-Base interactions energy: -683.970 where: short stacking energy: -327.296 Base-Backbone interact. energy: -1.076 local terms energy: -470.240829 where: bonds (distance) C4'-P energy: -114.976 bonds (distance) P-C4' energy: -114.295 flat angles C4'-P-C4' energy: -112.634 flat angles P-C4'-P energy: -72.874 tors. eta vs tors. theta energy: -55.461 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: 5 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -680.222718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.222718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.222718 (E_RNA) where: Base-Base interactions energy: -300.830 where: short stacking energy: -191.020 Base-Backbone interact. energy: 2.656 local terms energy: -382.048730 where: bonds (distance) C4'-P energy: -112.669 bonds (distance) P-C4' energy: -126.090 flat angles C4'-P-C4' energy: -104.099 flat angles P-C4'-P energy: -68.436 tors. eta vs tors. theta energy: 29.245 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: 8 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2535.239464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.239464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.239464 (E_RNA) where: Base-Base interactions energy: -1732.044 where: short stacking energy: -771.356 Base-Backbone interact. energy: 1.310 local terms energy: -804.504661 where: bonds (distance) C4'-P energy: -139.294 bonds (distance) P-C4' energy: -144.448 flat angles C4'-P-C4' energy: -166.133 flat angles P-C4'-P energy: -122.516 tors. eta vs tors. theta energy: -232.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2289.597304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.597304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.597304 (E_RNA) where: Base-Base interactions energy: -1526.900 where: short stacking energy: -718.833 Base-Backbone interact. energy: 3.651 local terms energy: -766.348532 where: bonds (distance) C4'-P energy: -141.794 bonds (distance) P-C4' energy: -138.415 flat angles C4'-P-C4' energy: -172.790 flat angles P-C4'-P energy: -106.467 tors. eta vs tors. theta energy: -206.882 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: 78 Temperature: 1.000000 Total energy: -2129.375941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.375941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.375941 (E_RNA) where: Base-Base interactions energy: -1432.614 where: short stacking energy: -671.684 Base-Backbone interact. energy: 0.516 local terms energy: -697.278052 where: bonds (distance) C4'-P energy: -120.311 bonds (distance) P-C4' energy: -134.765 flat angles C4'-P-C4' energy: -171.851 flat angles P-C4'-P energy: -96.562 tors. eta vs tors. theta energy: -173.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2073.083061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.083061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.083061 (E_RNA) where: Base-Base interactions energy: -1354.179 where: short stacking energy: -622.459 Base-Backbone interact. energy: 2.489 local terms energy: -721.392833 where: bonds (distance) C4'-P energy: -142.899 bonds (distance) P-C4' energy: -143.892 flat angles C4'-P-C4' energy: -160.349 flat angles P-C4'-P energy: -103.014 tors. eta vs tors. theta energy: -171.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1862.162906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.162906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.162906 (E_RNA) where: Base-Base interactions energy: -1225.080 where: short stacking energy: -547.831 Base-Backbone interact. energy: 0.596 local terms energy: -637.678504 where: bonds (distance) C4'-P energy: -113.409 bonds (distance) P-C4' energy: -137.940 flat angles C4'-P-C4' energy: -152.072 flat angles P-C4'-P energy: -94.904 tors. eta vs tors. theta energy: -139.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1731.480172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.480172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.480172 (E_RNA) where: Base-Base interactions energy: -1149.771 where: short stacking energy: -501.409 Base-Backbone interact. energy: -1.010 local terms energy: -580.698808 where: bonds (distance) C4'-P energy: -137.315 bonds (distance) P-C4' energy: -130.862 flat angles C4'-P-C4' energy: -123.566 flat angles P-C4'-P energy: -78.026 tors. eta vs tors. theta energy: -110.929 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: 7 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1658.500856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.500856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.500856 (E_RNA) where: Base-Base interactions energy: -1074.913 where: short stacking energy: -517.341 Base-Backbone interact. energy: 1.949 local terms energy: -585.537065 where: bonds (distance) C4'-P energy: -119.610 bonds (distance) P-C4' energy: -126.697 flat angles C4'-P-C4' energy: -126.208 flat angles P-C4'-P energy: -89.171 tors. eta vs tors. theta energy: -123.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1393.353356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.353356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.353356 (E_RNA) where: Base-Base interactions energy: -852.746 where: short stacking energy: -408.770 Base-Backbone interact. energy: -2.520 local terms energy: -538.087057 where: bonds (distance) C4'-P energy: -118.398 bonds (distance) P-C4' energy: -120.123 flat angles C4'-P-C4' energy: -135.933 flat angles P-C4'-P energy: -76.685 tors. eta vs tors. theta energy: -86.947 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: 4 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1203.132959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.132959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.132959 (E_RNA) where: Base-Base interactions energy: -723.357 where: short stacking energy: -366.207 Base-Backbone interact. energy: 2.732 local terms energy: -482.507538 where: bonds (distance) C4'-P energy: -118.019 bonds (distance) P-C4' energy: -116.588 flat angles C4'-P-C4' energy: -108.113 flat angles P-C4'-P energy: -77.470 tors. eta vs tors. theta energy: -62.318 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: 5 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -687.384920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.384920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.384920 (E_RNA) where: Base-Base interactions energy: -315.392 where: short stacking energy: -186.100 Base-Backbone interact. energy: 1.561 local terms energy: -373.554454 where: bonds (distance) C4'-P energy: -106.919 bonds (distance) P-C4' energy: -113.716 flat angles C4'-P-C4' energy: -93.922 flat angles P-C4'-P energy: -65.581 tors. eta vs tors. theta energy: 6.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2520.880903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.880903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.880903 (E_RNA) where: Base-Base interactions energy: -1719.067 where: short stacking energy: -788.457 Base-Backbone interact. energy: -2.968 local terms energy: -798.845643 where: bonds (distance) C4'-P energy: -132.802 bonds (distance) P-C4' energy: -153.945 flat angles C4'-P-C4' energy: -168.044 flat angles P-C4'-P energy: -113.710 tors. eta vs tors. theta energy: -230.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2299.898489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.898489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.898489 (E_RNA) where: Base-Base interactions energy: -1540.045 where: short stacking energy: -714.587 Base-Backbone interact. energy: -1.848 local terms energy: -758.005970 where: bonds (distance) C4'-P energy: -155.914 bonds (distance) P-C4' energy: -136.113 flat angles C4'-P-C4' energy: -157.953 flat angles P-C4'-P energy: -112.098 tors. eta vs tors. theta energy: -195.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2200.239144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.239144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.239144 (E_RNA) where: Base-Base interactions energy: -1496.619 where: short stacking energy: -658.118 Base-Backbone interact. energy: -1.480 local terms energy: -702.139991 where: bonds (distance) C4'-P energy: -136.417 bonds (distance) P-C4' energy: -152.427 flat angles C4'-P-C4' energy: -157.230 flat angles P-C4'-P energy: -85.029 tors. eta vs tors. theta energy: -171.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2061.990152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.990152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.990152 (E_RNA) where: Base-Base interactions energy: -1369.252 where: short stacking energy: -609.049 Base-Backbone interact. energy: -0.669 local terms energy: -692.069603 where: bonds (distance) C4'-P energy: -134.110 bonds (distance) P-C4' energy: -130.607 flat angles C4'-P-C4' energy: -164.091 flat angles P-C4'-P energy: -94.204 tors. eta vs tors. theta energy: -169.058 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: 6 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1827.553056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.553056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.553056 (E_RNA) where: Base-Base interactions energy: -1228.310 where: short stacking energy: -552.311 Base-Backbone interact. energy: 6.790 local terms energy: -606.033102 where: bonds (distance) C4'-P energy: -118.525 bonds (distance) P-C4' energy: -129.866 flat angles C4'-P-C4' energy: -131.427 flat angles P-C4'-P energy: -87.623 tors. eta vs tors. theta energy: -138.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1744.576655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.576655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.576655 (E_RNA) where: Base-Base interactions energy: -1129.959 where: short stacking energy: -508.009 Base-Backbone interact. energy: -2.590 local terms energy: -612.027648 where: bonds (distance) C4'-P energy: -126.358 bonds (distance) P-C4' energy: -135.204 flat angles C4'-P-C4' energy: -127.725 flat angles P-C4'-P energy: -92.782 tors. eta vs tors. theta energy: -129.958 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: 7 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1605.030932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.030932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.030932 (E_RNA) where: Base-Base interactions energy: -1001.022 where: short stacking energy: -470.459 Base-Backbone interact. energy: 1.304 local terms energy: -605.312976 where: bonds (distance) C4'-P energy: -125.656 bonds (distance) P-C4' energy: -141.045 flat angles C4'-P-C4' energy: -128.996 flat angles P-C4'-P energy: -96.265 tors. eta vs tors. theta energy: -113.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1275.526524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.526524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.526524 (E_RNA) where: Base-Base interactions energy: -780.553 where: short stacking energy: -369.828 Base-Backbone interact. energy: -1.329 local terms energy: -493.644537 where: bonds (distance) C4'-P energy: -112.592 bonds (distance) P-C4' energy: -134.136 flat angles C4'-P-C4' energy: -109.257 flat angles P-C4'-P energy: -73.588 tors. eta vs tors. theta energy: -64.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1186.210032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.210032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.210032 (E_RNA) where: Base-Base interactions energy: -715.106 where: short stacking energy: -300.968 Base-Backbone interact. energy: 1.858 local terms energy: -472.962550 where: bonds (distance) C4'-P energy: -108.696 bonds (distance) P-C4' energy: -134.817 flat angles C4'-P-C4' energy: -115.345 flat angles P-C4'-P energy: -69.944 tors. eta vs tors. theta energy: -44.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -683.551922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.551922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.551922 (E_RNA) where: Base-Base interactions energy: -283.123 where: short stacking energy: -201.476 Base-Backbone interact. energy: 5.257 local terms energy: -405.686239 where: bonds (distance) C4'-P energy: -113.920 bonds (distance) P-C4' energy: -126.494 flat angles C4'-P-C4' energy: -122.975 flat angles P-C4'-P energy: -55.051 tors. eta vs tors. theta energy: 12.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2531.045617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.045617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.045617 (E_RNA) where: Base-Base interactions energy: -1739.768 where: short stacking energy: -753.804 Base-Backbone interact. energy: -4.823 local terms energy: -786.453931 where: bonds (distance) C4'-P energy: -155.024 bonds (distance) P-C4' energy: -138.976 flat angles C4'-P-C4' energy: -164.213 flat angles P-C4'-P energy: -106.881 tors. eta vs tors. theta energy: -221.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2351.961157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.961157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.961157 (E_RNA) where: Base-Base interactions energy: -1589.937 where: short stacking energy: -721.332 Base-Backbone interact. energy: 1.230 local terms energy: -763.254654 where: bonds (distance) C4'-P energy: -128.686 bonds (distance) P-C4' energy: -147.393 flat angles C4'-P-C4' energy: -165.977 flat angles P-C4'-P energy: -110.131 tors. eta vs tors. theta energy: -211.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2186.047354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.047354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.047354 (E_RNA) where: Base-Base interactions energy: -1487.787 where: short stacking energy: -654.616 Base-Backbone interact. energy: -3.558 local terms energy: -694.701842 where: bonds (distance) C4'-P energy: -142.257 bonds (distance) P-C4' energy: -126.539 flat angles C4'-P-C4' energy: -156.922 flat angles P-C4'-P energy: -109.287 tors. eta vs tors. theta energy: -159.696 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: 10 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2069.133337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.133337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.133337 (E_RNA) where: Base-Base interactions energy: -1393.582 where: short stacking energy: -634.114 Base-Backbone interact. energy: -3.888 local terms energy: -671.663645 where: bonds (distance) C4'-P energy: -128.923 bonds (distance) P-C4' energy: -129.801 flat angles C4'-P-C4' energy: -146.040 flat angles P-C4'-P energy: -92.115 tors. eta vs tors. theta energy: -174.785 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: 5, replica: 6 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1843.925439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.925439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.925439 (E_RNA) where: Base-Base interactions energy: -1206.569 where: short stacking energy: -522.837 Base-Backbone interact. energy: -3.841 local terms energy: -633.515190 where: bonds (distance) C4'-P energy: -120.119 bonds (distance) P-C4' energy: -130.221 flat angles C4'-P-C4' energy: -145.455 flat angles P-C4'-P energy: -113.746 tors. eta vs tors. theta energy: -123.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1737.843569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.843569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.843569 (E_RNA) where: Base-Base interactions energy: -1114.414 where: short stacking energy: -506.641 Base-Backbone interact. energy: -2.773 local terms energy: -620.656451 where: bonds (distance) C4'-P energy: -130.493 bonds (distance) P-C4' energy: -139.819 flat angles C4'-P-C4' energy: -131.445 flat angles P-C4'-P energy: -93.170 tors. eta vs tors. theta energy: -125.730 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: 7, replica: 7 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1580.094129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.094129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.094129 (E_RNA) where: Base-Base interactions energy: -1027.557 where: short stacking energy: -465.733 Base-Backbone interact. energy: -0.329 local terms energy: -552.208001 where: bonds (distance) C4'-P energy: -114.047 bonds (distance) P-C4' energy: -129.594 flat angles C4'-P-C4' energy: -125.497 flat angles P-C4'-P energy: -84.063 tors. eta vs tors. theta energy: -99.006 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: 4 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1147.143971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.143971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.143971 (E_RNA) where: Base-Base interactions energy: -639.754 where: short stacking energy: -319.268 Base-Backbone interact. energy: -2.507 local terms energy: -504.883392 where: bonds (distance) C4'-P energy: -115.199 bonds (distance) P-C4' energy: -122.117 flat angles C4'-P-C4' energy: -125.092 flat angles P-C4'-P energy: -89.029 tors. eta vs tors. theta energy: -53.447 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: 2 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1209.944135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.944135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.944135 (E_RNA) where: Base-Base interactions energy: -723.716 where: short stacking energy: -344.753 Base-Backbone interact. energy: 0.648 local terms energy: -486.875668 where: bonds (distance) C4'-P energy: -130.986 bonds (distance) P-C4' energy: -136.958 flat angles C4'-P-C4' energy: -114.133 flat angles P-C4'-P energy: -60.812 tors. eta vs tors. theta energy: -43.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -684.866297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.866297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.866297 (E_RNA) where: Base-Base interactions energy: -294.047 where: short stacking energy: -206.446 Base-Backbone interact. energy: 4.091 local terms energy: -394.910047 where: bonds (distance) C4'-P energy: -104.375 bonds (distance) P-C4' energy: -114.731 flat angles C4'-P-C4' energy: -110.819 flat angles P-C4'-P energy: -79.411 tors. eta vs tors. theta energy: 14.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2548.582187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.582187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.582187 (E_RNA) where: Base-Base interactions energy: -1738.348 where: short stacking energy: -784.735 Base-Backbone interact. energy: -2.711 local terms energy: -807.523101 where: bonds (distance) C4'-P energy: -136.751 bonds (distance) P-C4' energy: -146.731 flat angles C4'-P-C4' energy: -175.315 flat angles P-C4'-P energy: -119.212 tors. eta vs tors. theta energy: -229.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2328.193970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.193970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.193970 (E_RNA) where: Base-Base interactions energy: -1561.597 where: short stacking energy: -712.462 Base-Backbone interact. energy: -0.616 local terms energy: -765.981264 where: bonds (distance) C4'-P energy: -148.537 bonds (distance) P-C4' energy: -142.734 flat angles C4'-P-C4' energy: -171.384 flat angles P-C4'-P energy: -106.169 tors. eta vs tors. theta energy: -197.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2158.912279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.912279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.912279 (E_RNA) where: Base-Base interactions energy: -1453.087 where: short stacking energy: -590.267 Base-Backbone interact. energy: 0.927 local terms energy: -706.751875 where: bonds (distance) C4'-P energy: -134.054 bonds (distance) P-C4' energy: -152.091 flat angles C4'-P-C4' energy: -161.855 flat angles P-C4'-P energy: -107.939 tors. eta vs tors. theta energy: -150.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2028.344319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.344319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.344319 (E_RNA) where: Base-Base interactions energy: -1371.127 where: short stacking energy: -621.409 Base-Backbone interact. energy: -5.066 local terms energy: -652.151466 where: bonds (distance) C4'-P energy: -126.850 bonds (distance) P-C4' energy: -129.650 flat angles C4'-P-C4' energy: -141.374 flat angles P-C4'-P energy: -90.191 tors. eta vs tors. theta energy: -164.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1912.726093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.726093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.726093 (E_RNA) where: Base-Base interactions energy: -1266.917 where: short stacking energy: -578.616 Base-Backbone interact. energy: -2.220 local terms energy: -643.589453 where: bonds (distance) C4'-P energy: -125.520 bonds (distance) P-C4' energy: -137.709 flat angles C4'-P-C4' energy: -136.629 flat angles P-C4'-P energy: -96.582 tors. eta vs tors. theta energy: -147.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1809.878456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.878456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.878456 (E_RNA) where: Base-Base interactions energy: -1173.403 where: short stacking energy: -542.297 Base-Backbone interact. energy: -0.860 local terms energy: -635.614890 where: bonds (distance) C4'-P energy: -134.219 bonds (distance) P-C4' energy: -131.731 flat angles C4'-P-C4' energy: -147.007 flat angles P-C4'-P energy: -83.236 tors. eta vs tors. theta energy: -139.422 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: 7 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1605.379758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.379758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.379758 (E_RNA) where: Base-Base interactions energy: -997.932 where: short stacking energy: -489.084 Base-Backbone interact. energy: -2.772 local terms energy: -604.676149 where: bonds (distance) C4'-P energy: -134.136 bonds (distance) P-C4' energy: -121.607 flat angles C4'-P-C4' energy: -142.902 flat angles P-C4'-P energy: -89.983 tors. eta vs tors. theta energy: -116.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1220.687567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.687567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.687567 (E_RNA) where: Base-Base interactions energy: -747.386 where: short stacking energy: -385.614 Base-Backbone interact. energy: 2.188 local terms energy: -475.490487 where: bonds (distance) C4'-P energy: -102.654 bonds (distance) P-C4' energy: -114.045 flat angles C4'-P-C4' energy: -121.325 flat angles P-C4'-P energy: -78.698 tors. eta vs tors. theta energy: -58.768 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: 4 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -1137.712850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.712850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.712850 (E_RNA) where: Base-Base interactions energy: -648.506 where: short stacking energy: -318.554 Base-Backbone interact. energy: 3.812 local terms energy: -493.019417 where: bonds (distance) C4'-P energy: -124.839 bonds (distance) P-C4' energy: -114.705 flat angles C4'-P-C4' energy: -135.005 flat angles P-C4'-P energy: -70.740 tors. eta vs tors. theta energy: -47.731 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: 5 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -722.394607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.394607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.394607 (E_RNA) where: Base-Base interactions energy: -338.310 where: short stacking energy: -208.824 Base-Backbone interact. energy: 11.585 local terms energy: -395.669836 where: bonds (distance) C4'-P energy: -112.179 bonds (distance) P-C4' energy: -120.127 flat angles C4'-P-C4' energy: -106.976 flat angles P-C4'-P energy: -62.969 tors. eta vs tors. theta energy: 6.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2516.971738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.971738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.971738 (E_RNA) where: Base-Base interactions energy: -1713.114 where: short stacking energy: -759.203 Base-Backbone interact. energy: -2.713 local terms energy: -801.145041 where: bonds (distance) C4'-P energy: -154.091 bonds (distance) P-C4' energy: -148.292 flat angles C4'-P-C4' energy: -175.744 flat angles P-C4'-P energy: -110.625 tors. eta vs tors. theta energy: -212.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2326.727006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.727006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.727006 (E_RNA) where: Base-Base interactions energy: -1569.059 where: short stacking energy: -699.425 Base-Backbone interact. energy: 0.366 local terms energy: -758.034192 where: bonds (distance) C4'-P energy: -147.174 bonds (distance) P-C4' energy: -155.502 flat angles C4'-P-C4' energy: -162.043 flat angles P-C4'-P energy: -90.935 tors. eta vs tors. theta energy: -202.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2160.611812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.611812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.611812 (E_RNA) where: Base-Base interactions energy: -1462.749 where: short stacking energy: -625.095 Base-Backbone interact. energy: -4.276 local terms energy: -693.587623 where: bonds (distance) C4'-P energy: -134.853 bonds (distance) P-C4' energy: -144.875 flat angles C4'-P-C4' energy: -147.399 flat angles P-C4'-P energy: -109.768 tors. eta vs tors. theta energy: -156.692 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: 10 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2007.334426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.334426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.334426 (E_RNA) where: Base-Base interactions energy: -1311.843 where: short stacking energy: -589.942 Base-Backbone interact. energy: -3.528 local terms energy: -691.963117 where: bonds (distance) C4'-P energy: -142.421 bonds (distance) P-C4' energy: -131.693 flat angles C4'-P-C4' energy: -144.417 flat angles P-C4'-P energy: -101.768 tors. eta vs tors. theta energy: -171.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1841.017807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.017807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.017807 (E_RNA) where: Base-Base interactions energy: -1213.745 where: short stacking energy: -528.421 Base-Backbone interact. energy: -1.691 local terms energy: -625.581916 where: bonds (distance) C4'-P energy: -127.446 bonds (distance) P-C4' energy: -126.815 flat angles C4'-P-C4' energy: -148.436 flat angles P-C4'-P energy: -92.938 tors. eta vs tors. theta energy: -129.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1740.536195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.536195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.536195 (E_RNA) where: Base-Base interactions energy: -1139.947 where: short stacking energy: -520.499 Base-Backbone interact. energy: -2.106 local terms energy: -598.483524 where: bonds (distance) C4'-P energy: -133.014 bonds (distance) P-C4' energy: -128.343 flat angles C4'-P-C4' energy: -129.178 flat angles P-C4'-P energy: -86.961 tors. eta vs tors. theta energy: -120.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1596.203046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.203046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.203046 (E_RNA) where: Base-Base interactions energy: -1003.621 where: short stacking energy: -493.708 Base-Backbone interact. energy: -0.361 local terms energy: -592.221033 where: bonds (distance) C4'-P energy: -125.293 bonds (distance) P-C4' energy: -124.043 flat angles C4'-P-C4' energy: -142.139 flat angles P-C4'-P energy: -87.763 tors. eta vs tors. theta energy: -112.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1250.097230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.097230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.097230 (E_RNA) where: Base-Base interactions energy: -769.997 where: short stacking energy: -382.231 Base-Backbone interact. energy: -0.448 local terms energy: -479.651572 where: bonds (distance) C4'-P energy: -99.381 bonds (distance) P-C4' energy: -116.008 flat angles C4'-P-C4' energy: -113.002 flat angles P-C4'-P energy: -84.783 tors. eta vs tors. theta energy: -66.478 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: 4 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1206.738168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.738168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.738168 (E_RNA) where: Base-Base interactions energy: -732.653 where: short stacking energy: -355.689 Base-Backbone interact. energy: -1.417 local terms energy: -472.668142 where: bonds (distance) C4'-P energy: -106.616 bonds (distance) P-C4' energy: -107.270 flat angles C4'-P-C4' energy: -135.846 flat angles P-C4'-P energy: -79.026 tors. eta vs tors. theta energy: -43.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -731.256321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.256321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.256321 (E_RNA) where: Base-Base interactions energy: -347.438 where: short stacking energy: -205.000 Base-Backbone interact. energy: -1.163 local terms energy: -382.654911 where: bonds (distance) C4'-P energy: -121.157 bonds (distance) P-C4' energy: -116.331 flat angles C4'-P-C4' energy: -104.950 flat angles P-C4'-P energy: -54.394 tors. eta vs tors. theta energy: 14.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2510.980790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.980790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.980790 (E_RNA) where: Base-Base interactions energy: -1709.483 where: short stacking energy: -782.671 Base-Backbone interact. energy: 0.710 local terms energy: -802.208135 where: bonds (distance) C4'-P energy: -135.860 bonds (distance) P-C4' energy: -158.628 flat angles C4'-P-C4' energy: -180.712 flat angles P-C4'-P energy: -107.399 tors. eta vs tors. theta energy: -219.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2320.002303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.002303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.002303 (E_RNA) where: Base-Base interactions energy: -1532.124 where: short stacking energy: -704.205 Base-Backbone interact. energy: -1.159 local terms energy: -786.719341 where: bonds (distance) C4'-P energy: -157.302 bonds (distance) P-C4' energy: -162.797 flat angles C4'-P-C4' energy: -176.225 flat angles P-C4'-P energy: -93.880 tors. eta vs tors. theta energy: -196.515 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: 3 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2227.100165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.100165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.100165 (E_RNA) where: Base-Base interactions energy: -1510.332 where: short stacking energy: -678.676 Base-Backbone interact. energy: 0.897 local terms energy: -717.665347 where: bonds (distance) C4'-P energy: -138.608 bonds (distance) P-C4' energy: -146.930 flat angles C4'-P-C4' energy: -143.070 flat angles P-C4'-P energy: -102.177 tors. eta vs tors. theta energy: -186.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2065.595425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.595425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.595425 (E_RNA) where: Base-Base interactions energy: -1369.308 where: short stacking energy: -617.041 Base-Backbone interact. energy: -0.532 local terms energy: -695.755575 where: bonds (distance) C4'-P energy: -143.595 bonds (distance) P-C4' energy: -139.629 flat angles C4'-P-C4' energy: -159.728 flat angles P-C4'-P energy: -91.563 tors. eta vs tors. theta energy: -161.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1831.173007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.173007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.173007 (E_RNA) where: Base-Base interactions energy: -1211.508 where: short stacking energy: -569.462 Base-Backbone interact. energy: 2.315 local terms energy: -621.979656 where: bonds (distance) C4'-P energy: -130.555 bonds (distance) P-C4' energy: -127.269 flat angles C4'-P-C4' energy: -132.074 flat angles P-C4'-P energy: -91.952 tors. eta vs tors. theta energy: -140.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1756.599206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.599206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.599206 (E_RNA) where: Base-Base interactions energy: -1131.918 where: short stacking energy: -542.490 Base-Backbone interact. energy: -2.871 local terms energy: -621.810624 where: bonds (distance) C4'-P energy: -106.500 bonds (distance) P-C4' energy: -123.176 flat angles C4'-P-C4' energy: -139.839 flat angles P-C4'-P energy: -100.925 tors. eta vs tors. theta energy: -151.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1557.009590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.009590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.009590 (E_RNA) where: Base-Base interactions energy: -994.193 where: short stacking energy: -432.428 Base-Backbone interact. energy: -0.286 local terms energy: -562.530484 where: bonds (distance) C4'-P energy: -135.235 bonds (distance) P-C4' energy: -134.513 flat angles C4'-P-C4' energy: -129.115 flat angles P-C4'-P energy: -80.867 tors. eta vs tors. theta energy: -82.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1255.132468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.132468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.132468 (E_RNA) where: Base-Base interactions energy: -749.966 where: short stacking energy: -355.901 Base-Backbone interact. energy: -1.435 local terms energy: -503.731542 where: bonds (distance) C4'-P energy: -123.915 bonds (distance) P-C4' energy: -120.839 flat angles C4'-P-C4' energy: -113.175 flat angles P-C4'-P energy: -83.398 tors. eta vs tors. theta energy: -62.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1202.555540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.555540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.555540 (E_RNA) where: Base-Base interactions energy: -719.779 where: short stacking energy: -335.264 Base-Backbone interact. energy: -1.184 local terms energy: -481.593111 where: bonds (distance) C4'-P energy: -112.703 bonds (distance) P-C4' energy: -111.034 flat angles C4'-P-C4' energy: -143.311 flat angles P-C4'-P energy: -63.676 tors. eta vs tors. theta energy: -50.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -752.061939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.061939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.061939 (E_RNA) where: Base-Base interactions energy: -358.215 where: short stacking energy: -214.521 Base-Backbone interact. energy: 5.057 local terms energy: -398.903890 where: bonds (distance) C4'-P energy: -113.704 bonds (distance) P-C4' energy: -116.653 flat angles C4'-P-C4' energy: -95.780 flat angles P-C4'-P energy: -67.860 tors. eta vs tors. theta energy: -4.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2554.458939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.458939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.458939 (E_RNA) where: Base-Base interactions energy: -1773.827 where: short stacking energy: -780.094 Base-Backbone interact. energy: -1.279 local terms energy: -779.353152 where: bonds (distance) C4'-P energy: -132.937 bonds (distance) P-C4' energy: -148.940 flat angles C4'-P-C4' energy: -170.254 flat angles P-C4'-P energy: -108.285 tors. eta vs tors. theta energy: -218.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2310.281674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.281674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.281674 (E_RNA) where: Base-Base interactions energy: -1555.937 where: short stacking energy: -712.550 Base-Backbone interact. energy: -5.841 local terms energy: -748.503383 where: bonds (distance) C4'-P energy: -146.977 bonds (distance) P-C4' energy: -138.277 flat angles C4'-P-C4' energy: -157.932 flat angles P-C4'-P energy: -110.261 tors. eta vs tors. theta energy: -195.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2217.116926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.116926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.116926 (E_RNA) where: Base-Base interactions energy: -1491.456 where: short stacking energy: -659.672 Base-Backbone interact. energy: -1.675 local terms energy: -723.986065 where: bonds (distance) C4'-P energy: -131.930 bonds (distance) P-C4' energy: -132.077 flat angles C4'-P-C4' energy: -171.814 flat angles P-C4'-P energy: -112.590 tors. eta vs tors. theta energy: -175.575 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: 10 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2072.926773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.926773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.926773 (E_RNA) where: Base-Base interactions energy: -1367.313 where: short stacking energy: -583.562 Base-Backbone interact. energy: 5.318 local terms energy: -710.931381 where: bonds (distance) C4'-P energy: -130.597 bonds (distance) P-C4' energy: -161.508 flat angles C4'-P-C4' energy: -167.095 flat angles P-C4'-P energy: -90.369 tors. eta vs tors. theta energy: -161.362 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: 5, replica: 6 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1823.787411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.787411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.787411 (E_RNA) where: Base-Base interactions energy: -1194.145 where: short stacking energy: -532.645 Base-Backbone interact. energy: 0.550 local terms energy: -630.192232 where: bonds (distance) C4'-P energy: -142.619 bonds (distance) P-C4' energy: -127.291 flat angles C4'-P-C4' energy: -148.831 flat angles P-C4'-P energy: -89.074 tors. eta vs tors. theta energy: -122.377 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: 84 Temperature: 1.150000 Total energy: -1706.089099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.089099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.089099 (E_RNA) where: Base-Base interactions energy: -1078.631 where: short stacking energy: -500.561 Base-Backbone interact. energy: -2.114 local terms energy: -625.344037 where: bonds (distance) C4'-P energy: -152.122 bonds (distance) P-C4' energy: -132.236 flat angles C4'-P-C4' energy: -136.071 flat angles P-C4'-P energy: -92.195 tors. eta vs tors. theta energy: -112.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1535.171608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.171608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.171608 (E_RNA) where: Base-Base interactions energy: -974.626 where: short stacking energy: -463.964 Base-Backbone interact. energy: -2.765 local terms energy: -557.780714 where: bonds (distance) C4'-P energy: -114.363 bonds (distance) P-C4' energy: -139.270 flat angles C4'-P-C4' energy: -155.813 flat angles P-C4'-P energy: -54.592 tors. eta vs tors. theta energy: -93.743 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: 4 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1280.610324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.610324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.610324 (E_RNA) where: Base-Base interactions energy: -781.316 where: short stacking energy: -356.577 Base-Backbone interact. energy: 2.810 local terms energy: -502.104407 where: bonds (distance) C4'-P energy: -114.586 bonds (distance) P-C4' energy: -137.500 flat angles C4'-P-C4' energy: -125.100 flat angles P-C4'-P energy: -72.299 tors. eta vs tors. theta energy: -52.619 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: 2 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1162.257735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.257735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.257735 (E_RNA) where: Base-Base interactions energy: -730.007 where: short stacking energy: -336.398 Base-Backbone interact. energy: 1.528 local terms energy: -433.778833 where: bonds (distance) C4'-P energy: -104.530 bonds (distance) P-C4' energy: -113.012 flat angles C4'-P-C4' energy: -104.905 flat angles P-C4'-P energy: -66.409 tors. eta vs tors. theta energy: -44.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -761.910811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.910811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.910811 (E_RNA) where: Base-Base interactions energy: -365.115 where: short stacking energy: -205.943 Base-Backbone interact. energy: 5.716 local terms energy: -402.512513 where: bonds (distance) C4'-P energy: -136.457 bonds (distance) P-C4' energy: -126.685 flat angles C4'-P-C4' energy: -95.181 flat angles P-C4'-P energy: -54.839 tors. eta vs tors. theta energy: 10.650 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: 1, replica: 8 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2519.669609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.669609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.669609 (E_RNA) where: Base-Base interactions energy: -1740.013 where: short stacking energy: -770.189 Base-Backbone interact. energy: 1.048 local terms energy: -780.704189 where: bonds (distance) C4'-P energy: -134.314 bonds (distance) P-C4' energy: -147.481 flat angles C4'-P-C4' energy: -172.613 flat angles P-C4'-P energy: -99.177 tors. eta vs tors. theta energy: -227.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2332.170220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.170220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.170220 (E_RNA) where: Base-Base interactions energy: -1574.077 where: short stacking energy: -706.053 Base-Backbone interact. energy: -2.015 local terms energy: -756.078857 where: bonds (distance) C4'-P energy: -145.047 bonds (distance) P-C4' energy: -152.305 flat angles C4'-P-C4' energy: -159.075 flat angles P-C4'-P energy: -102.524 tors. eta vs tors. theta energy: -197.128 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: 3 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2197.849009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.849009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.849009 (E_RNA) where: Base-Base interactions energy: -1477.157 where: short stacking energy: -635.216 Base-Backbone interact. energy: -0.038 local terms energy: -720.654332 where: bonds (distance) C4'-P energy: -132.372 bonds (distance) P-C4' energy: -142.004 flat angles C4'-P-C4' energy: -156.962 flat angles P-C4'-P energy: -107.045 tors. eta vs tors. theta energy: -182.271 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: 10 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2067.197921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.197921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.197921 (E_RNA) where: Base-Base interactions energy: -1393.008 where: short stacking energy: -598.495 Base-Backbone interact. energy: -2.620 local terms energy: -671.570692 where: bonds (distance) C4'-P energy: -140.169 bonds (distance) P-C4' energy: -140.803 flat angles C4'-P-C4' energy: -152.842 flat angles P-C4'-P energy: -92.881 tors. eta vs tors. theta energy: -144.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1789.870680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.870680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.870680 (E_RNA) where: Base-Base interactions energy: -1173.013 where: short stacking energy: -536.532 Base-Backbone interact. energy: 4.933 local terms energy: -621.790051 where: bonds (distance) C4'-P energy: -133.909 bonds (distance) P-C4' energy: -131.636 flat angles C4'-P-C4' energy: -142.370 flat angles P-C4'-P energy: -90.017 tors. eta vs tors. theta energy: -123.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1681.605702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.605702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.605702 (E_RNA) where: Base-Base interactions energy: -1061.390 where: short stacking energy: -503.405 Base-Backbone interact. energy: -0.323 local terms energy: -619.892630 where: bonds (distance) C4'-P energy: -142.621 bonds (distance) P-C4' energy: -122.707 flat angles C4'-P-C4' energy: -145.179 flat angles P-C4'-P energy: -86.775 tors. eta vs tors. theta energy: -122.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1598.239118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.239118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.239118 (E_RNA) where: Base-Base interactions energy: -1000.874 where: short stacking energy: -485.376 Base-Backbone interact. energy: -1.005 local terms energy: -596.360832 where: bonds (distance) C4'-P energy: -123.877 bonds (distance) P-C4' energy: -129.493 flat angles C4'-P-C4' energy: -141.279 flat angles P-C4'-P energy: -84.495 tors. eta vs tors. theta energy: -117.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1202.996501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.996501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.996501 (E_RNA) where: Base-Base interactions energy: -702.306 where: short stacking energy: -335.963 Base-Backbone interact. energy: 1.936 local terms energy: -502.626582 where: bonds (distance) C4'-P energy: -115.565 bonds (distance) P-C4' energy: -132.705 flat angles C4'-P-C4' energy: -124.098 flat angles P-C4'-P energy: -78.127 tors. eta vs tors. theta energy: -52.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1228.187150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.187150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.187150 (E_RNA) where: Base-Base interactions energy: -703.728 where: short stacking energy: -334.144 Base-Backbone interact. energy: -2.662 local terms energy: -521.797137 where: bonds (distance) C4'-P energy: -132.475 bonds (distance) P-C4' energy: -131.382 flat angles C4'-P-C4' energy: -133.634 flat angles P-C4'-P energy: -68.100 tors. eta vs tors. theta energy: -56.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -735.635540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.635540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.635540 (E_RNA) where: Base-Base interactions energy: -353.815 where: short stacking energy: -209.177 Base-Backbone interact. energy: -0.885 local terms energy: -380.934957 where: bonds (distance) C4'-P energy: -115.531 bonds (distance) P-C4' energy: -112.732 flat angles C4'-P-C4' energy: -96.398 flat angles P-C4'-P energy: -68.412 tors. eta vs tors. theta energy: 12.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2519.587242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.587242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.587242 (E_RNA) where: Base-Base interactions energy: -1705.251 where: short stacking energy: -765.635 Base-Backbone interact. energy: -3.947 local terms energy: -810.389088 where: bonds (distance) C4'-P energy: -147.996 bonds (distance) P-C4' energy: -154.201 flat angles C4'-P-C4' energy: -165.515 flat angles P-C4'-P energy: -111.807 tors. eta vs tors. theta energy: -230.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2361.831793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.831793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.831793 (E_RNA) where: Base-Base interactions energy: -1593.225 where: short stacking energy: -707.321 Base-Backbone interact. energy: -3.430 local terms energy: -765.176237 where: bonds (distance) C4'-P energy: -134.592 bonds (distance) P-C4' energy: -155.779 flat angles C4'-P-C4' energy: -165.421 flat angles P-C4'-P energy: -122.134 tors. eta vs tors. theta energy: -187.251 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: 3, replica: 3 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2165.210553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.210553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.210553 (E_RNA) where: Base-Base interactions energy: -1445.843 where: short stacking energy: -651.176 Base-Backbone interact. energy: -4.066 local terms energy: -715.302115 where: bonds (distance) C4'-P energy: -133.437 bonds (distance) P-C4' energy: -141.285 flat angles C4'-P-C4' energy: -151.405 flat angles P-C4'-P energy: -111.047 tors. eta vs tors. theta energy: -178.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2066.864827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.864827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.864827 (E_RNA) where: Base-Base interactions energy: -1385.883 where: short stacking energy: -603.171 Base-Backbone interact. energy: -0.931 local terms energy: -680.050744 where: bonds (distance) C4'-P energy: -130.679 bonds (distance) P-C4' energy: -127.394 flat angles C4'-P-C4' energy: -159.731 flat angles P-C4'-P energy: -106.123 tors. eta vs tors. theta energy: -156.123 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: 5, replica: 6 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1784.226928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.226928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.226928 (E_RNA) where: Base-Base interactions energy: -1150.431 where: short stacking energy: -531.604 Base-Backbone interact. energy: -0.805 local terms energy: -632.990625 where: bonds (distance) C4'-P energy: -146.374 bonds (distance) P-C4' energy: -128.559 flat angles C4'-P-C4' energy: -139.805 flat angles P-C4'-P energy: -90.157 tors. eta vs tors. theta energy: -128.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1710.234933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.234933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.234933 (E_RNA) where: Base-Base interactions energy: -1091.158 where: short stacking energy: -516.728 Base-Backbone interact. energy: -0.769 local terms energy: -618.307699 where: bonds (distance) C4'-P energy: -131.436 bonds (distance) P-C4' energy: -123.722 flat angles C4'-P-C4' energy: -134.821 flat angles P-C4'-P energy: -94.064 tors. eta vs tors. theta energy: -134.265 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: 7, replica: 7 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1604.062096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.062096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.062096 (E_RNA) where: Base-Base interactions energy: -1072.730 where: short stacking energy: -496.237 Base-Backbone interact. energy: 6.208 local terms energy: -537.539916 where: bonds (distance) C4'-P energy: -115.836 bonds (distance) P-C4' energy: -105.502 flat angles C4'-P-C4' energy: -133.190 flat angles P-C4'-P energy: -65.983 tors. eta vs tors. theta energy: -117.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1248.358555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.358555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.358555 (E_RNA) where: Base-Base interactions energy: -762.457 where: short stacking energy: -352.174 Base-Backbone interact. energy: 2.664 local terms energy: -488.565286 where: bonds (distance) C4'-P energy: -112.276 bonds (distance) P-C4' energy: -126.261 flat angles C4'-P-C4' energy: -113.538 flat angles P-C4'-P energy: -78.362 tors. eta vs tors. theta energy: -58.129 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: 4 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1261.987073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.987073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.987073 (E_RNA) where: Base-Base interactions energy: -764.668 where: short stacking energy: -385.169 Base-Backbone interact. energy: 2.681 local terms energy: -500.000595 where: bonds (distance) C4'-P energy: -118.320 bonds (distance) P-C4' energy: -134.693 flat angles C4'-P-C4' energy: -99.799 flat angles P-C4'-P energy: -73.777 tors. eta vs tors. theta energy: -73.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -731.180064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.180064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.180064 (E_RNA) where: Base-Base interactions energy: -353.099 where: short stacking energy: -213.438 Base-Backbone interact. energy: 0.231 local terms energy: -378.312005 where: bonds (distance) C4'-P energy: -110.712 bonds (distance) P-C4' energy: -126.921 flat angles C4'-P-C4' energy: -106.189 flat angles P-C4'-P energy: -34.415 tors. eta vs tors. theta energy: -0.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2557.282866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.282866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.282866 (E_RNA) where: Base-Base interactions energy: -1754.401 where: short stacking energy: -759.893 Base-Backbone interact. energy: -1.156 local terms energy: -801.725243 where: bonds (distance) C4'-P energy: -134.713 bonds (distance) P-C4' energy: -154.861 flat angles C4'-P-C4' energy: -173.810 flat angles P-C4'-P energy: -112.583 tors. eta vs tors. theta energy: -225.759 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: 2, replica: 1 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2307.246948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.246948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.246948 (E_RNA) where: Base-Base interactions energy: -1551.848 where: short stacking energy: -707.590 Base-Backbone interact. energy: -4.165 local terms energy: -751.234324 where: bonds (distance) C4'-P energy: -156.123 bonds (distance) P-C4' energy: -146.912 flat angles C4'-P-C4' energy: -153.466 flat angles P-C4'-P energy: -95.969 tors. eta vs tors. theta energy: -198.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2187.006104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.006104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.006104 (E_RNA) where: Base-Base interactions energy: -1468.578 where: short stacking energy: -625.437 Base-Backbone interact. energy: 1.638 local terms energy: -720.066757 where: bonds (distance) C4'-P energy: -144.656 bonds (distance) P-C4' energy: -149.800 flat angles C4'-P-C4' energy: -153.679 flat angles P-C4'-P energy: -106.193 tors. eta vs tors. theta energy: -165.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2126.277843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.277843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.277843 (E_RNA) where: Base-Base interactions energy: -1414.770 where: short stacking energy: -607.970 Base-Backbone interact. energy: 1.867 local terms energy: -713.375006 where: bonds (distance) C4'-P energy: -137.458 bonds (distance) P-C4' energy: -148.424 flat angles C4'-P-C4' energy: -157.786 flat angles P-C4'-P energy: -102.128 tors. eta vs tors. theta energy: -167.580 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: 6 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1795.322717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.322717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.322717 (E_RNA) where: Base-Base interactions energy: -1160.550 where: short stacking energy: -511.329 Base-Backbone interact. energy: -2.412 local terms energy: -632.360156 where: bonds (distance) C4'-P energy: -124.456 bonds (distance) P-C4' energy: -151.762 flat angles C4'-P-C4' energy: -153.376 flat angles P-C4'-P energy: -84.688 tors. eta vs tors. theta energy: -118.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1753.861185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.861185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.861185 (E_RNA) where: Base-Base interactions energy: -1143.772 where: short stacking energy: -545.927 Base-Backbone interact. energy: -0.487 local terms energy: -609.602568 where: bonds (distance) C4'-P energy: -133.797 bonds (distance) P-C4' energy: -136.822 flat angles C4'-P-C4' energy: -135.400 flat angles P-C4'-P energy: -77.471 tors. eta vs tors. theta energy: -126.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1617.257309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.257309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.257309 (E_RNA) where: Base-Base interactions energy: -1037.702 where: short stacking energy: -458.075 Base-Backbone interact. energy: -4.463 local terms energy: -575.092648 where: bonds (distance) C4'-P energy: -119.771 bonds (distance) P-C4' energy: -127.834 flat angles C4'-P-C4' energy: -123.770 flat angles P-C4'-P energy: -94.168 tors. eta vs tors. theta energy: -109.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1303.813098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.813098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.813098 (E_RNA) where: Base-Base interactions energy: -799.435 where: short stacking energy: -378.824 Base-Backbone interact. energy: -0.519 local terms energy: -503.858600 where: bonds (distance) C4'-P energy: -136.553 bonds (distance) P-C4' energy: -136.102 flat angles C4'-P-C4' energy: -125.491 flat angles P-C4'-P energy: -47.215 tors. eta vs tors. theta energy: -58.498 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: 2 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1147.722453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.722453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.722453 (E_RNA) where: Base-Base interactions energy: -676.634 where: short stacking energy: -328.543 Base-Backbone interact. energy: 0.147 local terms energy: -471.235978 where: bonds (distance) C4'-P energy: -120.941 bonds (distance) P-C4' energy: -121.664 flat angles C4'-P-C4' energy: -104.855 flat angles P-C4'-P energy: -77.444 tors. eta vs tors. theta energy: -46.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -824.349642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.349642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.349642 (E_RNA) where: Base-Base interactions energy: -396.819 where: short stacking energy: -233.563 Base-Backbone interact. energy: 1.890 local terms energy: -429.420730 where: bonds (distance) C4'-P energy: -117.880 bonds (distance) P-C4' energy: -135.982 flat angles C4'-P-C4' energy: -135.944 flat angles P-C4'-P energy: -41.669 tors. eta vs tors. theta energy: 2.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2538.091429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.091429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.091429 (E_RNA) where: Base-Base interactions energy: -1749.086 where: short stacking energy: -769.183 Base-Backbone interact. energy: -1.397 local terms energy: -787.608675 where: bonds (distance) C4'-P energy: -141.723 bonds (distance) P-C4' energy: -135.037 flat angles C4'-P-C4' energy: -173.487 flat angles P-C4'-P energy: -106.787 tors. eta vs tors. theta energy: -230.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2347.147016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.147016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.147016 (E_RNA) where: Base-Base interactions energy: -1583.342 where: short stacking energy: -734.525 Base-Backbone interact. energy: -1.290 local terms energy: -762.514553 where: bonds (distance) C4'-P energy: -150.571 bonds (distance) P-C4' energy: -138.629 flat angles C4'-P-C4' energy: -162.764 flat angles P-C4'-P energy: -92.820 tors. eta vs tors. theta energy: -217.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2209.153176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.153176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.153176 (E_RNA) where: Base-Base interactions energy: -1477.135 where: short stacking energy: -651.051 Base-Backbone interact. energy: -0.672 local terms energy: -731.346748 where: bonds (distance) C4'-P energy: -128.751 bonds (distance) P-C4' energy: -145.113 flat angles C4'-P-C4' energy: -168.770 flat angles P-C4'-P energy: -109.988 tors. eta vs tors. theta energy: -178.724 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: 10 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2039.029230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.029230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.029230 (E_RNA) where: Base-Base interactions energy: -1360.317 where: short stacking energy: -617.967 Base-Backbone interact. energy: -1.929 local terms energy: -676.783033 where: bonds (distance) C4'-P energy: -128.511 bonds (distance) P-C4' energy: -122.011 flat angles C4'-P-C4' energy: -153.867 flat angles P-C4'-P energy: -94.270 tors. eta vs tors. theta energy: -178.125 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: 6 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1790.624062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.624062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.624062 (E_RNA) where: Base-Base interactions energy: -1149.571 where: short stacking energy: -523.829 Base-Backbone interact. energy: -1.289 local terms energy: -639.763924 where: bonds (distance) C4'-P energy: -148.395 bonds (distance) P-C4' energy: -142.808 flat angles C4'-P-C4' energy: -138.910 flat angles P-C4'-P energy: -90.632 tors. eta vs tors. theta energy: -119.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1748.379917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.379917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.379917 (E_RNA) where: Base-Base interactions energy: -1134.727 where: short stacking energy: -532.289 Base-Backbone interact. energy: -2.510 local terms energy: -611.143377 where: bonds (distance) C4'-P energy: -120.375 bonds (distance) P-C4' energy: -140.432 flat angles C4'-P-C4' energy: -138.976 flat angles P-C4'-P energy: -85.710 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: 7, replica: 7 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1675.231031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.231031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.231031 (E_RNA) where: Base-Base interactions energy: -1114.556 where: short stacking energy: -518.093 Base-Backbone interact. energy: 0.401 local terms energy: -561.075774 where: bonds (distance) C4'-P energy: -109.143 bonds (distance) P-C4' energy: -126.234 flat angles C4'-P-C4' energy: -131.944 flat angles P-C4'-P energy: -88.664 tors. eta vs tors. theta energy: -105.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1378.868517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.868517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.868517 (E_RNA) where: Base-Base interactions energy: -853.001 where: short stacking energy: -373.482 Base-Backbone interact. energy: 2.697 local terms energy: -528.564541 where: bonds (distance) C4'-P energy: -124.478 bonds (distance) P-C4' energy: -144.997 flat angles C4'-P-C4' energy: -129.086 flat angles P-C4'-P energy: -57.903 tors. eta vs tors. theta energy: -72.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -1140.649727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.649727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.649727 (E_RNA) where: Base-Base interactions energy: -712.185 where: short stacking energy: -319.842 Base-Backbone interact. energy: -4.164 local terms energy: -424.300493 where: bonds (distance) C4'-P energy: -93.480 bonds (distance) P-C4' energy: -105.035 flat angles C4'-P-C4' energy: -114.756 flat angles P-C4'-P energy: -72.903 tors. eta vs tors. theta energy: -38.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -862.023354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.023354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.023354 (E_RNA) where: Base-Base interactions energy: -439.457 where: short stacking energy: -257.667 Base-Backbone interact. energy: 4.028 local terms energy: -426.594810 where: bonds (distance) C4'-P energy: -99.999 bonds (distance) P-C4' energy: -138.179 flat angles C4'-P-C4' energy: -103.690 flat angles P-C4'-P energy: -69.587 tors. eta vs tors. theta energy: -15.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2578.327112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.327112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.327112 (E_RNA) where: Base-Base interactions energy: -1755.807 where: short stacking energy: -774.087 Base-Backbone interact. energy: -2.945 local terms energy: -819.574812 where: bonds (distance) C4'-P energy: -137.799 bonds (distance) P-C4' energy: -152.589 flat angles C4'-P-C4' energy: -174.923 flat angles P-C4'-P energy: -121.807 tors. eta vs tors. theta energy: -232.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2362.624808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.624808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.624808 (E_RNA) where: Base-Base interactions energy: -1610.312 where: short stacking energy: -705.932 Base-Backbone interact. energy: -1.172 local terms energy: -751.141070 where: bonds (distance) C4'-P energy: -136.626 bonds (distance) P-C4' energy: -138.407 flat angles C4'-P-C4' energy: -157.113 flat angles P-C4'-P energy: -121.663 tors. eta vs tors. theta energy: -197.332 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: 3, replica: 3 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2204.107978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.107978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.107978 (E_RNA) where: Base-Base interactions energy: -1465.324 where: short stacking energy: -637.823 Base-Backbone interact. energy: -1.509 local terms energy: -737.274637 where: bonds (distance) C4'-P energy: -147.862 bonds (distance) P-C4' energy: -149.582 flat angles C4'-P-C4' energy: -149.525 flat angles P-C4'-P energy: -106.049 tors. eta vs tors. theta energy: -184.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2007.810163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.810163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.810163 (E_RNA) where: Base-Base interactions energy: -1315.114 where: short stacking energy: -577.745 Base-Backbone interact. energy: -2.427 local terms energy: -690.269580 where: bonds (distance) C4'-P energy: -138.556 bonds (distance) P-C4' energy: -138.649 flat angles C4'-P-C4' energy: -149.481 flat angles P-C4'-P energy: -113.262 tors. eta vs tors. theta energy: -150.322 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: 5, replica: 6 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1833.599918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.599918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.599918 (E_RNA) where: Base-Base interactions energy: -1192.950 where: short stacking energy: -542.484 Base-Backbone interact. energy: -5.381 local terms energy: -635.268140 where: bonds (distance) C4'-P energy: -132.399 bonds (distance) P-C4' energy: -144.082 flat angles C4'-P-C4' energy: -141.596 flat angles P-C4'-P energy: -86.167 tors. eta vs tors. theta energy: -131.024 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: 7 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1756.540022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.540022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.540022 (E_RNA) where: Base-Base interactions energy: -1169.417 where: short stacking energy: -493.250 Base-Backbone interact. energy: -3.564 local terms energy: -583.559086 where: bonds (distance) C4'-P energy: -129.183 bonds (distance) P-C4' energy: -129.080 flat angles C4'-P-C4' energy: -126.048 flat angles P-C4'-P energy: -82.373 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: 9 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1651.261949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.261949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.261949 (E_RNA) where: Base-Base interactions energy: -1104.885 where: short stacking energy: -491.132 Base-Backbone interact. energy: -2.397 local terms energy: -543.980057 where: bonds (distance) C4'-P energy: -101.811 bonds (distance) P-C4' energy: -132.314 flat angles C4'-P-C4' energy: -104.975 flat angles P-C4'-P energy: -87.488 tors. eta vs tors. theta energy: -117.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1387.041185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.041185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.041185 (E_RNA) where: Base-Base interactions energy: -893.328 where: short stacking energy: -434.902 Base-Backbone interact. energy: -2.150 local terms energy: -491.563159 where: bonds (distance) C4'-P energy: -109.816 bonds (distance) P-C4' energy: -119.201 flat angles C4'-P-C4' energy: -113.804 flat angles P-C4'-P energy: -70.480 tors. eta vs tors. theta energy: -78.262 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: 2 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1180.403988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.403988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.403988 (E_RNA) where: Base-Base interactions energy: -706.316 where: short stacking energy: -316.641 Base-Backbone interact. energy: 10.422 local terms energy: -484.510775 where: bonds (distance) C4'-P energy: -122.385 bonds (distance) P-C4' energy: -127.769 flat angles C4'-P-C4' energy: -123.783 flat angles P-C4'-P energy: -84.576 tors. eta vs tors. theta energy: -25.998 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: 5 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -760.897515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.897515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.897515 (E_RNA) where: Base-Base interactions energy: -365.189 where: short stacking energy: -199.781 Base-Backbone interact. energy: 5.206 local terms energy: -400.915033 where: bonds (distance) C4'-P energy: -119.554 bonds (distance) P-C4' energy: -145.851 flat angles C4'-P-C4' energy: -95.338 flat angles P-C4'-P energy: -79.106 tors. eta vs tors. theta energy: 38.934 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: 1, replica: 8 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2546.805123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.805123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.805123 (E_RNA) where: Base-Base interactions energy: -1708.679 where: short stacking energy: -750.534 Base-Backbone interact. energy: -6.064 local terms energy: -832.062756 where: bonds (distance) C4'-P energy: -152.162 bonds (distance) P-C4' energy: -163.195 flat angles C4'-P-C4' energy: -179.721 flat angles P-C4'-P energy: -117.094 tors. eta vs tors. theta energy: -219.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2333.221794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.221794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.221794 (E_RNA) where: Base-Base interactions energy: -1596.704 where: short stacking energy: -717.919 Base-Backbone interact. energy: -3.609 local terms energy: -732.909137 where: bonds (distance) C4'-P energy: -141.416 bonds (distance) P-C4' energy: -139.088 flat angles C4'-P-C4' energy: -155.721 flat angles P-C4'-P energy: -104.757 tors. eta vs tors. theta energy: -191.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2217.330158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.330158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.330158 (E_RNA) where: Base-Base interactions energy: -1473.895 where: short stacking energy: -668.009 Base-Backbone interact. energy: 0.533 local terms energy: -743.968903 where: bonds (distance) C4'-P energy: -141.021 bonds (distance) P-C4' energy: -137.831 flat angles C4'-P-C4' energy: -171.144 flat angles P-C4'-P energy: -113.275 tors. eta vs tors. theta energy: -180.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2054.987179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.987179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.987179 (E_RNA) where: Base-Base interactions energy: -1373.900 where: short stacking energy: -625.296 Base-Backbone interact. energy: 0.180 local terms energy: -681.266423 where: bonds (distance) C4'-P energy: -117.882 bonds (distance) P-C4' energy: -134.458 flat angles C4'-P-C4' energy: -155.339 flat angles P-C4'-P energy: -101.549 tors. eta vs tors. theta energy: -172.039 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: 6 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1812.421972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.421972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.421972 (E_RNA) where: Base-Base interactions energy: -1165.364 where: short stacking energy: -516.706 Base-Backbone interact. energy: 4.403 local terms energy: -651.461451 where: bonds (distance) C4'-P energy: -136.295 bonds (distance) P-C4' energy: -156.877 flat angles C4'-P-C4' energy: -150.648 flat angles P-C4'-P energy: -96.214 tors. eta vs tors. theta energy: -111.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1829.828578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.828578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.828578 (E_RNA) where: Base-Base interactions energy: -1207.417 where: short stacking energy: -523.895 Base-Backbone interact. energy: 5.051 local terms energy: -627.462867 where: bonds (distance) C4'-P energy: -137.168 bonds (distance) P-C4' energy: -125.496 flat angles C4'-P-C4' energy: -136.672 flat angles P-C4'-P energy: -97.763 tors. eta vs tors. theta energy: -130.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1649.392959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.392959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.392959 (E_RNA) where: Base-Base interactions energy: -1072.609 where: short stacking energy: -494.440 Base-Backbone interact. energy: -1.394 local terms energy: -575.389668 where: bonds (distance) C4'-P energy: -111.968 bonds (distance) P-C4' energy: -128.092 flat angles C4'-P-C4' energy: -144.698 flat angles P-C4'-P energy: -74.001 tors. eta vs tors. theta energy: -116.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1377.959336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.959336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.959336 (E_RNA) where: Base-Base interactions energy: -864.530 where: short stacking energy: -409.051 Base-Backbone interact. energy: 5.614 local terms energy: -519.042821 where: bonds (distance) C4'-P energy: -119.418 bonds (distance) P-C4' energy: -129.722 flat angles C4'-P-C4' energy: -112.177 flat angles P-C4'-P energy: -91.772 tors. eta vs tors. theta energy: -65.953 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: 2 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1239.136161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.136161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.136161 (E_RNA) where: Base-Base interactions energy: -740.282 where: short stacking energy: -320.934 Base-Backbone interact. energy: -0.537 local terms energy: -498.316368 where: bonds (distance) C4'-P energy: -126.310 bonds (distance) P-C4' energy: -131.458 flat angles C4'-P-C4' energy: -125.815 flat angles P-C4'-P energy: -78.672 tors. eta vs tors. theta energy: -36.061 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: 5 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -786.367854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.367854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.367854 (E_RNA) where: Base-Base interactions energy: -361.702 where: short stacking energy: -220.359 Base-Backbone interact. energy: -2.587 local terms energy: -422.079412 where: bonds (distance) C4'-P energy: -124.050 bonds (distance) P-C4' energy: -147.253 flat angles C4'-P-C4' energy: -101.424 flat angles P-C4'-P energy: -53.603 tors. eta vs tors. theta energy: 4.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2547.047213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.047213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.047213 (E_RNA) where: Base-Base interactions energy: -1728.837 where: short stacking energy: -745.441 Base-Backbone interact. energy: -4.444 local terms energy: -813.766494 where: bonds (distance) C4'-P energy: -140.319 bonds (distance) P-C4' energy: -146.136 flat angles C4'-P-C4' energy: -171.575 flat angles P-C4'-P energy: -130.680 tors. eta vs tors. theta energy: -225.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2339.179605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.179605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.179605 (E_RNA) where: Base-Base interactions energy: -1589.953 where: short stacking energy: -715.985 Base-Backbone interact. energy: -2.816 local terms energy: -746.410777 where: bonds (distance) C4'-P energy: -133.357 bonds (distance) P-C4' energy: -141.888 flat angles C4'-P-C4' energy: -167.558 flat angles P-C4'-P energy: -106.170 tors. eta vs tors. theta energy: -197.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2180.637226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.637226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.637226 (E_RNA) where: Base-Base interactions energy: -1459.812 where: short stacking energy: -625.988 Base-Backbone interact. energy: -2.983 local terms energy: -717.842510 where: bonds (distance) C4'-P energy: -143.138 bonds (distance) P-C4' energy: -139.117 flat angles C4'-P-C4' energy: -154.718 flat angles P-C4'-P energy: -103.866 tors. eta vs tors. theta energy: -177.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2051.525885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.525885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.525885 (E_RNA) where: Base-Base interactions energy: -1361.925 where: short stacking energy: -602.739 Base-Backbone interact. energy: -3.142 local terms energy: -686.458904 where: bonds (distance) C4'-P energy: -134.868 bonds (distance) P-C4' energy: -149.125 flat angles C4'-P-C4' energy: -146.524 flat angles P-C4'-P energy: -97.723 tors. eta vs tors. theta energy: -158.219 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: 6 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1797.293466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.293466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.293466 (E_RNA) where: Base-Base interactions energy: -1181.937 where: short stacking energy: -529.416 Base-Backbone interact. energy: -3.095 local terms energy: -612.261637 where: bonds (distance) C4'-P energy: -130.925 bonds (distance) P-C4' energy: -139.677 flat angles C4'-P-C4' energy: -136.335 flat angles P-C4'-P energy: -80.901 tors. eta vs tors. theta energy: -124.424 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: 9 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1700.975368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.975368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.975368 (E_RNA) where: Base-Base interactions energy: -1093.499 where: short stacking energy: -502.515 Base-Backbone interact. energy: 2.769 local terms energy: -610.245283 where: bonds (distance) C4'-P energy: -136.501 bonds (distance) P-C4' energy: -136.270 flat angles C4'-P-C4' energy: -132.423 flat angles P-C4'-P energy: -93.027 tors. eta vs tors. theta energy: -112.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1742.531524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.531524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.531524 (E_RNA) where: Base-Base interactions energy: -1160.336 where: short stacking energy: -554.594 Base-Backbone interact. energy: 1.041 local terms energy: -583.235697 where: bonds (distance) C4'-P energy: -96.667 bonds (distance) P-C4' energy: -123.304 flat angles C4'-P-C4' energy: -134.329 flat angles P-C4'-P energy: -85.707 tors. eta vs tors. theta energy: -143.230 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: 4 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1511.668651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.668651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.668651 (E_RNA) where: Base-Base interactions energy: -1011.086 where: short stacking energy: -467.590 Base-Backbone interact. energy: -0.947 local terms energy: -499.636315 where: bonds (distance) C4'-P energy: -93.583 bonds (distance) P-C4' energy: -112.118 flat angles C4'-P-C4' energy: -115.545 flat angles P-C4'-P energy: -80.673 tors. eta vs tors. theta energy: -97.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1195.025990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.025990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.025990 (E_RNA) where: Base-Base interactions energy: -763.528 where: short stacking energy: -310.798 Base-Backbone interact. energy: 0.451 local terms energy: -431.948149 where: bonds (distance) C4'-P energy: -110.475 bonds (distance) P-C4' energy: -108.350 flat angles C4'-P-C4' energy: -103.243 flat angles P-C4'-P energy: -63.480 tors. eta vs tors. theta energy: -46.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -800.628615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.628615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.628615 (E_RNA) where: Base-Base interactions energy: -423.990 where: short stacking energy: -243.444 Base-Backbone interact. energy: 5.324 local terms energy: -381.962855 where: bonds (distance) C4'-P energy: -121.846 bonds (distance) P-C4' energy: -119.497 flat angles C4'-P-C4' energy: -89.785 flat angles P-C4'-P energy: -56.646 tors. eta vs tors. theta energy: 5.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2562.239135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.239135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.239135 (E_RNA) where: Base-Base interactions energy: -1757.119 where: short stacking energy: -757.479 Base-Backbone interact. energy: -2.692 local terms energy: -802.428689 where: bonds (distance) C4'-P energy: -145.954 bonds (distance) P-C4' energy: -159.752 flat angles C4'-P-C4' energy: -167.998 flat angles P-C4'-P energy: -113.731 tors. eta vs tors. theta energy: -214.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2365.345547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.345547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.345547 (E_RNA) where: Base-Base interactions energy: -1596.818 where: short stacking energy: -728.325 Base-Backbone interact. energy: -3.650 local terms energy: -764.877656 where: bonds (distance) C4'-P energy: -142.425 bonds (distance) P-C4' energy: -148.405 flat angles C4'-P-C4' energy: -161.946 flat angles P-C4'-P energy: -116.494 tors. eta vs tors. theta energy: -195.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2215.677070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.677070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.677070 (E_RNA) where: Base-Base interactions energy: -1505.930 where: short stacking energy: -640.655 Base-Backbone interact. energy: -3.878 local terms energy: -705.869491 where: bonds (distance) C4'-P energy: -135.689 bonds (distance) P-C4' energy: -119.027 flat angles C4'-P-C4' energy: -162.523 flat angles P-C4'-P energy: -116.417 tors. eta vs tors. theta energy: -172.213 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: 10 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2039.763102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.763102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.763102 (E_RNA) where: Base-Base interactions energy: -1325.511 where: short stacking energy: -603.157 Base-Backbone interact. energy: -0.045 local terms energy: -714.207336 where: bonds (distance) C4'-P energy: -135.739 bonds (distance) P-C4' energy: -145.896 flat angles C4'-P-C4' energy: -152.329 flat angles P-C4'-P energy: -106.615 tors. eta vs tors. theta energy: -173.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1836.010922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.010922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.010922 (E_RNA) where: Base-Base interactions energy: -1200.992 where: short stacking energy: -546.227 Base-Backbone interact. energy: -5.695 local terms energy: -629.324068 where: bonds (distance) C4'-P energy: -118.114 bonds (distance) P-C4' energy: -136.020 flat angles C4'-P-C4' energy: -149.693 flat angles P-C4'-P energy: -86.524 tors. eta vs tors. theta energy: -138.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1782.922788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.922788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.922788 (E_RNA) where: Base-Base interactions energy: -1139.855 where: short stacking energy: -532.082 Base-Backbone interact. energy: -0.114 local terms energy: -642.954038 where: bonds (distance) C4'-P energy: -127.458 bonds (distance) P-C4' energy: -128.051 flat angles C4'-P-C4' energy: -158.940 flat angles P-C4'-P energy: -87.402 tors. eta vs tors. theta energy: -141.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1792.406646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.406646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.406646 (E_RNA) where: Base-Base interactions energy: -1193.863 where: short stacking energy: -541.647 Base-Backbone interact. energy: 2.119 local terms energy: -600.662745 where: bonds (distance) C4'-P energy: -114.013 bonds (distance) P-C4' energy: -128.178 flat angles C4'-P-C4' energy: -129.338 flat angles P-C4'-P energy: -92.955 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: 8, replica: 4 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1508.816541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.816541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.816541 (E_RNA) where: Base-Base interactions energy: -987.418 where: short stacking energy: -434.397 Base-Backbone interact. energy: -3.765 local terms energy: -517.633531 where: bonds (distance) C4'-P energy: -103.018 bonds (distance) P-C4' energy: -113.069 flat angles C4'-P-C4' energy: -134.454 flat angles P-C4'-P energy: -79.992 tors. eta vs tors. theta energy: -87.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1270.217556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.217556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.217556 (E_RNA) where: Base-Base interactions energy: -805.002 where: short stacking energy: -356.027 Base-Backbone interact. energy: 4.718 local terms energy: -469.933610 where: bonds (distance) C4'-P energy: -124.647 bonds (distance) P-C4' energy: -120.801 flat angles C4'-P-C4' energy: -108.173 flat angles P-C4'-P energy: -78.843 tors. eta vs tors. theta energy: -37.470 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: 10, replica: 5 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -725.128990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.128990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.128990 (E_RNA) where: Base-Base interactions energy: -312.917 where: short stacking energy: -198.262 Base-Backbone interact. energy: -3.305 local terms energy: -408.907674 where: bonds (distance) C4'-P energy: -117.887 bonds (distance) P-C4' energy: -120.655 flat angles C4'-P-C4' energy: -107.727 flat angles P-C4'-P energy: -67.308 tors. eta vs tors. theta energy: 4.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2554.659879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.659879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.659879 (E_RNA) where: Base-Base interactions energy: -1745.631 where: short stacking energy: -757.821 Base-Backbone interact. energy: 0.368 local terms energy: -809.397605 where: bonds (distance) C4'-P energy: -137.667 bonds (distance) P-C4' energy: -159.148 flat angles C4'-P-C4' energy: -180.637 flat angles P-C4'-P energy: -109.866 tors. eta vs tors. theta energy: -222.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2359.930837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.930837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.930837 (E_RNA) where: Base-Base interactions energy: -1587.703 where: short stacking energy: -712.720 Base-Backbone interact. energy: -2.405 local terms energy: -769.822844 where: bonds (distance) C4'-P energy: -148.207 bonds (distance) P-C4' energy: -141.916 flat angles C4'-P-C4' energy: -160.571 flat angles P-C4'-P energy: -110.331 tors. eta vs tors. theta energy: -208.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2194.571300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.571300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.571300 (E_RNA) where: Base-Base interactions energy: -1503.970 where: short stacking energy: -652.623 Base-Backbone interact. energy: 0.589 local terms energy: -691.189530 where: bonds (distance) C4'-P energy: -116.626 bonds (distance) P-C4' energy: -139.244 flat angles C4'-P-C4' energy: -148.525 flat angles P-C4'-P energy: -97.144 tors. eta vs tors. theta energy: -189.651 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: 10 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2062.874669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.874669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.874669 (E_RNA) where: Base-Base interactions energy: -1383.262 where: short stacking energy: -628.546 Base-Backbone interact. energy: -0.146 local terms energy: -679.467062 where: bonds (distance) C4'-P energy: -136.401 bonds (distance) P-C4' energy: -141.521 flat angles C4'-P-C4' energy: -142.382 flat angles P-C4'-P energy: -95.569 tors. eta vs tors. theta energy: -163.595 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: 5, replica: 6 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1829.495770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.495770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.495770 (E_RNA) where: Base-Base interactions energy: -1176.814 where: short stacking energy: -541.496 Base-Backbone interact. energy: -1.963 local terms energy: -650.719358 where: bonds (distance) C4'-P energy: -138.613 bonds (distance) P-C4' energy: -141.858 flat angles C4'-P-C4' energy: -138.203 flat angles P-C4'-P energy: -93.302 tors. eta vs tors. theta energy: -138.743 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: 7 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1874.781634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.781634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.781634 (E_RNA) where: Base-Base interactions energy: -1252.699 where: short stacking energy: -580.717 Base-Backbone interact. energy: -3.743 local terms energy: -618.338942 where: bonds (distance) C4'-P energy: -129.800 bonds (distance) P-C4' energy: -120.696 flat angles C4'-P-C4' energy: -143.332 flat angles P-C4'-P energy: -85.287 tors. eta vs tors. theta energy: -139.224 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: 9 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1717.794506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.794506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.794506 (E_RNA) where: Base-Base interactions energy: -1102.262 where: short stacking energy: -503.782 Base-Backbone interact. energy: -0.732 local terms energy: -614.800677 where: bonds (distance) C4'-P energy: -141.755 bonds (distance) P-C4' energy: -134.086 flat angles C4'-P-C4' energy: -126.673 flat angles P-C4'-P energy: -79.153 tors. eta vs tors. theta energy: -133.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1559.455608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.455608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.455608 (E_RNA) where: Base-Base interactions energy: -983.655 where: short stacking energy: -430.427 Base-Backbone interact. energy: 3.467 local terms energy: -579.267162 where: bonds (distance) C4'-P energy: -131.810 bonds (distance) P-C4' energy: -131.276 flat angles C4'-P-C4' energy: -127.441 flat angles P-C4'-P energy: -86.589 tors. eta vs tors. theta energy: -102.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1286.954109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.954109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.954109 (E_RNA) where: Base-Base interactions energy: -826.347 where: short stacking energy: -362.127 Base-Backbone interact. energy: 0.280 local terms energy: -460.887347 where: bonds (distance) C4'-P energy: -105.347 bonds (distance) P-C4' energy: -112.775 flat angles C4'-P-C4' energy: -119.449 flat angles P-C4'-P energy: -69.104 tors. eta vs tors. theta energy: -54.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -736.015549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.015549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.015549 (E_RNA) where: Base-Base interactions energy: -321.457 where: short stacking energy: -190.602 Base-Backbone interact. energy: 7.878 local terms energy: -422.437015 where: bonds (distance) C4'-P energy: -126.988 bonds (distance) P-C4' energy: -114.524 flat angles C4'-P-C4' energy: -106.273 flat angles P-C4'-P energy: -60.265 tors. eta vs tors. theta energy: -14.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2560.012463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.012463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.012463 (E_RNA) where: Base-Base interactions energy: -1752.713 where: short stacking energy: -752.801 Base-Backbone interact. energy: -1.251 local terms energy: -806.048685 where: bonds (distance) C4'-P energy: -150.532 bonds (distance) P-C4' energy: -144.062 flat angles C4'-P-C4' energy: -170.218 flat angles P-C4'-P energy: -117.362 tors. eta vs tors. theta energy: -223.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2387.449497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.449497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.449497 (E_RNA) where: Base-Base interactions energy: -1603.216 where: short stacking energy: -724.886 Base-Backbone interact. energy: 1.148 local terms energy: -785.381404 where: bonds (distance) C4'-P energy: -132.245 bonds (distance) P-C4' energy: -145.234 flat angles C4'-P-C4' energy: -161.973 flat angles P-C4'-P energy: -118.624 tors. eta vs tors. theta energy: -227.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2243.308046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.308046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.308046 (E_RNA) where: Base-Base interactions energy: -1523.502 where: short stacking energy: -657.429 Base-Backbone interact. energy: -3.006 local terms energy: -716.799707 where: bonds (distance) C4'-P energy: -139.234 bonds (distance) P-C4' energy: -139.647 flat angles C4'-P-C4' energy: -167.744 flat angles P-C4'-P energy: -91.751 tors. eta vs tors. theta energy: -178.423 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: 10 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2041.634071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.634071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.634071 (E_RNA) where: Base-Base interactions energy: -1331.546 where: short stacking energy: -634.217 Base-Backbone interact. energy: -2.440 local terms energy: -707.648219 where: bonds (distance) C4'-P energy: -153.497 bonds (distance) P-C4' energy: -139.432 flat angles C4'-P-C4' energy: -153.325 flat angles P-C4'-P energy: -90.244 tors. eta vs tors. theta energy: -171.151 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: 5, replica: 7 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1981.603468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.603468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.603468 (E_RNA) where: Base-Base interactions energy: -1316.249 where: short stacking energy: -588.910 Base-Backbone interact. energy: -0.613 local terms energy: -664.741047 where: bonds (distance) C4'-P energy: -127.529 bonds (distance) P-C4' energy: -130.828 flat angles C4'-P-C4' energy: -154.328 flat angles P-C4'-P energy: -92.223 tors. eta vs tors. theta energy: -159.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1738.651987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.651987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.651987 (E_RNA) where: Base-Base interactions energy: -1128.058 where: short stacking energy: -483.043 Base-Backbone interact. energy: -3.940 local terms energy: -606.653562 where: bonds (distance) C4'-P energy: -121.766 bonds (distance) P-C4' energy: -136.749 flat angles C4'-P-C4' energy: -144.851 flat angles P-C4'-P energy: -93.418 tors. eta vs tors. theta energy: -109.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1593.138736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.138736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.138736 (E_RNA) where: Base-Base interactions energy: -1004.340 where: short stacking energy: -440.573 Base-Backbone interact. energy: -2.711 local terms energy: -586.087299 where: bonds (distance) C4'-P energy: -122.898 bonds (distance) P-C4' energy: -133.184 flat angles C4'-P-C4' energy: -136.087 flat angles P-C4'-P energy: -91.330 tors. eta vs tors. theta energy: -102.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1520.752135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.752135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.752135 (E_RNA) where: Base-Base interactions energy: -953.892 where: short stacking energy: -426.643 Base-Backbone interact. energy: -1.911 local terms energy: -564.949103 where: bonds (distance) C4'-P energy: -128.824 bonds (distance) P-C4' energy: -134.348 flat angles C4'-P-C4' energy: -120.128 flat angles P-C4'-P energy: -95.220 tors. eta vs tors. theta energy: -86.430 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: 2 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1327.114728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.114728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.114728 (E_RNA) where: Base-Base interactions energy: -835.502 where: short stacking energy: -388.362 Base-Backbone interact. energy: 12.337 local terms energy: -503.950065 where: bonds (distance) C4'-P energy: -128.635 bonds (distance) P-C4' energy: -123.197 flat angles C4'-P-C4' energy: -111.674 flat angles P-C4'-P energy: -64.897 tors. eta vs tors. theta energy: -75.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -707.457256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.457256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.457256 (E_RNA) where: Base-Base interactions energy: -314.473 where: short stacking energy: -187.496 Base-Backbone interact. energy: 3.256 local terms energy: -396.240294 where: bonds (distance) C4'-P energy: -117.842 bonds (distance) P-C4' energy: -129.522 flat angles C4'-P-C4' energy: -102.621 flat angles P-C4'-P energy: -68.990 tors. eta vs tors. theta energy: 22.735 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: 1, replica: 8 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2539.558080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.558080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.558080 (E_RNA) where: Base-Base interactions energy: -1713.071 where: short stacking energy: -760.854 Base-Backbone interact. energy: -2.793 local terms energy: -823.693931 where: bonds (distance) C4'-P energy: -153.016 bonds (distance) P-C4' energy: -148.198 flat angles C4'-P-C4' energy: -169.971 flat angles P-C4'-P energy: -131.573 tors. eta vs tors. theta energy: -220.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2374.600414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.600414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.600414 (E_RNA) where: Base-Base interactions energy: -1604.287 where: short stacking energy: -719.459 Base-Backbone interact. energy: -5.509 local terms energy: -764.804751 where: bonds (distance) C4'-P energy: -153.631 bonds (distance) P-C4' energy: -149.353 flat angles C4'-P-C4' energy: -164.221 flat angles P-C4'-P energy: -100.921 tors. eta vs tors. theta energy: -196.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2255.460727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.460727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.460727 (E_RNA) where: Base-Base interactions energy: -1536.453 where: short stacking energy: -650.921 Base-Backbone interact. energy: -1.927 local terms energy: -717.080128 where: bonds (distance) C4'-P energy: -121.910 bonds (distance) P-C4' energy: -146.268 flat angles C4'-P-C4' energy: -165.381 flat angles P-C4'-P energy: -109.134 tors. eta vs tors. theta energy: -174.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2020.538034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.538034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.538034 (E_RNA) where: Base-Base interactions energy: -1324.524 where: short stacking energy: -622.457 Base-Backbone interact. energy: -2.038 local terms energy: -693.976405 where: bonds (distance) C4'-P energy: -137.387 bonds (distance) P-C4' energy: -135.724 flat angles C4'-P-C4' energy: -147.863 flat angles P-C4'-P energy: -101.801 tors. eta vs tors. theta energy: -171.201 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: 95 Temperature: 1.100000 Total energy: -1960.105869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.105869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.105869 (E_RNA) where: Base-Base interactions energy: -1272.579 where: short stacking energy: -564.752 Base-Backbone interact. energy: -1.790 local terms energy: -685.736774 where: bonds (distance) C4'-P energy: -140.151 bonds (distance) P-C4' energy: -142.982 flat angles C4'-P-C4' energy: -158.313 flat angles P-C4'-P energy: -91.671 tors. eta vs tors. theta energy: -152.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1704.220953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.220953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.220953 (E_RNA) where: Base-Base interactions energy: -1090.048 where: short stacking energy: -486.479 Base-Backbone interact. energy: -1.135 local terms energy: -613.038135 where: bonds (distance) C4'-P energy: -132.379 bonds (distance) P-C4' energy: -127.989 flat angles C4'-P-C4' energy: -149.999 flat angles P-C4'-P energy: -95.396 tors. eta vs tors. theta energy: -107.276 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: 7, replica: 9 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1602.023531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.023531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.023531 (E_RNA) where: Base-Base interactions energy: -1022.224 where: short stacking energy: -464.782 Base-Backbone interact. energy: -3.022 local terms energy: -576.777468 where: bonds (distance) C4'-P energy: -129.358 bonds (distance) P-C4' energy: -117.101 flat angles C4'-P-C4' energy: -130.064 flat angles P-C4'-P energy: -89.055 tors. eta vs tors. theta energy: -111.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1494.793499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.793499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.793499 (E_RNA) where: Base-Base interactions energy: -959.631 where: short stacking energy: -385.023 Base-Backbone interact. energy: -1.974 local terms energy: -533.188912 where: bonds (distance) C4'-P energy: -111.397 bonds (distance) P-C4' energy: -125.425 flat angles C4'-P-C4' energy: -130.226 flat angles P-C4'-P energy: -85.579 tors. eta vs tors. theta energy: -80.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1256.592453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.592453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.592453 (E_RNA) where: Base-Base interactions energy: -790.051 where: short stacking energy: -339.239 Base-Backbone interact. energy: 0.805 local terms energy: -467.346605 where: bonds (distance) C4'-P energy: -117.115 bonds (distance) P-C4' energy: -114.803 flat angles C4'-P-C4' energy: -109.114 flat angles P-C4'-P energy: -76.277 tors. eta vs tors. theta energy: -50.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -731.130114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.130114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.130114 (E_RNA) where: Base-Base interactions energy: -365.131 where: short stacking energy: -182.088 Base-Backbone interact. energy: 1.074 local terms energy: -367.073175 where: bonds (distance) C4'-P energy: -113.159 bonds (distance) P-C4' energy: -130.515 flat angles C4'-P-C4' energy: -106.209 flat angles P-C4'-P energy: -50.315 tors. eta vs tors. theta energy: 33.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2530.781273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.781273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.781273 (E_RNA) where: Base-Base interactions energy: -1750.219 where: short stacking energy: -784.545 Base-Backbone interact. energy: -3.870 local terms energy: -776.692600 where: bonds (distance) C4'-P energy: -144.735 bonds (distance) P-C4' energy: -143.158 flat angles C4'-P-C4' energy: -163.952 flat angles P-C4'-P energy: -111.245 tors. eta vs tors. theta energy: -213.602 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: 2, replica: 1 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2343.849665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.849665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.849665 (E_RNA) where: Base-Base interactions energy: -1571.289 where: short stacking energy: -709.846 Base-Backbone interact. energy: -1.109 local terms energy: -771.451992 where: bonds (distance) C4'-P energy: -152.167 bonds (distance) P-C4' energy: -147.562 flat angles C4'-P-C4' energy: -172.110 flat angles P-C4'-P energy: -96.967 tors. eta vs tors. theta energy: -202.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2174.181831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.181831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.181831 (E_RNA) where: Base-Base interactions energy: -1467.047 where: short stacking energy: -620.341 Base-Backbone interact. energy: -3.616 local terms energy: -703.518790 where: bonds (distance) C4'-P energy: -140.030 bonds (distance) P-C4' energy: -151.338 flat angles C4'-P-C4' energy: -145.772 flat angles P-C4'-P energy: -97.767 tors. eta vs tors. theta energy: -168.612 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: 10 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2007.921664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.921664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.921664 (E_RNA) where: Base-Base interactions energy: -1311.234 where: short stacking energy: -605.195 Base-Backbone interact. energy: 1.343 local terms energy: -698.031586 where: bonds (distance) C4'-P energy: -141.006 bonds (distance) P-C4' energy: -129.136 flat angles C4'-P-C4' energy: -156.633 flat angles P-C4'-P energy: -97.034 tors. eta vs tors. theta energy: -174.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1960.463454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.463454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.463454 (E_RNA) where: Base-Base interactions energy: -1326.495 where: short stacking energy: -562.099 Base-Backbone interact. energy: 2.322 local terms energy: -636.290838 where: bonds (distance) C4'-P energy: -124.575 bonds (distance) P-C4' energy: -126.574 flat angles C4'-P-C4' energy: -141.327 flat angles P-C4'-P energy: -115.246 tors. eta vs tors. theta energy: -128.569 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: 6 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1769.474372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.474372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.474372 (E_RNA) where: Base-Base interactions energy: -1173.751 where: short stacking energy: -524.407 Base-Backbone interact. energy: 1.294 local terms energy: -597.017780 where: bonds (distance) C4'-P energy: -101.138 bonds (distance) P-C4' energy: -133.248 flat angles C4'-P-C4' energy: -143.257 flat angles P-C4'-P energy: -92.278 tors. eta vs tors. theta energy: -127.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1602.096994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.096994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.096994 (E_RNA) where: Base-Base interactions energy: -1032.987 where: short stacking energy: -474.789 Base-Backbone interact. energy: 0.104 local terms energy: -569.213999 where: bonds (distance) C4'-P energy: -125.548 bonds (distance) P-C4' energy: -142.777 flat angles C4'-P-C4' energy: -139.188 flat angles P-C4'-P energy: -55.701 tors. eta vs tors. theta energy: -106.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1533.873967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.873967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.873967 (E_RNA) where: Base-Base interactions energy: -991.486 where: short stacking energy: -446.238 Base-Backbone interact. energy: -1.496 local terms energy: -540.892012 where: bonds (distance) C4'-P energy: -114.482 bonds (distance) P-C4' energy: -122.649 flat angles C4'-P-C4' energy: -138.240 flat angles P-C4'-P energy: -74.301 tors. eta vs tors. theta energy: -91.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1356.815577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.815577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.815577 (E_RNA) where: Base-Base interactions energy: -834.887 where: short stacking energy: -399.750 Base-Backbone interact. energy: -2.903 local terms energy: -519.025166 where: bonds (distance) C4'-P energy: -138.827 bonds (distance) P-C4' energy: -124.282 flat angles C4'-P-C4' energy: -119.298 flat angles P-C4'-P energy: -64.085 tors. eta vs tors. theta energy: -72.532 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: 5 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -728.921489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.921489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.921489 (E_RNA) where: Base-Base interactions energy: -344.961 where: short stacking energy: -199.763 Base-Backbone interact. energy: 0.545 local terms energy: -384.505023 where: bonds (distance) C4'-P energy: -124.803 bonds (distance) P-C4' energy: -128.987 flat angles C4'-P-C4' energy: -75.385 flat angles P-C4'-P energy: -44.458 tors. eta vs tors. theta energy: -10.873 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: 8 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2575.045147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.045147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.045147 (E_RNA) where: Base-Base interactions energy: -1769.184 where: short stacking energy: -768.101 Base-Backbone interact. energy: -2.770 local terms energy: -803.091654 where: bonds (distance) C4'-P energy: -156.329 bonds (distance) P-C4' energy: -143.863 flat angles C4'-P-C4' energy: -169.111 flat angles P-C4'-P energy: -106.627 tors. eta vs tors. theta energy: -227.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2384.410402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.410402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.410402 (E_RNA) where: Base-Base interactions energy: -1625.115 where: short stacking energy: -718.631 Base-Backbone interact. energy: -2.790 local terms energy: -756.505175 where: bonds (distance) C4'-P energy: -140.223 bonds (distance) P-C4' energy: -141.684 flat angles C4'-P-C4' energy: -168.431 flat angles P-C4'-P energy: -100.910 tors. eta vs tors. theta energy: -205.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2193.344702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.344702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.344702 (E_RNA) where: Base-Base interactions energy: -1486.263 where: short stacking energy: -630.556 Base-Backbone interact. energy: -3.512 local terms energy: -703.569420 where: bonds (distance) C4'-P energy: -123.954 bonds (distance) P-C4' energy: -139.811 flat angles C4'-P-C4' energy: -165.536 flat angles P-C4'-P energy: -105.288 tors. eta vs tors. theta energy: -168.980 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: 10 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1999.066915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.066915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.066915 (E_RNA) where: Base-Base interactions energy: -1316.875 where: short stacking energy: -589.322 Base-Backbone interact. energy: -0.510 local terms energy: -681.681649 where: bonds (distance) C4'-P energy: -147.333 bonds (distance) P-C4' energy: -144.386 flat angles C4'-P-C4' energy: -136.870 flat angles P-C4'-P energy: -98.045 tors. eta vs tors. theta energy: -155.047 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: 7 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2041.844981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.844981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.844981 (E_RNA) where: Base-Base interactions energy: -1378.810 where: short stacking energy: -620.294 Base-Backbone interact. energy: 6.196 local terms energy: -669.230336 where: bonds (distance) C4'-P energy: -134.182 bonds (distance) P-C4' energy: -118.396 flat angles C4'-P-C4' energy: -158.761 flat angles P-C4'-P energy: -89.728 tors. eta vs tors. theta energy: -168.162 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: 97 Temperature: 1.150000 Total energy: -1706.259143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.259143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.259143 (E_RNA) where: Base-Base interactions energy: -1114.097 where: short stacking energy: -500.552 Base-Backbone interact. energy: -2.807 local terms energy: -589.354646 where: bonds (distance) C4'-P energy: -126.996 bonds (distance) P-C4' energy: -152.313 flat angles C4'-P-C4' energy: -133.370 flat angles P-C4'-P energy: -77.994 tors. eta vs tors. theta energy: -98.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1601.621052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.621052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.621052 (E_RNA) where: Base-Base interactions energy: -1038.112 where: short stacking energy: -466.713 Base-Backbone interact. energy: 0.086 local terms energy: -563.594512 where: bonds (distance) C4'-P energy: -127.460 bonds (distance) P-C4' energy: -131.769 flat angles C4'-P-C4' energy: -122.428 flat angles P-C4'-P energy: -64.145 tors. eta vs tors. theta energy: -117.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1498.610499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.610499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.610499 (E_RNA) where: Base-Base interactions energy: -959.944 where: short stacking energy: -434.843 Base-Backbone interact. energy: 0.814 local terms energy: -539.480597 where: bonds (distance) C4'-P energy: -117.731 bonds (distance) P-C4' energy: -142.127 flat angles C4'-P-C4' energy: -119.865 flat angles P-C4'-P energy: -64.524 tors. eta vs tors. theta energy: -95.233 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: 2 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1298.524119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.524119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.524119 (E_RNA) where: Base-Base interactions energy: -806.561 where: short stacking energy: -367.909 Base-Backbone interact. energy: 2.261 local terms energy: -494.223943 where: bonds (distance) C4'-P energy: -122.687 bonds (distance) P-C4' energy: -123.763 flat angles C4'-P-C4' energy: -122.107 flat angles P-C4'-P energy: -61.823 tors. eta vs tors. theta energy: -63.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -760.916385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.916385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.916385 (E_RNA) where: Base-Base interactions energy: -375.155 where: short stacking energy: -212.268 Base-Backbone interact. energy: 5.537 local terms energy: -391.297828 where: bonds (distance) C4'-P energy: -99.745 bonds (distance) P-C4' energy: -119.015 flat angles C4'-P-C4' energy: -122.316 flat angles P-C4'-P energy: -63.135 tors. eta vs tors. theta energy: 12.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2573.008215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.008215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.008215 (E_RNA) where: Base-Base interactions energy: -1780.759 where: short stacking energy: -752.641 Base-Backbone interact. energy: -2.663 local terms energy: -789.586808 where: bonds (distance) C4'-P energy: -147.861 bonds (distance) P-C4' energy: -125.364 flat angles C4'-P-C4' energy: -171.868 flat angles P-C4'-P energy: -120.521 tors. eta vs tors. theta energy: -223.973 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: 1 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2400.956992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.956992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.956992 (E_RNA) where: Base-Base interactions energy: -1645.074 where: short stacking energy: -766.746 Base-Backbone interact. energy: -5.102 local terms energy: -750.780834 where: bonds (distance) C4'-P energy: -114.751 bonds (distance) P-C4' energy: -141.175 flat angles C4'-P-C4' energy: -159.892 flat angles P-C4'-P energy: -123.120 tors. eta vs tors. theta energy: -211.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2204.965507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.965507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.965507 (E_RNA) where: Base-Base interactions energy: -1484.869 where: short stacking energy: -667.854 Base-Backbone interact. energy: -3.075 local terms energy: -717.021564 where: bonds (distance) C4'-P energy: -126.792 bonds (distance) P-C4' energy: -143.980 flat angles C4'-P-C4' energy: -177.123 flat angles P-C4'-P energy: -96.850 tors. eta vs tors. theta energy: -172.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2035.591341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.591341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.591341 (E_RNA) where: Base-Base interactions energy: -1342.568 where: short stacking energy: -607.537 Base-Backbone interact. energy: -3.349 local terms energy: -689.674335 where: bonds (distance) C4'-P energy: -123.586 bonds (distance) P-C4' energy: -139.034 flat angles C4'-P-C4' energy: -146.039 flat angles P-C4'-P energy: -103.970 tors. eta vs tors. theta energy: -177.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2026.530068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.530068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.530068 (E_RNA) where: Base-Base interactions energy: -1363.323 where: short stacking energy: -616.852 Base-Backbone interact. energy: -2.364 local terms energy: -660.843487 where: bonds (distance) C4'-P energy: -134.610 bonds (distance) P-C4' energy: -146.848 flat angles C4'-P-C4' energy: -140.470 flat angles P-C4'-P energy: -78.278 tors. eta vs tors. theta energy: -160.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1633.290274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.290274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.290274 (E_RNA) where: Base-Base interactions energy: -1039.086 where: short stacking energy: -467.532 Base-Backbone interact. energy: 0.786 local terms energy: -594.990660 where: bonds (distance) C4'-P energy: -130.685 bonds (distance) P-C4' energy: -140.346 flat angles C4'-P-C4' energy: -134.431 flat angles P-C4'-P energy: -91.005 tors. eta vs tors. theta energy: -98.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1616.330372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.330372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.330372 (E_RNA) where: Base-Base interactions energy: -1039.892 where: short stacking energy: -466.644 Base-Backbone interact. energy: 1.198 local terms energy: -577.636445 where: bonds (distance) C4'-P energy: -128.658 bonds (distance) P-C4' energy: -133.051 flat angles C4'-P-C4' energy: -129.892 flat angles P-C4'-P energy: -72.543 tors. eta vs tors. theta energy: -113.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1535.964306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.964306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.964306 (E_RNA) where: Base-Base interactions energy: -1025.519 where: short stacking energy: -488.073 Base-Backbone interact. energy: -3.230 local terms energy: -507.215173 where: bonds (distance) C4'-P energy: -111.068 bonds (distance) P-C4' energy: -106.440 flat angles C4'-P-C4' energy: -125.833 flat angles P-C4'-P energy: -69.427 tors. eta vs tors. theta energy: -94.448 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: 2 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1268.946329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.946329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.946329 (E_RNA) where: Base-Base interactions energy: -743.785 where: short stacking energy: -352.218 Base-Backbone interact. energy: 4.127 local terms energy: -529.288864 where: bonds (distance) C4'-P energy: -131.228 bonds (distance) P-C4' energy: -128.169 flat angles C4'-P-C4' energy: -126.154 flat angles P-C4'-P energy: -78.250 tors. eta vs tors. theta energy: -65.488 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: 5 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -724.040681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.040681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.040681 (E_RNA) where: Base-Base interactions energy: -338.221 where: short stacking energy: -230.948 Base-Backbone interact. energy: -0.435 local terms energy: -385.385428 where: bonds (distance) C4'-P energy: -112.350 bonds (distance) P-C4' energy: -118.063 flat angles C4'-P-C4' energy: -110.782 flat angles P-C4'-P energy: -55.849 tors. eta vs tors. theta energy: 11.659 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: 8 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2521.694139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.694139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.694139 (E_RNA) where: Base-Base interactions energy: -1755.079 where: short stacking energy: -770.109 Base-Backbone interact. energy: -0.771 local terms energy: -765.844739 where: bonds (distance) C4'-P energy: -127.404 bonds (distance) P-C4' energy: -147.483 flat angles C4'-P-C4' energy: -166.659 flat angles P-C4'-P energy: -113.064 tors. eta vs tors. theta energy: -211.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2446.614360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.614360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.614360 (E_RNA) where: Base-Base interactions energy: -1685.606 where: short stacking energy: -729.366 Base-Backbone interact. energy: -0.739 local terms energy: -760.269290 where: bonds (distance) C4'-P energy: -142.269 bonds (distance) P-C4' energy: -149.614 flat angles C4'-P-C4' energy: -148.594 flat angles P-C4'-P energy: -112.092 tors. eta vs tors. theta energy: -207.699 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: 3 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2198.827179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.827179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.827179 (E_RNA) where: Base-Base interactions energy: -1493.060 where: short stacking energy: -621.211 Base-Backbone interact. energy: -0.695 local terms energy: -705.072662 where: bonds (distance) C4'-P energy: -145.960 bonds (distance) P-C4' energy: -136.708 flat angles C4'-P-C4' energy: -156.216 flat angles P-C4'-P energy: -94.559 tors. eta vs tors. theta energy: -171.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2080.254768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.254768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.254768 (E_RNA) where: Base-Base interactions energy: -1380.219 where: short stacking energy: -617.956 Base-Backbone interact. energy: 1.050 local terms energy: -701.085790 where: bonds (distance) C4'-P energy: -132.506 bonds (distance) P-C4' energy: -140.160 flat angles C4'-P-C4' energy: -150.916 flat angles P-C4'-P energy: -105.290 tors. eta vs tors. theta energy: -172.214 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: 99 Temperature: 1.100000 Total energy: -2028.330373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.330373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.330373 (E_RNA) where: Base-Base interactions energy: -1369.203 where: short stacking energy: -622.569 Base-Backbone interact. energy: -0.901 local terms energy: -658.226239 where: bonds (distance) C4'-P energy: -131.498 bonds (distance) P-C4' energy: -129.809 flat angles C4'-P-C4' energy: -146.434 flat angles P-C4'-P energy: -86.713 tors. eta vs tors. theta energy: -163.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1688.859873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.859873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.859873 (E_RNA) where: Base-Base interactions energy: -1071.544 where: short stacking energy: -493.358 Base-Backbone interact. energy: -3.452 local terms energy: -613.863929 where: bonds (distance) C4'-P energy: -137.602 bonds (distance) P-C4' energy: -135.752 flat angles C4'-P-C4' energy: -141.693 flat angles P-C4'-P energy: -89.912 tors. eta vs tors. theta energy: -108.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1542.215369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.215369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.215369 (E_RNA) where: Base-Base interactions energy: -982.146 where: short stacking energy: -434.108 Base-Backbone interact. energy: -2.017 local terms energy: -558.052469 where: bonds (distance) C4'-P energy: -133.195 bonds (distance) P-C4' energy: -131.642 flat angles C4'-P-C4' energy: -128.076 flat angles P-C4'-P energy: -88.958 tors. eta vs tors. theta energy: -76.181 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: 9 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1525.197290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.197290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.197290 (E_RNA) where: Base-Base interactions energy: -994.584 where: short stacking energy: -464.460 Base-Backbone interact. energy: -2.226 local terms energy: -528.386800 where: bonds (distance) C4'-P energy: -101.222 bonds (distance) P-C4' energy: -130.157 flat angles C4'-P-C4' energy: -120.111 flat angles P-C4'-P energy: -95.499 tors. eta vs tors. theta energy: -81.397 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: 2 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1213.470858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.470858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.470858 (E_RNA) where: Base-Base interactions energy: -746.070 where: short stacking energy: -338.714 Base-Backbone interact. energy: -1.420 local terms energy: -465.981114 where: bonds (distance) C4'-P energy: -122.521 bonds (distance) P-C4' energy: -117.917 flat angles C4'-P-C4' energy: -110.301 flat angles P-C4'-P energy: -70.603 tors. eta vs tors. theta energy: -44.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -738.322934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.322934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.322934 (E_RNA) where: Base-Base interactions energy: -357.715 where: short stacking energy: -247.382 Base-Backbone interact. energy: 4.369 local terms energy: -384.976365 where: bonds (distance) C4'-P energy: -112.912 bonds (distance) P-C4' energy: -118.637 flat angles C4'-P-C4' energy: -96.861 flat angles P-C4'-P energy: -50.250 tors. eta vs tors. theta energy: -6.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2534.651873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.651873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.651873 (E_RNA) where: Base-Base interactions energy: -1751.213 where: short stacking energy: -776.817 Base-Backbone interact. energy: -3.666 local terms energy: -779.772497 where: bonds (distance) C4'-P energy: -127.709 bonds (distance) P-C4' energy: -147.326 flat angles C4'-P-C4' energy: -169.079 flat angles P-C4'-P energy: -118.652 tors. eta vs tors. theta energy: -217.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2434.800897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.800897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.800897 (E_RNA) where: Base-Base interactions energy: -1654.041 where: short stacking energy: -732.232 Base-Backbone interact. energy: -0.956 local terms energy: -779.804330 where: bonds (distance) C4'-P energy: -140.829 bonds (distance) P-C4' energy: -157.771 flat angles C4'-P-C4' energy: -161.405 flat angles P-C4'-P energy: -112.464 tors. eta vs tors. theta energy: -207.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2238.656658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.656658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.656658 (E_RNA) where: Base-Base interactions energy: -1548.427 where: short stacking energy: -653.219 Base-Backbone interact. energy: -3.935 local terms energy: -686.294619 where: bonds (distance) C4'-P energy: -123.312 bonds (distance) P-C4' energy: -142.646 flat angles C4'-P-C4' energy: -156.879 flat angles P-C4'-P energy: -81.232 tors. eta vs tors. theta energy: -182.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2076.923217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.923217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.923217 (E_RNA) where: Base-Base interactions energy: -1410.315 where: short stacking energy: -637.245 Base-Backbone interact. energy: -0.564 local terms energy: -666.043983 where: bonds (distance) C4'-P energy: -129.484 bonds (distance) P-C4' energy: -132.177 flat angles C4'-P-C4' energy: -139.973 flat angles P-C4'-P energy: -105.724 tors. eta vs tors. theta energy: -158.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2021.215313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.215313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.215313 (E_RNA) where: Base-Base interactions energy: -1350.914 where: short stacking energy: -609.583 Base-Backbone interact. energy: -2.987 local terms energy: -667.314585 where: bonds (distance) C4'-P energy: -122.987 bonds (distance) P-C4' energy: -129.091 flat angles C4'-P-C4' energy: -163.014 flat angles P-C4'-P energy: -87.881 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: 4 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1751.470311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.470311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.470311 (E_RNA) where: Base-Base interactions energy: -1145.001 where: short stacking energy: -546.664 Base-Backbone interact. energy: -1.756 local terms energy: -604.713438 where: bonds (distance) C4'-P energy: -111.243 bonds (distance) P-C4' energy: -128.198 flat angles C4'-P-C4' energy: -144.162 flat angles P-C4'-P energy: -87.223 tors. eta vs tors. theta energy: -133.887 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: 6 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1567.571689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.571689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.571689 (E_RNA) where: Base-Base interactions energy: -984.590 where: short stacking energy: -428.899 Base-Backbone interact. energy: 0.291 local terms energy: -583.272462 where: bonds (distance) C4'-P energy: -118.284 bonds (distance) P-C4' energy: -147.547 flat angles C4'-P-C4' energy: -146.880 flat angles P-C4'-P energy: -78.660 tors. eta vs tors. theta energy: -91.902 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: 8, replica: 9 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1550.747847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.747847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.747847 (E_RNA) where: Base-Base interactions energy: -1000.397 where: short stacking energy: -431.464 Base-Backbone interact. energy: 5.857 local terms energy: -556.207170 where: bonds (distance) C4'-P energy: -124.301 bonds (distance) P-C4' energy: -136.084 flat angles C4'-P-C4' energy: -120.366 flat angles P-C4'-P energy: -76.892 tors. eta vs tors. theta energy: -98.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1188.311320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.311320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.311320 (E_RNA) where: Base-Base interactions energy: -718.406 where: short stacking energy: -334.782 Base-Backbone interact. energy: -2.620 local terms energy: -467.286041 where: bonds (distance) C4'-P energy: -109.352 bonds (distance) P-C4' energy: -132.771 flat angles C4'-P-C4' energy: -124.453 flat angles P-C4'-P energy: -65.906 tors. eta vs tors. theta energy: -34.804 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: 5 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -773.189199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.189199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.189199 (E_RNA) where: Base-Base interactions energy: -358.478 where: short stacking energy: -210.947 Base-Backbone interact. energy: -0.586 local terms energy: -414.124713 where: bonds (distance) C4'-P energy: -123.280 bonds (distance) P-C4' energy: -113.230 flat angles C4'-P-C4' energy: -112.756 flat angles P-C4'-P energy: -68.616 tors. eta vs tors. theta energy: 3.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2530.039690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.039690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.039690 (E_RNA) where: Base-Base interactions energy: -1741.383 where: short stacking energy: -750.200 Base-Backbone interact. energy: -2.079 local terms energy: -786.577908 where: bonds (distance) C4'-P energy: -145.757 bonds (distance) P-C4' energy: -154.003 flat angles C4'-P-C4' energy: -161.894 flat angles P-C4'-P energy: -116.687 tors. eta vs tors. theta energy: -208.236 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: 2, replica: 1 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2489.754227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.754227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.754227 (E_RNA) where: Base-Base interactions energy: -1724.967 where: short stacking energy: -740.552 Base-Backbone interact. energy: -1.419 local terms energy: -763.368341 where: bonds (distance) C4'-P energy: -139.478 bonds (distance) P-C4' energy: -145.704 flat angles C4'-P-C4' energy: -167.503 flat angles P-C4'-P energy: -104.912 tors. eta vs tors. theta energy: -205.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2238.822952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.822952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.822952 (E_RNA) where: Base-Base interactions energy: -1515.528 where: short stacking energy: -651.669 Base-Backbone interact. energy: 2.296 local terms energy: -725.590334 where: bonds (distance) C4'-P energy: -143.449 bonds (distance) P-C4' energy: -139.055 flat angles C4'-P-C4' energy: -151.839 flat angles P-C4'-P energy: -112.534 tors. eta vs tors. theta energy: -178.714 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: 7 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2103.989564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.989564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.989564 (E_RNA) where: Base-Base interactions energy: -1410.272 where: short stacking energy: -630.580 Base-Backbone interact. energy: -2.796 local terms energy: -690.921641 where: bonds (distance) C4'-P energy: -140.184 bonds (distance) P-C4' energy: -131.661 flat angles C4'-P-C4' energy: -148.309 flat angles P-C4'-P energy: -94.434 tors. eta vs tors. theta energy: -176.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2008.053639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.053639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.053639 (E_RNA) where: Base-Base interactions energy: -1304.217 where: short stacking energy: -588.906 Base-Backbone interact. energy: -4.464 local terms energy: -699.373075 where: bonds (distance) C4'-P energy: -132.201 bonds (distance) P-C4' energy: -153.501 flat angles C4'-P-C4' energy: -144.609 flat angles P-C4'-P energy: -100.412 tors. eta vs tors. theta energy: -168.650 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: 4 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1751.519564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.519564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.519564 (E_RNA) where: Base-Base interactions energy: -1158.864 where: short stacking energy: -552.611 Base-Backbone interact. energy: -0.208 local terms energy: -592.447257 where: bonds (distance) C4'-P energy: -113.631 bonds (distance) P-C4' energy: -120.020 flat angles C4'-P-C4' energy: -148.331 flat angles P-C4'-P energy: -72.530 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: 7, replica: 6 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1614.706594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.706594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.706594 (E_RNA) where: Base-Base interactions energy: -1027.036 where: short stacking energy: -460.872 Base-Backbone interact. energy: 1.202 local terms energy: -588.872802 where: bonds (distance) C4'-P energy: -132.978 bonds (distance) P-C4' energy: -147.364 flat angles C4'-P-C4' energy: -133.094 flat angles P-C4'-P energy: -71.068 tors. eta vs tors. theta energy: -104.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1532.129671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.129671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.129671 (E_RNA) where: Base-Base interactions energy: -1029.128 where: short stacking energy: -462.914 Base-Backbone interact. energy: 9.397 local terms energy: -512.399156 where: bonds (distance) C4'-P energy: -108.239 bonds (distance) P-C4' energy: -109.496 flat angles C4'-P-C4' energy: -118.233 flat angles P-C4'-P energy: -84.654 tors. eta vs tors. theta energy: -91.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1152.399029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.399029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.399029 (E_RNA) where: Base-Base interactions energy: -683.887 where: short stacking energy: -312.901 Base-Backbone interact. energy: -0.661 local terms energy: -467.851283 where: bonds (distance) C4'-P energy: -111.630 bonds (distance) P-C4' energy: -137.492 flat angles C4'-P-C4' energy: -123.104 flat angles P-C4'-P energy: -63.183 tors. eta vs tors. theta energy: -32.442 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: 10, replica: 5 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -791.475553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.475553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.475553 (E_RNA) where: Base-Base interactions energy: -378.587 where: short stacking energy: -188.817 Base-Backbone interact. energy: -1.228 local terms energy: -411.660747 where: bonds (distance) C4'-P energy: -133.197 bonds (distance) P-C4' energy: -117.391 flat angles C4'-P-C4' energy: -113.547 flat angles P-C4'-P energy: -59.814 tors. eta vs tors. theta energy: 12.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2526.175320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.175320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.175320 (E_RNA) where: Base-Base interactions energy: -1746.726 where: short stacking energy: -746.999 Base-Backbone interact. energy: 0.865 local terms energy: -780.314039 where: bonds (distance) C4'-P energy: -130.147 bonds (distance) P-C4' energy: -149.179 flat angles C4'-P-C4' energy: -176.282 flat angles P-C4'-P energy: -106.486 tors. eta vs tors. theta energy: -218.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2493.270911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.270911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.270911 (E_RNA) where: Base-Base interactions energy: -1731.233 where: short stacking energy: -765.276 Base-Backbone interact. energy: 0.767 local terms energy: -762.805320 where: bonds (distance) C4'-P energy: -141.955 bonds (distance) P-C4' energy: -136.343 flat angles C4'-P-C4' energy: -168.867 flat angles P-C4'-P energy: -104.210 tors. eta vs tors. theta energy: -211.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2179.181689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.181689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.181689 (E_RNA) where: Base-Base interactions energy: -1458.859 where: short stacking energy: -619.671 Base-Backbone interact. energy: -4.738 local terms energy: -715.584795 where: bonds (distance) C4'-P energy: -131.277 bonds (distance) P-C4' energy: -151.950 flat angles C4'-P-C4' energy: -167.260 flat angles P-C4'-P energy: -102.755 tors. eta vs tors. theta energy: -162.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2118.748621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.748621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.748621 (E_RNA) where: Base-Base interactions energy: -1380.350 where: short stacking energy: -599.647 Base-Backbone interact. energy: 1.198 local terms energy: -739.596753 where: bonds (distance) C4'-P energy: -137.869 bonds (distance) P-C4' energy: -153.619 flat angles C4'-P-C4' energy: -160.343 flat angles P-C4'-P energy: -114.007 tors. eta vs tors. theta energy: -173.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2024.838648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.838648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.838648 (E_RNA) where: Base-Base interactions energy: -1317.134 where: short stacking energy: -584.905 Base-Backbone interact. energy: -2.153 local terms energy: -705.550886 where: bonds (distance) C4'-P energy: -140.979 bonds (distance) P-C4' energy: -135.493 flat angles C4'-P-C4' energy: -147.629 flat angles P-C4'-P energy: -110.170 tors. eta vs tors. theta energy: -171.280 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: 4 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1755.359097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.359097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.359097 (E_RNA) where: Base-Base interactions energy: -1163.425 where: short stacking energy: -529.357 Base-Backbone interact. energy: -2.376 local terms energy: -589.558137 where: bonds (distance) C4'-P energy: -111.188 bonds (distance) P-C4' energy: -118.820 flat angles C4'-P-C4' energy: -132.137 flat angles P-C4'-P energy: -94.096 tors. eta vs tors. theta energy: -133.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1679.964727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.964727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.964727 (E_RNA) where: Base-Base interactions energy: -1082.299 where: short stacking energy: -486.228 Base-Backbone interact. energy: -0.781 local terms energy: -596.885077 where: bonds (distance) C4'-P energy: -146.876 bonds (distance) P-C4' energy: -143.685 flat angles C4'-P-C4' energy: -133.014 flat angles P-C4'-P energy: -76.340 tors. eta vs tors. theta energy: -96.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1560.882271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.882271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.882271 (E_RNA) where: Base-Base interactions energy: -991.175 where: short stacking energy: -464.047 Base-Backbone interact. energy: -0.761 local terms energy: -568.945955 where: bonds (distance) C4'-P energy: -116.701 bonds (distance) P-C4' energy: -134.568 flat angles C4'-P-C4' energy: -138.574 flat angles P-C4'-P energy: -84.517 tors. eta vs tors. theta energy: -94.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1180.385260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.385260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.385260 (E_RNA) where: Base-Base interactions energy: -710.160 where: short stacking energy: -334.336 Base-Backbone interact. energy: 11.217 local terms energy: -481.442388 where: bonds (distance) C4'-P energy: -137.266 bonds (distance) P-C4' energy: -97.734 flat angles C4'-P-C4' energy: -128.899 flat angles P-C4'-P energy: -63.856 tors. eta vs tors. theta energy: -53.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -779.963954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.963954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.963954 (E_RNA) where: Base-Base interactions energy: -370.697 where: short stacking energy: -217.547 Base-Backbone interact. energy: -0.826 local terms energy: -408.440685 where: bonds (distance) C4'-P energy: -114.276 bonds (distance) P-C4' energy: -120.403 flat angles C4'-P-C4' energy: -109.860 flat angles P-C4'-P energy: -74.339 tors. eta vs tors. theta energy: 10.437 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: 8 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2549.874546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.874546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.874546 (E_RNA) where: Base-Base interactions energy: -1755.888 where: short stacking energy: -754.131 Base-Backbone interact. energy: -3.039 local terms energy: -790.947704 where: bonds (distance) C4'-P energy: -153.433 bonds (distance) P-C4' energy: -139.099 flat angles C4'-P-C4' energy: -165.696 flat angles P-C4'-P energy: -121.166 tors. eta vs tors. theta energy: -211.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2459.339067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.339067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.339067 (E_RNA) where: Base-Base interactions energy: -1699.078 where: short stacking energy: -727.369 Base-Backbone interact. energy: -1.663 local terms energy: -758.598293 where: bonds (distance) C4'-P energy: -136.560 bonds (distance) P-C4' energy: -143.505 flat angles C4'-P-C4' energy: -165.793 flat angles P-C4'-P energy: -113.158 tors. eta vs tors. theta energy: -199.581 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: 103 Temperature: 1.000000 Total energy: -2221.327563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.327563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.327563 (E_RNA) where: Base-Base interactions energy: -1487.227 where: short stacking energy: -638.051 Base-Backbone interact. energy: -4.121 local terms energy: -729.979776 where: bonds (distance) C4'-P energy: -149.309 bonds (distance) P-C4' energy: -122.728 flat angles C4'-P-C4' energy: -161.011 flat angles P-C4'-P energy: -110.912 tors. eta vs tors. theta energy: -186.020 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: 7 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2077.819898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.819898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.819898 (E_RNA) where: Base-Base interactions energy: -1340.769 where: short stacking energy: -605.309 Base-Backbone interact. energy: -0.866 local terms energy: -736.184752 where: bonds (distance) C4'-P energy: -146.236 bonds (distance) P-C4' energy: -142.275 flat angles C4'-P-C4' energy: -166.985 flat angles P-C4'-P energy: -102.384 tors. eta vs tors. theta energy: -178.304 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: 10 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2021.961791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.961791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.961791 (E_RNA) where: Base-Base interactions energy: -1351.607 where: short stacking energy: -604.119 Base-Backbone interact. energy: 0.076 local terms energy: -670.430478 where: bonds (distance) C4'-P energy: -139.442 bonds (distance) P-C4' energy: -129.511 flat angles C4'-P-C4' energy: -148.001 flat angles P-C4'-P energy: -92.331 tors. eta vs tors. theta energy: -161.145 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: 6, replica: 4 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1733.481882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.481882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.481882 (E_RNA) where: Base-Base interactions energy: -1092.000 where: short stacking energy: -507.848 Base-Backbone interact. energy: 0.809 local terms energy: -642.290899 where: bonds (distance) C4'-P energy: -121.851 bonds (distance) P-C4' energy: -145.550 flat angles C4'-P-C4' energy: -143.481 flat angles P-C4'-P energy: -101.809 tors. eta vs tors. theta energy: -129.600 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: 6 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1677.623985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.623985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.623985 (E_RNA) where: Base-Base interactions energy: -1116.506 where: short stacking energy: -505.752 Base-Backbone interact. energy: -3.180 local terms energy: -557.938404 where: bonds (distance) C4'-P energy: -112.964 bonds (distance) P-C4' energy: -123.271 flat angles C4'-P-C4' energy: -131.641 flat angles P-C4'-P energy: -87.662 tors. eta vs tors. theta energy: -102.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1470.404078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.404078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.404078 (E_RNA) where: Base-Base interactions energy: -964.654 where: short stacking energy: -434.162 Base-Backbone interact. energy: 2.154 local terms energy: -507.903484 where: bonds (distance) C4'-P energy: -101.718 bonds (distance) P-C4' energy: -122.494 flat angles C4'-P-C4' energy: -132.126 flat angles P-C4'-P energy: -61.328 tors. eta vs tors. theta energy: -90.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1080.059012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.059012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.059012 (E_RNA) where: Base-Base interactions energy: -619.208 where: short stacking energy: -323.258 Base-Backbone interact. energy: -2.682 local terms energy: -458.168576 where: bonds (distance) C4'-P energy: -126.729 bonds (distance) P-C4' energy: -112.906 flat angles C4'-P-C4' energy: -109.030 flat angles P-C4'-P energy: -72.022 tors. eta vs tors. theta energy: -37.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -789.426007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.426007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.426007 (E_RNA) where: Base-Base interactions energy: -366.259 where: short stacking energy: -227.436 Base-Backbone interact. energy: 5.706 local terms energy: -428.873479 where: bonds (distance) C4'-P energy: -114.357 bonds (distance) P-C4' energy: -114.206 flat angles C4'-P-C4' energy: -122.660 flat angles P-C4'-P energy: -79.532 tors. eta vs tors. theta energy: 1.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2515.807056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.807056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.807056 (E_RNA) where: Base-Base interactions energy: -1723.736 where: short stacking energy: -742.835 Base-Backbone interact. energy: -4.994 local terms energy: -787.077939 where: bonds (distance) C4'-P energy: -140.980 bonds (distance) P-C4' energy: -149.307 flat angles C4'-P-C4' energy: -176.962 flat angles P-C4'-P energy: -108.943 tors. eta vs tors. theta energy: -210.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2446.399938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.399938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.399938 (E_RNA) where: Base-Base interactions energy: -1701.481 where: short stacking energy: -728.282 Base-Backbone interact. energy: -5.029 local terms energy: -739.889476 where: bonds (distance) C4'-P energy: -133.284 bonds (distance) P-C4' energy: -121.029 flat angles C4'-P-C4' energy: -170.536 flat angles P-C4'-P energy: -102.797 tors. eta vs tors. theta energy: -212.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2288.164776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.164776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.164776 (E_RNA) where: Base-Base interactions energy: -1547.751 where: short stacking energy: -657.288 Base-Backbone interact. energy: 0.952 local terms energy: -741.366098 where: bonds (distance) C4'-P energy: -145.066 bonds (distance) P-C4' energy: -137.423 flat angles C4'-P-C4' energy: -170.272 flat angles P-C4'-P energy: -110.323 tors. eta vs tors. theta energy: -178.282 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: 104 Temperature: 1.050000 Total energy: -2099.293942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.293942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.293942 (E_RNA) where: Base-Base interactions energy: -1400.589 where: short stacking energy: -630.396 Base-Backbone interact. energy: -0.950 local terms energy: -697.754993 where: bonds (distance) C4'-P energy: -139.206 bonds (distance) P-C4' energy: -123.046 flat angles C4'-P-C4' energy: -151.355 flat angles P-C4'-P energy: -108.882 tors. eta vs tors. theta energy: -175.266 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: 10 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2042.738715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.738715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.738715 (E_RNA) where: Base-Base interactions energy: -1373.692 where: short stacking energy: -606.704 Base-Backbone interact. energy: 0.019 local terms energy: -669.065435 where: bonds (distance) C4'-P energy: -119.265 bonds (distance) P-C4' energy: -136.385 flat angles C4'-P-C4' energy: -156.106 flat angles P-C4'-P energy: -91.300 tors. eta vs tors. theta energy: -166.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1775.080630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.080630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.080630 (E_RNA) where: Base-Base interactions energy: -1163.049 where: short stacking energy: -514.252 Base-Backbone interact. energy: -3.846 local terms energy: -608.185655 where: bonds (distance) C4'-P energy: -113.663 bonds (distance) P-C4' energy: -144.407 flat angles C4'-P-C4' energy: -129.460 flat angles P-C4'-P energy: -92.590 tors. eta vs tors. theta energy: -128.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1699.984805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.984805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.984805 (E_RNA) where: Base-Base interactions energy: -1111.556 where: short stacking energy: -509.378 Base-Backbone interact. energy: -2.790 local terms energy: -585.639170 where: bonds (distance) C4'-P energy: -110.250 bonds (distance) P-C4' energy: -125.407 flat angles C4'-P-C4' energy: -148.158 flat angles P-C4'-P energy: -78.280 tors. eta vs tors. theta energy: -123.545 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: 8, replica: 9 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1454.815298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.815298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.815298 (E_RNA) where: Base-Base interactions energy: -902.763 where: short stacking energy: -414.297 Base-Backbone interact. energy: -0.126 local terms energy: -551.926601 where: bonds (distance) C4'-P energy: -115.208 bonds (distance) P-C4' energy: -121.196 flat angles C4'-P-C4' energy: -135.366 flat angles P-C4'-P energy: -100.147 tors. eta vs tors. theta energy: -80.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1087.966953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.966953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.966953 (E_RNA) where: Base-Base interactions energy: -621.109 where: short stacking energy: -312.935 Base-Backbone interact. energy: -0.778 local terms energy: -466.080516 where: bonds (distance) C4'-P energy: -118.956 bonds (distance) P-C4' energy: -113.583 flat angles C4'-P-C4' energy: -122.739 flat angles P-C4'-P energy: -75.651 tors. eta vs tors. theta energy: -35.151 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: 5 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -746.104404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.104404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.104404 (E_RNA) where: Base-Base interactions energy: -347.704 where: short stacking energy: -209.598 Base-Backbone interact. energy: 1.758 local terms energy: -400.158096 where: bonds (distance) C4'-P energy: -106.074 bonds (distance) P-C4' energy: -111.946 flat angles C4'-P-C4' energy: -122.076 flat angles P-C4'-P energy: -63.754 tors. eta vs tors. theta energy: 3.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2523.459584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.459584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.459584 (E_RNA) where: Base-Base interactions energy: -1713.753 where: short stacking energy: -744.107 Base-Backbone interact. energy: 0.172 local terms energy: -809.878681 where: bonds (distance) C4'-P energy: -160.455 bonds (distance) P-C4' energy: -153.385 flat angles C4'-P-C4' energy: -169.247 flat angles P-C4'-P energy: -124.992 tors. eta vs tors. theta energy: -201.800 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: 1 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2446.091752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.091752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.091752 (E_RNA) where: Base-Base interactions energy: -1685.383 where: short stacking energy: -702.314 Base-Backbone interact. energy: 1.935 local terms energy: -762.643813 where: bonds (distance) C4'-P energy: -138.048 bonds (distance) P-C4' energy: -143.486 flat angles C4'-P-C4' energy: -148.299 flat angles P-C4'-P energy: -120.086 tors. eta vs tors. theta energy: -212.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2275.193849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.193849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.193849 (E_RNA) where: Base-Base interactions energy: -1519.832 where: short stacking energy: -654.031 Base-Backbone interact. energy: -4.945 local terms energy: -750.416914 where: bonds (distance) C4'-P energy: -155.301 bonds (distance) P-C4' energy: -141.050 flat angles C4'-P-C4' energy: -150.052 flat angles P-C4'-P energy: -114.073 tors. eta vs tors. theta energy: -189.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2181.685349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.685349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.685349 (E_RNA) where: Base-Base interactions energy: -1467.301 where: short stacking energy: -694.108 Base-Backbone interact. energy: 2.310 local terms energy: -716.694404 where: bonds (distance) C4'-P energy: -128.165 bonds (distance) P-C4' energy: -146.936 flat angles C4'-P-C4' energy: -156.017 flat angles P-C4'-P energy: -93.017 tors. eta vs tors. theta energy: -192.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2043.681804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.681804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.681804 (E_RNA) where: Base-Base interactions energy: -1372.246 where: short stacking energy: -601.271 Base-Backbone interact. energy: 1.811 local terms energy: -673.246911 where: bonds (distance) C4'-P energy: -110.407 bonds (distance) P-C4' energy: -136.602 flat angles C4'-P-C4' energy: -169.417 flat angles P-C4'-P energy: -98.542 tors. eta vs tors. theta energy: -158.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1821.525673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.525673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.525673 (E_RNA) where: Base-Base interactions energy: -1211.431 where: short stacking energy: -523.143 Base-Backbone interact. energy: -2.963 local terms energy: -607.131939 where: bonds (distance) C4'-P energy: -122.369 bonds (distance) P-C4' energy: -122.153 flat angles C4'-P-C4' energy: -145.537 flat angles P-C4'-P energy: -79.853 tors. eta vs tors. theta energy: -137.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1626.822650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.822650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.822650 (E_RNA) where: Base-Base interactions energy: -1042.886 where: short stacking energy: -473.957 Base-Backbone interact. energy: 2.985 local terms energy: -586.921806 where: bonds (distance) C4'-P energy: -120.683 bonds (distance) P-C4' energy: -122.119 flat angles C4'-P-C4' energy: -153.520 flat angles P-C4'-P energy: -91.747 tors. eta vs tors. theta energy: -98.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1518.046873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.046873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.046873 (E_RNA) where: Base-Base interactions energy: -971.663 where: short stacking energy: -442.168 Base-Backbone interact. energy: 0.092 local terms energy: -546.475978 where: bonds (distance) C4'-P energy: -123.543 bonds (distance) P-C4' energy: -131.649 flat angles C4'-P-C4' energy: -130.628 flat angles P-C4'-P energy: -76.178 tors. eta vs tors. theta energy: -84.478 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: 2 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1086.506832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.506832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.506832 (E_RNA) where: Base-Base interactions energy: -615.333 where: short stacking energy: -321.631 Base-Backbone interact. energy: -1.662 local terms energy: -469.511166 where: bonds (distance) C4'-P energy: -107.607 bonds (distance) P-C4' energy: -148.165 flat angles C4'-P-C4' energy: -93.869 flat angles P-C4'-P energy: -72.955 tors. eta vs tors. theta energy: -46.915 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: 5 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -779.835393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.835393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.835393 (E_RNA) where: Base-Base interactions energy: -347.263 where: short stacking energy: -225.351 Base-Backbone interact. energy: -2.694 local terms energy: -429.877876 where: bonds (distance) C4'-P energy: -135.367 bonds (distance) P-C4' energy: -124.523 flat angles C4'-P-C4' energy: -106.262 flat angles P-C4'-P energy: -64.679 tors. eta vs tors. theta energy: 0.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2563.007245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.007245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.007245 (E_RNA) where: Base-Base interactions energy: -1744.456 where: short stacking energy: -769.193 Base-Backbone interact. energy: -1.256 local terms energy: -817.295286 where: bonds (distance) C4'-P energy: -150.386 bonds (distance) P-C4' energy: -145.460 flat angles C4'-P-C4' energy: -176.329 flat angles P-C4'-P energy: -125.295 tors. eta vs tors. theta energy: -219.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2447.160409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.160409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.160409 (E_RNA) where: Base-Base interactions energy: -1649.183 where: short stacking energy: -698.668 Base-Backbone interact. energy: -3.188 local terms energy: -794.788896 where: bonds (distance) C4'-P energy: -148.060 bonds (distance) P-C4' energy: -145.627 flat angles C4'-P-C4' energy: -167.469 flat angles P-C4'-P energy: -115.709 tors. eta vs tors. theta energy: -217.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2257.430322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.430322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.430322 (E_RNA) where: Base-Base interactions energy: -1545.135 where: short stacking energy: -659.696 Base-Backbone interact. energy: -3.762 local terms energy: -708.533286 where: bonds (distance) C4'-P energy: -146.794 bonds (distance) P-C4' energy: -131.543 flat angles C4'-P-C4' energy: -161.679 flat angles P-C4'-P energy: -93.047 tors. eta vs tors. theta energy: -175.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2143.470643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.470643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.470643 (E_RNA) where: Base-Base interactions energy: -1443.997 where: short stacking energy: -674.871 Base-Backbone interact. energy: 0.838 local terms energy: -700.311596 where: bonds (distance) C4'-P energy: -129.457 bonds (distance) P-C4' energy: -126.425 flat angles C4'-P-C4' energy: -154.657 flat angles P-C4'-P energy: -106.541 tors. eta vs tors. theta energy: -183.231 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: 10 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2017.136479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.136479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.136479 (E_RNA) where: Base-Base interactions energy: -1346.284 where: short stacking energy: -596.410 Base-Backbone interact. energy: -3.523 local terms energy: -667.329956 where: bonds (distance) C4'-P energy: -139.999 bonds (distance) P-C4' energy: -132.859 flat angles C4'-P-C4' energy: -140.258 flat angles P-C4'-P energy: -100.524 tors. eta vs tors. theta energy: -153.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1794.912902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.912902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.912902 (E_RNA) where: Base-Base interactions energy: -1163.270 where: short stacking energy: -513.881 Base-Backbone interact. energy: -2.508 local terms energy: -629.135175 where: bonds (distance) C4'-P energy: -126.443 bonds (distance) P-C4' energy: -127.283 flat angles C4'-P-C4' energy: -146.671 flat angles P-C4'-P energy: -81.942 tors. eta vs tors. theta energy: -146.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1609.757399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.757399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.757399 (E_RNA) where: Base-Base interactions energy: -1050.084 where: short stacking energy: -483.595 Base-Backbone interact. energy: -1.080 local terms energy: -558.593307 where: bonds (distance) C4'-P energy: -103.115 bonds (distance) P-C4' energy: -103.585 flat angles C4'-P-C4' energy: -154.806 flat angles P-C4'-P energy: -90.779 tors. eta vs tors. theta energy: -106.308 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: 9 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1468.190480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.190480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.190480 (E_RNA) where: Base-Base interactions energy: -933.428 where: short stacking energy: -397.610 Base-Backbone interact. energy: -2.004 local terms energy: -532.758349 where: bonds (distance) C4'-P energy: -117.155 bonds (distance) P-C4' energy: -119.344 flat angles C4'-P-C4' energy: -143.602 flat angles P-C4'-P energy: -73.768 tors. eta vs tors. theta energy: -78.891 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: 2 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1064.449667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.449667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.449667 (E_RNA) where: Base-Base interactions energy: -614.215 where: short stacking energy: -303.548 Base-Backbone interact. energy: 0.192 local terms energy: -450.426406 where: bonds (distance) C4'-P energy: -107.141 bonds (distance) P-C4' energy: -103.861 flat angles C4'-P-C4' energy: -118.971 flat angles P-C4'-P energy: -71.951 tors. eta vs tors. theta energy: -48.502 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: 5 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -767.804917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.804917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.804917 (E_RNA) where: Base-Base interactions energy: -372.686 where: short stacking energy: -248.290 Base-Backbone interact. energy: 3.923 local terms energy: -399.041523 where: bonds (distance) C4'-P energy: -116.475 bonds (distance) P-C4' energy: -126.237 flat angles C4'-P-C4' energy: -109.161 flat angles P-C4'-P energy: -44.844 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: 8 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2525.194956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.194956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.194956 (E_RNA) where: Base-Base interactions energy: -1732.530 where: short stacking energy: -775.201 Base-Backbone interact. energy: -2.294 local terms energy: -790.371391 where: bonds (distance) C4'-P energy: -156.645 bonds (distance) P-C4' energy: -143.708 flat angles C4'-P-C4' energy: -167.537 flat angles P-C4'-P energy: -106.059 tors. eta vs tors. theta energy: -216.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2455.811462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.811462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.811462 (E_RNA) where: Base-Base interactions energy: -1695.813 where: short stacking energy: -734.706 Base-Backbone interact. energy: -3.483 local terms energy: -756.515757 where: bonds (distance) C4'-P energy: -134.895 bonds (distance) P-C4' energy: -145.368 flat angles C4'-P-C4' energy: -161.545 flat angles P-C4'-P energy: -108.289 tors. eta vs tors. theta energy: -206.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2212.024777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.024777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.024777 (E_RNA) where: Base-Base interactions energy: -1487.363 where: short stacking energy: -655.290 Base-Backbone interact. energy: 3.710 local terms energy: -728.372037 where: bonds (distance) C4'-P energy: -139.860 bonds (distance) P-C4' energy: -143.810 flat angles C4'-P-C4' energy: -165.738 flat angles P-C4'-P energy: -92.094 tors. eta vs tors. theta energy: -186.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2118.890926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.890926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.890926 (E_RNA) where: Base-Base interactions energy: -1408.326 where: short stacking energy: -634.515 Base-Backbone interact. energy: -3.583 local terms energy: -706.982250 where: bonds (distance) C4'-P energy: -133.968 bonds (distance) P-C4' energy: -146.161 flat angles C4'-P-C4' energy: -147.499 flat angles P-C4'-P energy: -106.925 tors. eta vs tors. theta energy: -172.430 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: 107 Temperature: 1.100000 Total energy: -2004.544349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.544349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.544349 (E_RNA) where: Base-Base interactions energy: -1324.272 where: short stacking energy: -618.106 Base-Backbone interact. energy: -2.182 local terms energy: -678.091183 where: bonds (distance) C4'-P energy: -143.640 bonds (distance) P-C4' energy: -130.561 flat angles C4'-P-C4' energy: -146.810 flat angles P-C4'-P energy: -91.506 tors. eta vs tors. theta energy: -165.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1843.803683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.803683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.803683 (E_RNA) where: Base-Base interactions energy: -1235.804 where: short stacking energy: -564.504 Base-Backbone interact. energy: -5.200 local terms energy: -602.800346 where: bonds (distance) C4'-P energy: -107.663 bonds (distance) P-C4' energy: -133.944 flat angles C4'-P-C4' energy: -136.976 flat angles P-C4'-P energy: -84.507 tors. eta vs tors. theta energy: -139.712 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: 6 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1650.359768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.359768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.359768 (E_RNA) where: Base-Base interactions energy: -1085.716 where: short stacking energy: -490.475 Base-Backbone interact. energy: 1.731 local terms energy: -566.375150 where: bonds (distance) C4'-P energy: -117.250 bonds (distance) P-C4' energy: -131.757 flat angles C4'-P-C4' energy: -119.404 flat angles P-C4'-P energy: -83.363 tors. eta vs tors. theta energy: -114.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1420.872827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.872827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.872827 (E_RNA) where: Base-Base interactions energy: -936.556 where: short stacking energy: -416.810 Base-Backbone interact. energy: -4.045 local terms energy: -480.272204 where: bonds (distance) C4'-P energy: -99.754 bonds (distance) P-C4' energy: -117.694 flat angles C4'-P-C4' energy: -108.358 flat angles P-C4'-P energy: -71.801 tors. eta vs tors. theta energy: -82.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1056.718018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.718018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.718018 (E_RNA) where: Base-Base interactions energy: -630.514 where: short stacking energy: -305.637 Base-Backbone interact. energy: 6.114 local terms energy: -432.318205 where: bonds (distance) C4'-P energy: -123.398 bonds (distance) P-C4' energy: -105.353 flat angles C4'-P-C4' energy: -128.153 flat angles P-C4'-P energy: -68.574 tors. eta vs tors. theta energy: -6.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -712.442546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.442546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.442546 (E_RNA) where: Base-Base interactions energy: -303.052 where: short stacking energy: -167.648 Base-Backbone interact. energy: 0.609 local terms energy: -410.000456 where: bonds (distance) C4'-P energy: -136.253 bonds (distance) P-C4' energy: -137.190 flat angles C4'-P-C4' energy: -109.427 flat angles P-C4'-P energy: -58.212 tors. eta vs tors. theta energy: 31.081 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: 8 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2554.112028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.112028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.112028 (E_RNA) where: Base-Base interactions energy: -1732.485 where: short stacking energy: -782.232 Base-Backbone interact. energy: -1.364 local terms energy: -820.263085 where: bonds (distance) C4'-P energy: -148.731 bonds (distance) P-C4' energy: -159.283 flat angles C4'-P-C4' energy: -169.299 flat angles P-C4'-P energy: -122.768 tors. eta vs tors. theta energy: -220.181 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: 1 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2461.441017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.441017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.441017 (E_RNA) where: Base-Base interactions energy: -1700.711 where: short stacking energy: -721.802 Base-Backbone interact. energy: -1.786 local terms energy: -758.943609 where: bonds (distance) C4'-P energy: -145.991 bonds (distance) P-C4' energy: -141.977 flat angles C4'-P-C4' energy: -165.265 flat angles P-C4'-P energy: -104.914 tors. eta vs tors. theta energy: -200.797 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: 108 Temperature: 1.000000 Total energy: -2282.603199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.603199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.603199 (E_RNA) where: Base-Base interactions energy: -1522.035 where: short stacking energy: -637.807 Base-Backbone interact. energy: -4.882 local terms energy: -755.685780 where: bonds (distance) C4'-P energy: -132.824 bonds (distance) P-C4' energy: -146.583 flat angles C4'-P-C4' energy: -162.680 flat angles P-C4'-P energy: -123.320 tors. eta vs tors. theta energy: -190.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2108.835623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.835623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.835623 (E_RNA) where: Base-Base interactions energy: -1417.720 where: short stacking energy: -634.702 Base-Backbone interact. energy: -1.467 local terms energy: -689.649096 where: bonds (distance) C4'-P energy: -136.715 bonds (distance) P-C4' energy: -152.470 flat angles C4'-P-C4' energy: -151.433 flat angles P-C4'-P energy: -76.155 tors. eta vs tors. theta energy: -172.876 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: 7 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1990.982216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.982216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.982216 (E_RNA) where: Base-Base interactions energy: -1324.840 where: short stacking energy: -613.289 Base-Backbone interact. energy: 0.086 local terms energy: -666.228020 where: bonds (distance) C4'-P energy: -130.602 bonds (distance) P-C4' energy: -131.064 flat angles C4'-P-C4' energy: -150.922 flat angles P-C4'-P energy: -91.046 tors. eta vs tors. theta energy: -162.593 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: 4 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1819.779703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.779703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.779703 (E_RNA) where: Base-Base interactions energy: -1203.978 where: short stacking energy: -575.092 Base-Backbone interact. energy: 0.340 local terms energy: -616.141700 where: bonds (distance) C4'-P energy: -111.467 bonds (distance) P-C4' energy: -134.639 flat angles C4'-P-C4' energy: -121.550 flat angles P-C4'-P energy: -89.930 tors. eta vs tors. theta energy: -158.554 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: 108 Temperature: 1.200000 Total energy: -1625.959375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.959375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.959375 (E_RNA) where: Base-Base interactions energy: -1065.618 where: short stacking energy: -479.534 Base-Backbone interact. energy: 0.549 local terms energy: -560.890842 where: bonds (distance) C4'-P energy: -128.952 bonds (distance) P-C4' energy: -117.619 flat angles C4'-P-C4' energy: -117.490 flat angles P-C4'-P energy: -82.793 tors. eta vs tors. theta energy: -114.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1395.948184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.948184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.948184 (E_RNA) where: Base-Base interactions energy: -888.722 where: short stacking energy: -393.509 Base-Backbone interact. energy: -3.880 local terms energy: -503.346251 where: bonds (distance) C4'-P energy: -114.285 bonds (distance) P-C4' energy: -123.086 flat angles C4'-P-C4' energy: -121.251 flat angles P-C4'-P energy: -78.607 tors. eta vs tors. theta energy: -66.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1069.504735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.504735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.504735 (E_RNA) where: Base-Base interactions energy: -646.672 where: short stacking energy: -275.059 Base-Backbone interact. energy: 0.847 local terms energy: -423.679560 where: bonds (distance) C4'-P energy: -98.886 bonds (distance) P-C4' energy: -132.907 flat angles C4'-P-C4' energy: -118.026 flat angles P-C4'-P energy: -50.310 tors. eta vs tors. theta energy: -23.551 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: 5 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -864.064540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.064540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.064540 (E_RNA) where: Base-Base interactions energy: -458.146 where: short stacking energy: -263.572 Base-Backbone interact. energy: -1.082 local terms energy: -404.835973 where: bonds (distance) C4'-P energy: -106.648 bonds (distance) P-C4' energy: -115.344 flat angles C4'-P-C4' energy: -114.150 flat angles P-C4'-P energy: -51.367 tors. eta vs tors. theta energy: -17.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2519.803790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.803790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.803790 (E_RNA) where: Base-Base interactions energy: -1702.632 where: short stacking energy: -792.275 Base-Backbone interact. energy: -2.365 local terms energy: -814.806045 where: bonds (distance) C4'-P energy: -138.176 bonds (distance) P-C4' energy: -158.176 flat angles C4'-P-C4' energy: -170.762 flat angles P-C4'-P energy: -113.502 tors. eta vs tors. theta energy: -234.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2475.988317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.988317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.988317 (E_RNA) where: Base-Base interactions energy: -1703.143 where: short stacking energy: -719.199 Base-Backbone interact. energy: -2.555 local terms energy: -770.289799 where: bonds (distance) C4'-P energy: -142.752 bonds (distance) P-C4' energy: -146.548 flat angles C4'-P-C4' energy: -170.244 flat angles P-C4'-P energy: -111.909 tors. eta vs tors. theta energy: -198.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2294.825919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.825919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.825919 (E_RNA) where: Base-Base interactions energy: -1563.346 where: short stacking energy: -668.976 Base-Backbone interact. energy: 0.801 local terms energy: -732.280968 where: bonds (distance) C4'-P energy: -154.042 bonds (distance) P-C4' energy: -132.561 flat angles C4'-P-C4' energy: -162.405 flat angles P-C4'-P energy: -99.333 tors. eta vs tors. theta energy: -183.940 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: 10 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2125.572519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.572519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.572519 (E_RNA) where: Base-Base interactions energy: -1418.284 where: short stacking energy: -616.845 Base-Backbone interact. energy: -5.099 local terms energy: -702.189719 where: bonds (distance) C4'-P energy: -139.804 bonds (distance) P-C4' energy: -133.292 flat angles C4'-P-C4' energy: -163.762 flat angles P-C4'-P energy: -96.571 tors. eta vs tors. theta energy: -168.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2047.852861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.852861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.852861 (E_RNA) where: Base-Base interactions energy: -1373.382 where: short stacking energy: -627.021 Base-Backbone interact. energy: -5.414 local terms energy: -669.057159 where: bonds (distance) C4'-P energy: -131.395 bonds (distance) P-C4' energy: -135.247 flat angles C4'-P-C4' energy: -139.627 flat angles P-C4'-P energy: -102.947 tors. eta vs tors. theta energy: -159.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1903.333662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.333662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.333662 (E_RNA) where: Base-Base interactions energy: -1248.908 where: short stacking energy: -583.792 Base-Backbone interact. energy: -2.294 local terms energy: -652.130999 where: bonds (distance) C4'-P energy: -135.742 bonds (distance) P-C4' energy: -129.258 flat angles C4'-P-C4' energy: -152.475 flat angles P-C4'-P energy: -77.949 tors. eta vs tors. theta energy: -156.707 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: 6 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1611.873146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.873146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.873146 (E_RNA) where: Base-Base interactions energy: -1040.289 where: short stacking energy: -459.474 Base-Backbone interact. energy: 2.366 local terms energy: -573.949736 where: bonds (distance) C4'-P energy: -118.777 bonds (distance) P-C4' energy: -130.114 flat angles C4'-P-C4' energy: -143.343 flat angles P-C4'-P energy: -80.602 tors. eta vs tors. theta energy: -101.114 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: 9 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1396.222006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.222006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.222006 (E_RNA) where: Base-Base interactions energy: -901.390 where: short stacking energy: -397.453 Base-Backbone interact. energy: 0.286 local terms energy: -495.118600 where: bonds (distance) C4'-P energy: -110.475 bonds (distance) P-C4' energy: -136.106 flat angles C4'-P-C4' energy: -128.211 flat angles P-C4'-P energy: -58.718 tors. eta vs tors. theta energy: -61.608 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: 2 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1079.102238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.102238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.102238 (E_RNA) where: Base-Base interactions energy: -653.344 where: short stacking energy: -345.413 Base-Backbone interact. energy: -0.184 local terms energy: -425.574829 where: bonds (distance) C4'-P energy: -103.190 bonds (distance) P-C4' energy: -132.309 flat angles C4'-P-C4' energy: -87.972 flat angles P-C4'-P energy: -67.339 tors. eta vs tors. theta energy: -34.764 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: 5 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -799.561494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.561494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.561494 (E_RNA) where: Base-Base interactions energy: -384.195 where: short stacking energy: -213.928 Base-Backbone interact. energy: 0.587 local terms energy: -415.953484 where: bonds (distance) C4'-P energy: -113.673 bonds (distance) P-C4' energy: -138.283 flat angles C4'-P-C4' energy: -100.292 flat angles P-C4'-P energy: -72.307 tors. eta vs tors. theta energy: 8.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2494.055697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.055697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.055697 (E_RNA) where: Base-Base interactions energy: -1675.323 where: short stacking energy: -772.962 Base-Backbone interact. energy: -4.042 local terms energy: -814.691167 where: bonds (distance) C4'-P energy: -148.204 bonds (distance) P-C4' energy: -160.192 flat angles C4'-P-C4' energy: -164.801 flat angles P-C4'-P energy: -119.242 tors. eta vs tors. theta energy: -222.251 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: 1 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2493.899776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.899776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.899776 (E_RNA) where: Base-Base interactions energy: -1709.155 where: short stacking energy: -714.431 Base-Backbone interact. energy: -3.689 local terms energy: -781.054956 where: bonds (distance) C4'-P energy: -146.255 bonds (distance) P-C4' energy: -147.477 flat angles C4'-P-C4' energy: -178.175 flat angles P-C4'-P energy: -105.637 tors. eta vs tors. theta energy: -203.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2283.446811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.446811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.446811 (E_RNA) where: Base-Base interactions energy: -1550.576 where: short stacking energy: -675.574 Base-Backbone interact. energy: -0.750 local terms energy: -732.121302 where: bonds (distance) C4'-P energy: -139.057 bonds (distance) P-C4' energy: -144.298 flat angles C4'-P-C4' energy: -159.280 flat angles P-C4'-P energy: -110.690 tors. eta vs tors. theta energy: -178.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2194.628156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.628156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.628156 (E_RNA) where: Base-Base interactions energy: -1484.565 where: short stacking energy: -647.206 Base-Backbone interact. energy: -0.708 local terms energy: -709.355489 where: bonds (distance) C4'-P energy: -135.320 bonds (distance) P-C4' energy: -145.359 flat angles C4'-P-C4' energy: -161.417 flat angles P-C4'-P energy: -91.810 tors. eta vs tors. theta energy: -175.450 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: 110 Temperature: 1.100000 Total energy: -2031.953614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.953614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.953614 (E_RNA) where: Base-Base interactions energy: -1345.470 where: short stacking energy: -597.555 Base-Backbone interact. energy: 1.458 local terms energy: -687.941614 where: bonds (distance) C4'-P energy: -129.055 bonds (distance) P-C4' energy: -139.093 flat angles C4'-P-C4' energy: -152.964 flat angles P-C4'-P energy: -98.305 tors. eta vs tors. theta energy: -168.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1863.269472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.269472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.269472 (E_RNA) where: Base-Base interactions energy: -1211.885 where: short stacking energy: -563.438 Base-Backbone interact. energy: 4.537 local terms energy: -655.920710 where: bonds (distance) C4'-P energy: -126.251 bonds (distance) P-C4' energy: -136.075 flat angles C4'-P-C4' energy: -145.549 flat angles P-C4'-P energy: -77.578 tors. eta vs tors. theta energy: -170.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1594.543494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.543494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.543494 (E_RNA) where: Base-Base interactions energy: -1048.518 where: short stacking energy: -452.228 Base-Backbone interact. energy: 2.300 local terms energy: -548.325275 where: bonds (distance) C4'-P energy: -124.799 bonds (distance) P-C4' energy: -130.222 flat angles C4'-P-C4' energy: -122.799 flat angles P-C4'-P energy: -73.168 tors. eta vs tors. theta energy: -97.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1321.720069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.720069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.720069 (E_RNA) where: Base-Base interactions energy: -808.211 where: short stacking energy: -363.611 Base-Backbone interact. energy: -1.102 local terms energy: -512.407348 where: bonds (distance) C4'-P energy: -110.507 bonds (distance) P-C4' energy: -145.764 flat angles C4'-P-C4' energy: -121.177 flat angles P-C4'-P energy: -80.783 tors. eta vs tors. theta energy: -54.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1077.888613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.888613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.888613 (E_RNA) where: Base-Base interactions energy: -616.930 where: short stacking energy: -317.001 Base-Backbone interact. energy: 0.260 local terms energy: -461.218758 where: bonds (distance) C4'-P energy: -113.320 bonds (distance) P-C4' energy: -127.081 flat angles C4'-P-C4' energy: -108.485 flat angles P-C4'-P energy: -70.341 tors. eta vs tors. theta energy: -41.992 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: 5 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -816.017043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.017043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.017043 (E_RNA) where: Base-Base interactions energy: -412.994 where: short stacking energy: -211.035 Base-Backbone interact. energy: 3.240 local terms energy: -406.262650 where: bonds (distance) C4'-P energy: -120.112 bonds (distance) P-C4' energy: -128.213 flat angles C4'-P-C4' energy: -108.321 flat angles P-C4'-P energy: -60.103 tors. eta vs tors. theta energy: 10.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2488.942041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.942041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.942041 (E_RNA) where: Base-Base interactions energy: -1678.549 where: short stacking energy: -753.783 Base-Backbone interact. energy: 0.433 local terms energy: -810.825809 where: bonds (distance) C4'-P energy: -151.009 bonds (distance) P-C4' energy: -154.111 flat angles C4'-P-C4' energy: -176.704 flat angles P-C4'-P energy: -103.437 tors. eta vs tors. theta energy: -225.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2458.441720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.441720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.441720 (E_RNA) where: Base-Base interactions energy: -1699.969 where: short stacking energy: -740.237 Base-Backbone interact. energy: -4.906 local terms energy: -753.566739 where: bonds (distance) C4'-P energy: -136.499 bonds (distance) P-C4' energy: -125.343 flat angles C4'-P-C4' energy: -172.591 flat angles P-C4'-P energy: -113.102 tors. eta vs tors. theta energy: -206.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2306.177461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.177461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.177461 (E_RNA) where: Base-Base interactions energy: -1577.904 where: short stacking energy: -676.505 Base-Backbone interact. energy: -2.964 local terms energy: -725.310269 where: bonds (distance) C4'-P energy: -123.911 bonds (distance) P-C4' energy: -134.477 flat angles C4'-P-C4' energy: -158.135 flat angles P-C4'-P energy: -113.631 tors. eta vs tors. theta energy: -195.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2199.555652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.555652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.555652 (E_RNA) where: Base-Base interactions energy: -1487.426 where: short stacking energy: -642.870 Base-Backbone interact. energy: 2.676 local terms energy: -714.804937 where: bonds (distance) C4'-P energy: -128.128 bonds (distance) P-C4' energy: -130.361 flat angles C4'-P-C4' energy: -154.915 flat angles P-C4'-P energy: -112.543 tors. eta vs tors. theta energy: -188.858 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: 111 Temperature: 1.100000 Total energy: -2022.718407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.718407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.718407 (E_RNA) where: Base-Base interactions energy: -1356.980 where: short stacking energy: -605.235 Base-Backbone interact. energy: 1.278 local terms energy: -667.015883 where: bonds (distance) C4'-P energy: -139.089 bonds (distance) P-C4' energy: -124.551 flat angles C4'-P-C4' energy: -150.578 flat angles P-C4'-P energy: -84.482 tors. eta vs tors. theta energy: -168.316 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: 4 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1911.334625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.334625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.334625 (E_RNA) where: Base-Base interactions energy: -1267.079 where: short stacking energy: -566.240 Base-Backbone interact. energy: -1.381 local terms energy: -642.875025 where: bonds (distance) C4'-P energy: -127.000 bonds (distance) P-C4' energy: -137.796 flat angles C4'-P-C4' energy: -138.885 flat angles P-C4'-P energy: -89.024 tors. eta vs tors. theta energy: -150.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1589.905590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.905590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.905590 (E_RNA) where: Base-Base interactions energy: -1028.072 where: short stacking energy: -461.360 Base-Backbone interact. energy: 2.125 local terms energy: -563.959256 where: bonds (distance) C4'-P energy: -122.584 bonds (distance) P-C4' energy: -129.801 flat angles C4'-P-C4' energy: -119.657 flat angles P-C4'-P energy: -96.254 tors. eta vs tors. theta energy: -95.663 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: 9 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1314.984760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.984760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.984760 (E_RNA) where: Base-Base interactions energy: -821.480 where: short stacking energy: -357.907 Base-Backbone interact. energy: -2.212 local terms energy: -491.293010 where: bonds (distance) C4'-P energy: -118.441 bonds (distance) P-C4' energy: -126.801 flat angles C4'-P-C4' energy: -112.610 flat angles P-C4'-P energy: -87.250 tors. eta vs tors. theta energy: -46.190 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: 2 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1145.372474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.372474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.372474 (E_RNA) where: Base-Base interactions energy: -666.088 where: short stacking energy: -308.127 Base-Backbone interact. energy: 1.837 local terms energy: -481.121577 where: bonds (distance) C4'-P energy: -124.109 bonds (distance) P-C4' energy: -137.204 flat angles C4'-P-C4' energy: -129.915 flat angles P-C4'-P energy: -56.618 tors. eta vs tors. theta energy: -33.276 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: 10, replica: 5 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -827.231265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.231265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.231265 (E_RNA) where: Base-Base interactions energy: -408.245 where: short stacking energy: -247.056 Base-Backbone interact. energy: -3.558 local terms energy: -415.428638 where: bonds (distance) C4'-P energy: -111.608 bonds (distance) P-C4' energy: -121.489 flat angles C4'-P-C4' energy: -102.182 flat angles P-C4'-P energy: -83.167 tors. eta vs tors. theta energy: 3.017 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: 1, replica: 8 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2510.868614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.868614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.868614 (E_RNA) where: Base-Base interactions energy: -1697.530 where: short stacking energy: -741.223 Base-Backbone interact. energy: -1.316 local terms energy: -812.022238 where: bonds (distance) C4'-P energy: -144.828 bonds (distance) P-C4' energy: -158.681 flat angles C4'-P-C4' energy: -180.069 flat angles P-C4'-P energy: -111.433 tors. eta vs tors. theta energy: -217.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2451.492359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.492359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.492359 (E_RNA) where: Base-Base interactions energy: -1684.973 where: short stacking energy: -756.949 Base-Backbone interact. energy: -4.988 local terms energy: -761.531913 where: bonds (distance) C4'-P energy: -133.204 bonds (distance) P-C4' energy: -148.841 flat angles C4'-P-C4' energy: -167.994 flat angles P-C4'-P energy: -108.224 tors. eta vs tors. theta energy: -203.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2261.669121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.669121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.669121 (E_RNA) where: Base-Base interactions energy: -1534.948 where: short stacking energy: -659.439 Base-Backbone interact. energy: -2.660 local terms energy: -724.061129 where: bonds (distance) C4'-P energy: -129.548 bonds (distance) P-C4' energy: -145.516 flat angles C4'-P-C4' energy: -150.908 flat angles P-C4'-P energy: -100.648 tors. eta vs tors. theta energy: -197.442 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: 10 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2160.712328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.712328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.712328 (E_RNA) where: Base-Base interactions energy: -1453.249 where: short stacking energy: -657.900 Base-Backbone interact. energy: -2.472 local terms energy: -704.991128 where: bonds (distance) C4'-P energy: -136.569 bonds (distance) P-C4' energy: -137.426 flat angles C4'-P-C4' energy: -152.484 flat angles P-C4'-P energy: -93.500 tors. eta vs tors. theta energy: -185.012 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: 7 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2050.414409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.414409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.414409 (E_RNA) where: Base-Base interactions energy: -1353.416 where: short stacking energy: -599.034 Base-Backbone interact. energy: -0.865 local terms energy: -696.133519 where: bonds (distance) C4'-P energy: -141.613 bonds (distance) P-C4' energy: -136.159 flat angles C4'-P-C4' energy: -146.654 flat angles P-C4'-P energy: -98.739 tors. eta vs tors. theta energy: -172.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1946.843772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.843772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.843772 (E_RNA) where: Base-Base interactions energy: -1265.744 where: short stacking energy: -584.182 Base-Backbone interact. energy: -0.863 local terms energy: -680.237070 where: bonds (distance) C4'-P energy: -132.352 bonds (distance) P-C4' energy: -139.858 flat angles C4'-P-C4' energy: -146.256 flat angles P-C4'-P energy: -108.775 tors. eta vs tors. theta energy: -152.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1625.767476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.767476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.767476 (E_RNA) where: Base-Base interactions energy: -1078.036 where: short stacking energy: -472.940 Base-Backbone interact. energy: -2.519 local terms energy: -545.212613 where: bonds (distance) C4'-P energy: -125.523 bonds (distance) P-C4' energy: -126.193 flat angles C4'-P-C4' energy: -133.438 flat angles P-C4'-P energy: -61.002 tors. eta vs tors. theta energy: -99.057 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: 9 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1367.946482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.946482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.946482 (E_RNA) where: Base-Base interactions energy: -868.828 where: short stacking energy: -409.347 Base-Backbone interact. energy: 5.819 local terms energy: -504.937477 where: bonds (distance) C4'-P energy: -119.622 bonds (distance) P-C4' energy: -118.880 flat angles C4'-P-C4' energy: -115.620 flat angles P-C4'-P energy: -77.871 tors. eta vs tors. theta energy: -72.944 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: 2 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1086.028221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.028221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.028221 (E_RNA) where: Base-Base interactions energy: -620.798 where: short stacking energy: -321.437 Base-Backbone interact. energy: -2.852 local terms energy: -462.377975 where: bonds (distance) C4'-P energy: -114.588 bonds (distance) P-C4' energy: -109.907 flat angles C4'-P-C4' energy: -117.129 flat angles P-C4'-P energy: -77.886 tors. eta vs tors. theta energy: -42.869 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: 5 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -826.885221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.885221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.885221 (E_RNA) where: Base-Base interactions energy: -426.158 where: short stacking energy: -243.556 Base-Backbone interact. energy: -1.658 local terms energy: -399.068818 where: bonds (distance) C4'-P energy: -117.170 bonds (distance) P-C4' energy: -120.838 flat angles C4'-P-C4' energy: -83.167 flat angles P-C4'-P energy: -71.075 tors. eta vs tors. theta energy: -6.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2507.528129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.528129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.528129 (E_RNA) where: Base-Base interactions energy: -1707.393 where: short stacking energy: -784.845 Base-Backbone interact. energy: -3.933 local terms energy: -796.201461 where: bonds (distance) C4'-P energy: -145.191 bonds (distance) P-C4' energy: -141.448 flat angles C4'-P-C4' energy: -167.701 flat angles P-C4'-P energy: -116.644 tors. eta vs tors. theta energy: -225.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2448.345805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.345805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.345805 (E_RNA) where: Base-Base interactions energy: -1686.154 where: short stacking energy: -702.446 Base-Backbone interact. energy: -7.033 local terms energy: -755.159394 where: bonds (distance) C4'-P energy: -129.306 bonds (distance) P-C4' energy: -150.932 flat angles C4'-P-C4' energy: -172.420 flat angles P-C4'-P energy: -105.017 tors. eta vs tors. theta energy: -197.484 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: 3 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2264.170958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.170958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.170958 (E_RNA) where: Base-Base interactions energy: -1499.599 where: short stacking energy: -668.215 Base-Backbone interact. energy: -4.445 local terms energy: -760.127277 where: bonds (distance) C4'-P energy: -133.231 bonds (distance) P-C4' energy: -155.767 flat angles C4'-P-C4' energy: -162.955 flat angles P-C4'-P energy: -102.934 tors. eta vs tors. theta energy: -205.240 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: 10 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2119.907586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.907586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.907586 (E_RNA) where: Base-Base interactions energy: -1404.322 where: short stacking energy: -637.251 Base-Backbone interact. energy: -3.336 local terms energy: -712.250336 where: bonds (distance) C4'-P energy: -111.657 bonds (distance) P-C4' energy: -139.175 flat angles C4'-P-C4' energy: -166.855 flat angles P-C4'-P energy: -111.993 tors. eta vs tors. theta energy: -182.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2039.176185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.176185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.176185 (E_RNA) where: Base-Base interactions energy: -1358.168 where: short stacking energy: -625.906 Base-Backbone interact. energy: 1.352 local terms energy: -682.359849 where: bonds (distance) C4'-P energy: -136.437 bonds (distance) P-C4' energy: -129.286 flat angles C4'-P-C4' energy: -151.907 flat angles P-C4'-P energy: -88.499 tors. eta vs tors. theta energy: -176.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1922.171077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.171077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.171077 (E_RNA) where: Base-Base interactions energy: -1270.620 where: short stacking energy: -563.781 Base-Backbone interact. energy: -3.833 local terms energy: -647.717495 where: bonds (distance) C4'-P energy: -132.122 bonds (distance) P-C4' energy: -128.926 flat angles C4'-P-C4' energy: -149.387 flat angles P-C4'-P energy: -79.934 tors. eta vs tors. theta energy: -157.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1664.575522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.575522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.575522 (E_RNA) where: Base-Base interactions energy: -1107.172 where: short stacking energy: -505.187 Base-Backbone interact. energy: -0.261 local terms energy: -557.141901 where: bonds (distance) C4'-P energy: -122.419 bonds (distance) P-C4' energy: -122.893 flat angles C4'-P-C4' energy: -119.937 flat angles P-C4'-P energy: -75.750 tors. eta vs tors. theta energy: -116.143 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: 8, replica: 9 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1377.864504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.864504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.864504 (E_RNA) where: Base-Base interactions energy: -868.165 where: short stacking energy: -406.107 Base-Backbone interact. energy: 1.952 local terms energy: -511.651764 where: bonds (distance) C4'-P energy: -119.322 bonds (distance) P-C4' energy: -129.052 flat angles C4'-P-C4' energy: -111.769 flat angles P-C4'-P energy: -82.370 tors. eta vs tors. theta energy: -69.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1099.137802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.137802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.137802 (E_RNA) where: Base-Base interactions energy: -618.868 where: short stacking energy: -317.018 Base-Backbone interact. energy: 3.430 local terms energy: -483.699921 where: bonds (distance) C4'-P energy: -114.053 bonds (distance) P-C4' energy: -139.182 flat angles C4'-P-C4' energy: -115.748 flat angles P-C4'-P energy: -63.408 tors. eta vs tors. theta energy: -51.309 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: 5 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -887.220422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.220422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.220422 (E_RNA) where: Base-Base interactions energy: -482.203 where: short stacking energy: -209.081 Base-Backbone interact. energy: 0.579 local terms energy: -405.596324 where: bonds (distance) C4'-P energy: -118.432 bonds (distance) P-C4' energy: -117.678 flat angles C4'-P-C4' energy: -92.527 flat angles P-C4'-P energy: -72.022 tors. eta vs tors. theta energy: -4.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2523.572955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.572955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.572955 (E_RNA) where: Base-Base interactions energy: -1739.391 where: short stacking energy: -746.140 Base-Backbone interact. energy: -2.758 local terms energy: -781.423759 where: bonds (distance) C4'-P energy: -134.027 bonds (distance) P-C4' energy: -152.391 flat angles C4'-P-C4' energy: -167.020 flat angles P-C4'-P energy: -114.544 tors. eta vs tors. theta energy: -213.443 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: 8 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2452.075271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.075271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.075271 (E_RNA) where: Base-Base interactions energy: -1662.602 where: short stacking energy: -741.099 Base-Backbone interact. energy: -0.987 local terms energy: -788.486104 where: bonds (distance) C4'-P energy: -155.597 bonds (distance) P-C4' energy: -137.846 flat angles C4'-P-C4' energy: -167.051 flat angles P-C4'-P energy: -109.573 tors. eta vs tors. theta energy: -218.420 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: 114 Temperature: 1.000000 Total energy: -2327.093527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.093527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.093527 (E_RNA) where: Base-Base interactions energy: -1575.589 where: short stacking energy: -688.771 Base-Backbone interact. energy: -1.185 local terms energy: -750.319117 where: bonds (distance) C4'-P energy: -131.609 bonds (distance) P-C4' energy: -140.343 flat angles C4'-P-C4' energy: -163.531 flat angles P-C4'-P energy: -111.349 tors. eta vs tors. theta energy: -203.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2129.742148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.742148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.742148 (E_RNA) where: Base-Base interactions energy: -1446.727 where: short stacking energy: -656.676 Base-Backbone interact. energy: -4.419 local terms energy: -678.596141 where: bonds (distance) C4'-P energy: -122.703 bonds (distance) P-C4' energy: -132.123 flat angles C4'-P-C4' energy: -151.158 flat angles P-C4'-P energy: -100.673 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: 4 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2043.278215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.278215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.278215 (E_RNA) where: Base-Base interactions energy: -1349.321 where: short stacking energy: -624.978 Base-Backbone interact. energy: 1.113 local terms energy: -695.070400 where: bonds (distance) C4'-P energy: -129.006 bonds (distance) P-C4' energy: -140.044 flat angles C4'-P-C4' energy: -157.051 flat angles P-C4'-P energy: -92.393 tors. eta vs tors. theta energy: -176.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -2006.944101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.944101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.944101 (E_RNA) where: Base-Base interactions energy: -1340.710 where: short stacking energy: -597.370 Base-Backbone interact. energy: 2.915 local terms energy: -669.148677 where: bonds (distance) C4'-P energy: -117.943 bonds (distance) P-C4' energy: -137.090 flat angles C4'-P-C4' energy: -147.883 flat angles P-C4'-P energy: -98.657 tors. eta vs tors. theta energy: -167.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1657.882029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.882029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.882029 (E_RNA) where: Base-Base interactions energy: -1076.124 where: short stacking energy: -493.633 Base-Backbone interact. energy: 2.534 local terms energy: -584.291233 where: bonds (distance) C4'-P energy: -126.956 bonds (distance) P-C4' energy: -127.268 flat angles C4'-P-C4' energy: -115.493 flat angles P-C4'-P energy: -97.646 tors. eta vs tors. theta energy: -116.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1409.952077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.952077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.952077 (E_RNA) where: Base-Base interactions energy: -888.237 where: short stacking energy: -400.378 Base-Backbone interact. energy: 0.487 local terms energy: -522.202694 where: bonds (distance) C4'-P energy: -123.158 bonds (distance) P-C4' energy: -114.003 flat angles C4'-P-C4' energy: -137.181 flat angles P-C4'-P energy: -83.876 tors. eta vs tors. theta energy: -63.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1105.832480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.832480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.832480 (E_RNA) where: Base-Base interactions energy: -682.470 where: short stacking energy: -331.566 Base-Backbone interact. energy: -0.452 local terms energy: -422.910961 where: bonds (distance) C4'-P energy: -71.688 bonds (distance) P-C4' energy: -119.227 flat angles C4'-P-C4' energy: -123.914 flat angles P-C4'-P energy: -70.011 tors. eta vs tors. theta energy: -38.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -856.704155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.704155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.704155 (E_RNA) where: Base-Base interactions energy: -451.932 where: short stacking energy: -238.356 Base-Backbone interact. energy: 1.576 local terms energy: -406.347843 where: bonds (distance) C4'-P energy: -108.016 bonds (distance) P-C4' energy: -134.243 flat angles C4'-P-C4' energy: -116.340 flat angles P-C4'-P energy: -54.355 tors. eta vs tors. theta energy: 6.606 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: 1, replica: 1 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2560.075204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.075204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.075204 (E_RNA) where: Base-Base interactions energy: -1769.341 where: short stacking energy: -738.752 Base-Backbone interact. energy: -4.249 local terms energy: -786.485494 where: bonds (distance) C4'-P energy: -141.485 bonds (distance) P-C4' energy: -135.710 flat angles C4'-P-C4' energy: -166.585 flat angles P-C4'-P energy: -126.469 tors. eta vs tors. theta energy: -216.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2470.514081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.514081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.514081 (E_RNA) where: Base-Base interactions energy: -1652.704 where: short stacking energy: -735.454 Base-Backbone interact. energy: -3.509 local terms energy: -814.300705 where: bonds (distance) C4'-P energy: -151.368 bonds (distance) P-C4' energy: -158.425 flat angles C4'-P-C4' energy: -162.185 flat angles P-C4'-P energy: -124.895 tors. eta vs tors. theta energy: -217.428 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: 115 Temperature: 1.000000 Total energy: -2305.664014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.664014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.664014 (E_RNA) where: Base-Base interactions energy: -1560.006 where: short stacking energy: -691.929 Base-Backbone interact. energy: 2.268 local terms energy: -747.925258 where: bonds (distance) C4'-P energy: -140.652 bonds (distance) P-C4' energy: -146.507 flat angles C4'-P-C4' energy: -169.098 flat angles P-C4'-P energy: -97.459 tors. eta vs tors. theta energy: -194.210 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: 4 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2183.400933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.400933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.400933 (E_RNA) where: Base-Base interactions energy: -1472.108 where: short stacking energy: -671.726 Base-Backbone interact. energy: -5.652 local terms energy: -705.641377 where: bonds (distance) C4'-P energy: -123.524 bonds (distance) P-C4' energy: -136.744 flat angles C4'-P-C4' energy: -150.451 flat angles P-C4'-P energy: -105.089 tors. eta vs tors. theta energy: -189.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2088.289905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.289905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.289905 (E_RNA) where: Base-Base interactions energy: -1372.788 where: short stacking energy: -586.931 Base-Backbone interact. energy: 0.986 local terms energy: -716.487703 where: bonds (distance) C4'-P energy: -141.001 bonds (distance) P-C4' energy: -141.717 flat angles C4'-P-C4' energy: -164.797 flat angles P-C4'-P energy: -103.636 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: 6, replica: 7 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1973.240471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.240471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.240471 (E_RNA) where: Base-Base interactions energy: -1325.226 where: short stacking energy: -600.057 Base-Backbone interact. energy: -2.371 local terms energy: -645.642989 where: bonds (distance) C4'-P energy: -121.896 bonds (distance) P-C4' energy: -120.856 flat angles C4'-P-C4' energy: -151.772 flat angles P-C4'-P energy: -92.219 tors. eta vs tors. theta energy: -158.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1598.542901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.542901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.542901 (E_RNA) where: Base-Base interactions energy: -1014.611 where: short stacking energy: -461.595 Base-Backbone interact. energy: -1.278 local terms energy: -582.654116 where: bonds (distance) C4'-P energy: -131.335 bonds (distance) P-C4' energy: -136.895 flat angles C4'-P-C4' energy: -136.697 flat angles P-C4'-P energy: -84.864 tors. eta vs tors. theta energy: -92.862 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: 9 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1390.110549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.110549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.110549 (E_RNA) where: Base-Base interactions energy: -867.792 where: short stacking energy: -390.670 Base-Backbone interact. energy: -2.110 local terms energy: -520.208144 where: bonds (distance) C4'-P energy: -140.802 bonds (distance) P-C4' energy: -117.971 flat angles C4'-P-C4' energy: -113.636 flat angles P-C4'-P energy: -76.699 tors. eta vs tors. theta energy: -71.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1154.007646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.007646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.007646 (E_RNA) where: Base-Base interactions energy: -667.296 where: short stacking energy: -319.605 Base-Backbone interact. energy: -0.829 local terms energy: -485.882735 where: bonds (distance) C4'-P energy: -115.196 bonds (distance) P-C4' energy: -139.534 flat angles C4'-P-C4' energy: -126.533 flat angles P-C4'-P energy: -60.184 tors. eta vs tors. theta energy: -44.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -833.641460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.641460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.641460 (E_RNA) where: Base-Base interactions energy: -451.494 where: short stacking energy: -227.689 Base-Backbone interact. energy: 1.107 local terms energy: -383.254329 where: bonds (distance) C4'-P energy: -117.159 bonds (distance) P-C4' energy: -120.182 flat angles C4'-P-C4' energy: -102.024 flat angles P-C4'-P energy: -55.414 tors. eta vs tors. theta energy: 11.524 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: 1, replica: 1 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2581.543604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.543604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.543604 (E_RNA) where: Base-Base interactions energy: -1806.866 where: short stacking energy: -749.065 Base-Backbone interact. energy: -3.884 local terms energy: -770.794399 where: bonds (distance) C4'-P energy: -146.211 bonds (distance) P-C4' energy: -130.231 flat angles C4'-P-C4' energy: -156.300 flat angles P-C4'-P energy: -129.466 tors. eta vs tors. theta energy: -208.587 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: 8 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2462.703267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.703267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.703267 (E_RNA) where: Base-Base interactions energy: -1671.096 where: short stacking energy: -743.723 Base-Backbone interact. energy: -1.935 local terms energy: -789.672633 where: bonds (distance) C4'-P energy: -124.206 bonds (distance) P-C4' energy: -156.698 flat angles C4'-P-C4' energy: -173.462 flat angles P-C4'-P energy: -118.110 tors. eta vs tors. theta energy: -217.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2273.033913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.033913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.033913 (E_RNA) where: Base-Base interactions energy: -1543.305 where: short stacking energy: -681.565 Base-Backbone interact. energy: -1.964 local terms energy: -727.765102 where: bonds (distance) C4'-P energy: -129.594 bonds (distance) P-C4' energy: -146.470 flat angles C4'-P-C4' energy: -173.372 flat angles P-C4'-P energy: -87.290 tors. eta vs tors. theta energy: -191.039 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: 4, replica: 3 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2231.557611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.557611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.557611 (E_RNA) where: Base-Base interactions energy: -1515.369 where: short stacking energy: -647.686 Base-Backbone interact. energy: -4.275 local terms energy: -711.913610 where: bonds (distance) C4'-P energy: -122.340 bonds (distance) P-C4' energy: -125.608 flat angles C4'-P-C4' energy: -156.484 flat angles P-C4'-P energy: -117.169 tors. eta vs tors. theta energy: -190.312 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: 10 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2042.250867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.250867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.250867 (E_RNA) where: Base-Base interactions energy: -1375.593 where: short stacking energy: -617.712 Base-Backbone interact. energy: 3.195 local terms energy: -669.853281 where: bonds (distance) C4'-P energy: -143.579 bonds (distance) P-C4' energy: -125.735 flat angles C4'-P-C4' energy: -149.727 flat angles P-C4'-P energy: -93.772 tors. eta vs tors. theta energy: -157.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1962.326366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.326366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.326366 (E_RNA) where: Base-Base interactions energy: -1320.763 where: short stacking energy: -574.971 Base-Backbone interact. energy: -2.275 local terms energy: -639.288469 where: bonds (distance) C4'-P energy: -124.363 bonds (distance) P-C4' energy: -114.871 flat angles C4'-P-C4' energy: -166.288 flat angles P-C4'-P energy: -79.624 tors. eta vs tors. theta energy: -154.143 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: 6 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1654.269384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.269384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.269384 (E_RNA) where: Base-Base interactions energy: -1080.140 where: short stacking energy: -483.243 Base-Backbone interact. energy: -2.833 local terms energy: -571.296459 where: bonds (distance) C4'-P energy: -119.529 bonds (distance) P-C4' energy: -133.381 flat angles C4'-P-C4' energy: -128.615 flat angles P-C4'-P energy: -78.369 tors. eta vs tors. theta energy: -111.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1445.481619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.481619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.481619 (E_RNA) where: Base-Base interactions energy: -930.078 where: short stacking energy: -407.791 Base-Backbone interact. energy: 3.334 local terms energy: -518.737725 where: bonds (distance) C4'-P energy: -100.374 bonds (distance) P-C4' energy: -138.167 flat angles C4'-P-C4' energy: -134.619 flat angles P-C4'-P energy: -71.791 tors. eta vs tors. theta energy: -73.787 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: 9, replica: 2 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1093.916982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.916982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.916982 (E_RNA) where: Base-Base interactions energy: -661.250 where: short stacking energy: -314.201 Base-Backbone interact. energy: -1.024 local terms energy: -431.642626 where: bonds (distance) C4'-P energy: -84.606 bonds (distance) P-C4' energy: -113.574 flat angles C4'-P-C4' energy: -127.205 flat angles P-C4'-P energy: -69.292 tors. eta vs tors. theta energy: -36.965 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: 5 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -885.735996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.735996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.735996 (E_RNA) where: Base-Base interactions energy: -477.689 where: short stacking energy: -236.900 Base-Backbone interact. energy: -1.004 local terms energy: -407.043630 where: bonds (distance) C4'-P energy: -126.300 bonds (distance) P-C4' energy: -123.703 flat angles C4'-P-C4' energy: -82.463 flat angles P-C4'-P energy: -60.784 tors. eta vs tors. theta energy: -13.793 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: 1 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2612.840012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.840012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.840012 (E_RNA) where: Base-Base interactions energy: -1822.834 where: short stacking energy: -735.915 Base-Backbone interact. energy: -2.153 local terms energy: -787.852742 where: bonds (distance) C4'-P energy: -132.349 bonds (distance) P-C4' energy: -146.520 flat angles C4'-P-C4' energy: -167.814 flat angles P-C4'-P energy: -119.566 tors. eta vs tors. theta energy: -221.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2457.598143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.598143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.598143 (E_RNA) where: Base-Base interactions energy: -1690.289 where: short stacking energy: -764.296 Base-Backbone interact. energy: -2.118 local terms energy: -765.191934 where: bonds (distance) C4'-P energy: -139.737 bonds (distance) P-C4' energy: -148.122 flat angles C4'-P-C4' energy: -155.091 flat angles P-C4'-P energy: -103.475 tors. eta vs tors. theta energy: -218.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2307.885398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.885398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.885398 (E_RNA) where: Base-Base interactions energy: -1572.603 where: short stacking energy: -695.448 Base-Backbone interact. energy: -3.151 local terms energy: -732.131545 where: bonds (distance) C4'-P energy: -145.705 bonds (distance) P-C4' energy: -138.914 flat angles C4'-P-C4' energy: -160.646 flat angles P-C4'-P energy: -85.718 tors. eta vs tors. theta energy: -201.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2197.680105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.680105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.680105 (E_RNA) where: Base-Base interactions energy: -1473.690 where: short stacking energy: -649.038 Base-Backbone interact. energy: -2.423 local terms energy: -721.566345 where: bonds (distance) C4'-P energy: -144.707 bonds (distance) P-C4' energy: -139.870 flat angles C4'-P-C4' energy: -152.906 flat angles P-C4'-P energy: -102.307 tors. eta vs tors. theta energy: -181.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2074.769581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.769581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.769581 (E_RNA) where: Base-Base interactions energy: -1400.698 where: short stacking energy: -615.201 Base-Backbone interact. energy: -2.346 local terms energy: -671.725169 where: bonds (distance) C4'-P energy: -119.277 bonds (distance) P-C4' energy: -145.151 flat angles C4'-P-C4' energy: -140.542 flat angles P-C4'-P energy: -95.140 tors. eta vs tors. theta energy: -171.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1999.344625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.344625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.344625 (E_RNA) where: Base-Base interactions energy: -1346.636 where: short stacking energy: -605.393 Base-Backbone interact. energy: 1.413 local terms energy: -654.121273 where: bonds (distance) C4'-P energy: -123.040 bonds (distance) P-C4' energy: -135.735 flat angles C4'-P-C4' energy: -147.971 flat angles P-C4'-P energy: -82.184 tors. eta vs tors. theta energy: -165.192 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: 6 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1692.247495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.247495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.247495 (E_RNA) where: Base-Base interactions energy: -1089.005 where: short stacking energy: -486.551 Base-Backbone interact. energy: -0.636 local terms energy: -602.606487 where: bonds (distance) C4'-P energy: -117.150 bonds (distance) P-C4' energy: -132.791 flat angles C4'-P-C4' energy: -153.236 flat angles P-C4'-P energy: -86.227 tors. eta vs tors. theta energy: -113.202 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: 9 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1393.287672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.287672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.287672 (E_RNA) where: Base-Base interactions energy: -891.600 where: short stacking energy: -417.247 Base-Backbone interact. energy: 3.294 local terms energy: -504.981328 where: bonds (distance) C4'-P energy: -115.511 bonds (distance) P-C4' energy: -110.013 flat angles C4'-P-C4' energy: -119.487 flat angles P-C4'-P energy: -92.202 tors. eta vs tors. theta energy: -67.768 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: 2 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1194.040298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.040298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.040298 (E_RNA) where: Base-Base interactions energy: -726.318 where: short stacking energy: -354.554 Base-Backbone interact. energy: 6.202 local terms energy: -473.924602 where: bonds (distance) C4'-P energy: -140.171 bonds (distance) P-C4' energy: -115.529 flat angles C4'-P-C4' energy: -105.468 flat angles P-C4'-P energy: -69.553 tors. eta vs tors. theta energy: -43.205 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: 5 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -863.738620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.738620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.738620 (E_RNA) where: Base-Base interactions energy: -460.902 where: short stacking energy: -234.735 Base-Backbone interact. energy: -1.763 local terms energy: -401.072976 where: bonds (distance) C4'-P energy: -104.356 bonds (distance) P-C4' energy: -128.717 flat angles C4'-P-C4' energy: -95.075 flat angles P-C4'-P energy: -71.842 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: 1 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2610.558414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.558414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.558414 (E_RNA) where: Base-Base interactions energy: -1816.228 where: short stacking energy: -760.290 Base-Backbone interact. energy: -1.570 local terms energy: -792.760349 where: bonds (distance) C4'-P energy: -148.158 bonds (distance) P-C4' energy: -143.025 flat angles C4'-P-C4' energy: -173.707 flat angles P-C4'-P energy: -109.418 tors. eta vs tors. theta energy: -218.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2443.562691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.562691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.562691 (E_RNA) where: Base-Base interactions energy: -1670.487 where: short stacking energy: -709.068 Base-Backbone interact. energy: -2.879 local terms energy: -770.196027 where: bonds (distance) C4'-P energy: -141.817 bonds (distance) P-C4' energy: -136.417 flat angles C4'-P-C4' energy: -164.284 flat angles P-C4'-P energy: -110.663 tors. eta vs tors. theta energy: -217.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2259.237546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.237546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.237546 (E_RNA) where: Base-Base interactions energy: -1540.160 where: short stacking energy: -649.218 Base-Backbone interact. energy: 3.270 local terms energy: -722.347653 where: bonds (distance) C4'-P energy: -138.407 bonds (distance) P-C4' energy: -152.561 flat angles C4'-P-C4' energy: -145.194 flat angles P-C4'-P energy: -102.074 tors. eta vs tors. theta energy: -184.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2182.955790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.955790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.955790 (E_RNA) where: Base-Base interactions energy: -1457.983 where: short stacking energy: -648.982 Base-Backbone interact. energy: -3.009 local terms energy: -721.964106 where: bonds (distance) C4'-P energy: -134.613 bonds (distance) P-C4' energy: -143.172 flat angles C4'-P-C4' energy: -162.460 flat angles P-C4'-P energy: -93.525 tors. eta vs tors. theta energy: -188.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2058.620110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.620110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.620110 (E_RNA) where: Base-Base interactions energy: -1378.014 where: short stacking energy: -625.113 Base-Backbone interact. energy: 1.007 local terms energy: -681.613325 where: bonds (distance) C4'-P energy: -105.388 bonds (distance) P-C4' energy: -154.869 flat angles C4'-P-C4' energy: -153.469 flat angles P-C4'-P energy: -96.398 tors. eta vs tors. theta energy: -171.488 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: 7 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1943.311633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.311633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.311633 (E_RNA) where: Base-Base interactions energy: -1258.774 where: short stacking energy: -593.492 Base-Backbone interact. energy: -4.029 local terms energy: -680.508464 where: bonds (distance) C4'-P energy: -142.121 bonds (distance) P-C4' energy: -125.602 flat angles C4'-P-C4' energy: -131.384 flat angles P-C4'-P energy: -110.058 tors. eta vs tors. theta energy: -171.344 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: 7, replica: 6 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1672.758871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.758871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.758871 (E_RNA) where: Base-Base interactions energy: -1077.675 where: short stacking energy: -484.703 Base-Backbone interact. energy: -1.741 local terms energy: -593.343595 where: bonds (distance) C4'-P energy: -135.304 bonds (distance) P-C4' energy: -131.195 flat angles C4'-P-C4' energy: -130.173 flat angles P-C4'-P energy: -87.841 tors. eta vs tors. theta energy: -108.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1384.089918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.089918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.089918 (E_RNA) where: Base-Base interactions energy: -883.786 where: short stacking energy: -376.396 Base-Backbone interact. energy: 0.316 local terms energy: -500.620646 where: bonds (distance) C4'-P energy: -115.010 bonds (distance) P-C4' energy: -136.394 flat angles C4'-P-C4' energy: -125.244 flat angles P-C4'-P energy: -70.409 tors. eta vs tors. theta energy: -53.563 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: 2 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1215.146692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.146692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.146692 (E_RNA) where: Base-Base interactions energy: -751.313 where: short stacking energy: -358.079 Base-Backbone interact. energy: -0.411 local terms energy: -463.422205 where: bonds (distance) C4'-P energy: -130.397 bonds (distance) P-C4' energy: -109.882 flat angles C4'-P-C4' energy: -102.105 flat angles P-C4'-P energy: -58.264 tors. eta vs tors. theta energy: -62.774 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: 5 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -852.484369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.484369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.484369 (E_RNA) where: Base-Base interactions energy: -456.068 where: short stacking energy: -235.600 Base-Backbone interact. energy: 0.248 local terms energy: -396.664781 where: bonds (distance) C4'-P energy: -128.414 bonds (distance) P-C4' energy: -95.180 flat angles C4'-P-C4' energy: -120.171 flat angles P-C4'-P energy: -65.256 tors. eta vs tors. theta energy: 12.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2609.407833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.407833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.407833 (E_RNA) where: Base-Base interactions energy: -1814.398 where: short stacking energy: -755.800 Base-Backbone interact. energy: -1.929 local terms energy: -793.081150 where: bonds (distance) C4'-P energy: -145.387 bonds (distance) P-C4' energy: -149.998 flat angles C4'-P-C4' energy: -171.463 flat angles P-C4'-P energy: -118.044 tors. eta vs tors. theta energy: -208.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2455.607783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.607783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.607783 (E_RNA) where: Base-Base interactions energy: -1673.074 where: short stacking energy: -733.569 Base-Backbone interact. energy: -1.755 local terms energy: -780.778136 where: bonds (distance) C4'-P energy: -136.337 bonds (distance) P-C4' energy: -150.227 flat angles C4'-P-C4' energy: -169.418 flat angles P-C4'-P energy: -112.852 tors. eta vs tors. theta energy: -211.945 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: 4 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2294.153886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.153886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.153886 (E_RNA) where: Base-Base interactions energy: -1566.523 where: short stacking energy: -687.330 Base-Backbone interact. energy: -2.751 local terms energy: -724.879467 where: bonds (distance) C4'-P energy: -121.547 bonds (distance) P-C4' energy: -144.927 flat angles C4'-P-C4' energy: -157.175 flat angles P-C4'-P energy: -102.662 tors. eta vs tors. theta energy: -198.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2123.409247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.409247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.409247 (E_RNA) where: Base-Base interactions energy: -1468.921 where: short stacking energy: -618.528 Base-Backbone interact. energy: -1.865 local terms energy: -652.623113 where: bonds (distance) C4'-P energy: -130.704 bonds (distance) P-C4' energy: -126.048 flat angles C4'-P-C4' energy: -134.485 flat angles P-C4'-P energy: -97.729 tors. eta vs tors. theta energy: -163.657 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: 10 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2134.928487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.928487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.928487 (E_RNA) where: Base-Base interactions energy: -1449.963 where: short stacking energy: -644.236 Base-Backbone interact. energy: -3.697 local terms energy: -681.268661 where: bonds (distance) C4'-P energy: -123.634 bonds (distance) P-C4' energy: -127.407 flat angles C4'-P-C4' energy: -157.863 flat angles P-C4'-P energy: -94.676 tors. eta vs tors. theta energy: -177.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1942.667624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.667624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.667624 (E_RNA) where: Base-Base interactions energy: -1281.665 where: short stacking energy: -576.952 Base-Backbone interact. energy: 1.412 local terms energy: -662.414709 where: bonds (distance) C4'-P energy: -140.710 bonds (distance) P-C4' energy: -127.445 flat angles C4'-P-C4' energy: -151.229 flat angles P-C4'-P energy: -97.113 tors. eta vs tors. theta energy: -145.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1683.886498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.886498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.886498 (E_RNA) where: Base-Base interactions energy: -1097.264 where: short stacking energy: -502.417 Base-Backbone interact. energy: 3.301 local terms energy: -589.922848 where: bonds (distance) C4'-P energy: -109.294 bonds (distance) P-C4' energy: -119.591 flat angles C4'-P-C4' energy: -146.011 flat angles P-C4'-P energy: -90.007 tors. eta vs tors. theta energy: -125.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1430.177781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.177781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.177781 (E_RNA) where: Base-Base interactions energy: -904.133 where: short stacking energy: -431.747 Base-Backbone interact. energy: 3.336 local terms energy: -529.381178 where: bonds (distance) C4'-P energy: -104.561 bonds (distance) P-C4' energy: -124.138 flat angles C4'-P-C4' energy: -126.266 flat angles P-C4'-P energy: -92.632 tors. eta vs tors. theta energy: -81.785 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: 2 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1202.212272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.212272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.212272 (E_RNA) where: Base-Base interactions energy: -743.703 where: short stacking energy: -335.388 Base-Backbone interact. energy: -1.479 local terms energy: -457.030623 where: bonds (distance) C4'-P energy: -113.366 bonds (distance) P-C4' energy: -121.917 flat angles C4'-P-C4' energy: -96.728 flat angles P-C4'-P energy: -84.971 tors. eta vs tors. theta energy: -40.049 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: 5 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -866.106419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.106419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.106419 (E_RNA) where: Base-Base interactions energy: -458.499 where: short stacking energy: -259.593 Base-Backbone interact. energy: 6.073 local terms energy: -413.680945 where: bonds (distance) C4'-P energy: -118.320 bonds (distance) P-C4' energy: -113.264 flat angles C4'-P-C4' energy: -100.175 flat angles P-C4'-P energy: -67.876 tors. eta vs tors. theta energy: -14.045 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: 1 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2617.005815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.005815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.005815 (E_RNA) where: Base-Base interactions energy: -1841.188 where: short stacking energy: -769.440 Base-Backbone interact. energy: -4.188 local terms energy: -771.629503 where: bonds (distance) C4'-P energy: -145.555 bonds (distance) P-C4' energy: -145.072 flat angles C4'-P-C4' energy: -173.247 flat angles P-C4'-P energy: -90.821 tors. eta vs tors. theta energy: -216.934 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: 2, replica: 8 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2462.860851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.860851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.860851 (E_RNA) where: Base-Base interactions energy: -1669.765 where: short stacking energy: -721.472 Base-Backbone interact. energy: -2.569 local terms energy: -790.526139 where: bonds (distance) C4'-P energy: -145.992 bonds (distance) P-C4' energy: -150.057 flat angles C4'-P-C4' energy: -163.376 flat angles P-C4'-P energy: -122.604 tors. eta vs tors. theta energy: -208.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2303.669168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.669168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.669168 (E_RNA) where: Base-Base interactions energy: -1548.323 where: short stacking energy: -716.766 Base-Backbone interact. energy: -1.367 local terms energy: -753.979612 where: bonds (distance) C4'-P energy: -140.963 bonds (distance) P-C4' energy: -142.339 flat angles C4'-P-C4' energy: -170.701 flat angles P-C4'-P energy: -104.230 tors. eta vs tors. theta energy: -195.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2103.808606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.808606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.808606 (E_RNA) where: Base-Base interactions energy: -1407.405 where: short stacking energy: -617.239 Base-Backbone interact. energy: -0.640 local terms energy: -695.764121 where: bonds (distance) C4'-P energy: -117.731 bonds (distance) P-C4' energy: -144.124 flat angles C4'-P-C4' energy: -164.069 flat angles P-C4'-P energy: -101.346 tors. eta vs tors. theta energy: -168.494 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: 10 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2103.558045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.558045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.558045 (E_RNA) where: Base-Base interactions energy: -1406.675 where: short stacking energy: -608.549 Base-Backbone interact. energy: -6.046 local terms energy: -690.836937 where: bonds (distance) C4'-P energy: -144.932 bonds (distance) P-C4' energy: -131.901 flat angles C4'-P-C4' energy: -144.508 flat angles P-C4'-P energy: -92.626 tors. eta vs tors. theta energy: -176.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1932.775405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.775405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.775405 (E_RNA) where: Base-Base interactions energy: -1289.819 where: short stacking energy: -539.374 Base-Backbone interact. energy: -1.767 local terms energy: -641.189387 where: bonds (distance) C4'-P energy: -138.800 bonds (distance) P-C4' energy: -138.779 flat angles C4'-P-C4' energy: -145.317 flat angles P-C4'-P energy: -77.132 tors. eta vs tors. theta energy: -141.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1635.264647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.264647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.264647 (E_RNA) where: Base-Base interactions energy: -1092.673 where: short stacking energy: -491.135 Base-Backbone interact. energy: 1.679 local terms energy: -544.270729 where: bonds (distance) C4'-P energy: -136.089 bonds (distance) P-C4' energy: -123.732 flat angles C4'-P-C4' energy: -114.778 flat angles P-C4'-P energy: -65.625 tors. eta vs tors. theta energy: -104.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1301.317241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.317241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.317241 (E_RNA) where: Base-Base interactions energy: -820.016 where: short stacking energy: -370.786 Base-Backbone interact. energy: 5.492 local terms energy: -486.793553 where: bonds (distance) C4'-P energy: -114.419 bonds (distance) P-C4' energy: -121.651 flat angles C4'-P-C4' energy: -133.768 flat angles P-C4'-P energy: -71.608 tors. eta vs tors. theta energy: -45.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1199.845878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.845878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.845878 (E_RNA) where: Base-Base interactions energy: -763.313 where: short stacking energy: -370.074 Base-Backbone interact. energy: -4.051 local terms energy: -432.481289 where: bonds (distance) C4'-P energy: -103.646 bonds (distance) P-C4' energy: -97.190 flat angles C4'-P-C4' energy: -116.463 flat angles P-C4'-P energy: -76.949 tors. eta vs tors. theta energy: -38.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -883.325307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.325307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.325307 (E_RNA) where: Base-Base interactions energy: -487.904 where: short stacking energy: -250.613 Base-Backbone interact. energy: 4.672 local terms energy: -400.093402 where: bonds (distance) C4'-P energy: -113.682 bonds (distance) P-C4' energy: -110.456 flat angles C4'-P-C4' energy: -120.835 flat angles P-C4'-P energy: -48.885 tors. eta vs tors. theta energy: -6.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2590.412970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.412970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.412970 (E_RNA) where: Base-Base interactions energy: -1808.582 where: short stacking energy: -752.082 Base-Backbone interact. energy: -3.825 local terms energy: -778.005919 where: bonds (distance) C4'-P energy: -147.926 bonds (distance) P-C4' energy: -145.750 flat angles C4'-P-C4' energy: -160.119 flat angles P-C4'-P energy: -109.670 tors. eta vs tors. theta energy: -214.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2466.192837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.192837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.192837 (E_RNA) where: Base-Base interactions energy: -1678.776 where: short stacking energy: -771.395 Base-Backbone interact. energy: -1.374 local terms energy: -786.042337 where: bonds (distance) C4'-P energy: -142.729 bonds (distance) P-C4' energy: -144.822 flat angles C4'-P-C4' energy: -159.358 flat angles P-C4'-P energy: -108.094 tors. eta vs tors. theta energy: -231.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2281.346568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.346568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.346568 (E_RNA) where: Base-Base interactions energy: -1573.285 where: short stacking energy: -690.600 Base-Backbone interact. energy: 0.075 local terms energy: -708.136156 where: bonds (distance) C4'-P energy: -119.638 bonds (distance) P-C4' energy: -142.786 flat angles C4'-P-C4' energy: -154.292 flat angles P-C4'-P energy: -101.338 tors. eta vs tors. theta energy: -190.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2130.287822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.287822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.287822 (E_RNA) where: Base-Base interactions energy: -1439.192 where: short stacking energy: -611.340 Base-Backbone interact. energy: -4.498 local terms energy: -686.598282 where: bonds (distance) C4'-P energy: -134.094 bonds (distance) P-C4' energy: -141.317 flat angles C4'-P-C4' energy: -153.191 flat angles P-C4'-P energy: -103.635 tors. eta vs tors. theta energy: -154.360 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: 10 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2065.645867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.645867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.645867 (E_RNA) where: Base-Base interactions energy: -1393.415 where: short stacking energy: -628.708 Base-Backbone interact. energy: -0.542 local terms energy: -671.689381 where: bonds (distance) C4'-P energy: -131.752 bonds (distance) P-C4' energy: -133.501 flat angles C4'-P-C4' energy: -137.034 flat angles P-C4'-P energy: -94.727 tors. eta vs tors. theta energy: -174.675 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: 121 Temperature: 1.150000 Total energy: -1921.922733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.922733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.922733 (E_RNA) where: Base-Base interactions energy: -1260.902 where: short stacking energy: -577.210 Base-Backbone interact. energy: -1.892 local terms energy: -659.128877 where: bonds (distance) C4'-P energy: -143.769 bonds (distance) P-C4' energy: -137.567 flat angles C4'-P-C4' energy: -139.221 flat angles P-C4'-P energy: -100.255 tors. eta vs tors. theta energy: -138.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1651.336606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.336606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.336606 (E_RNA) where: Base-Base interactions energy: -1083.107 where: short stacking energy: -456.772 Base-Backbone interact. energy: -1.367 local terms energy: -566.863224 where: bonds (distance) C4'-P energy: -121.031 bonds (distance) P-C4' energy: -122.677 flat angles C4'-P-C4' energy: -125.798 flat angles P-C4'-P energy: -89.280 tors. eta vs tors. theta energy: -108.077 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: 9 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1370.245402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.245402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.245402 (E_RNA) where: Base-Base interactions energy: -840.455 where: short stacking energy: -392.512 Base-Backbone interact. energy: -3.049 local terms energy: -526.741526 where: bonds (distance) C4'-P energy: -116.147 bonds (distance) P-C4' energy: -131.227 flat angles C4'-P-C4' energy: -116.120 flat angles P-C4'-P energy: -86.298 tors. eta vs tors. theta energy: -76.950 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: 2 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1166.072208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.072208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.072208 (E_RNA) where: Base-Base interactions energy: -668.516 where: short stacking energy: -313.552 Base-Backbone interact. energy: -0.876 local terms energy: -496.679876 where: bonds (distance) C4'-P energy: -123.293 bonds (distance) P-C4' energy: -121.358 flat angles C4'-P-C4' energy: -116.068 flat angles P-C4'-P energy: -89.611 tors. eta vs tors. theta energy: -46.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -913.486364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.486364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.486364 (E_RNA) where: Base-Base interactions energy: -473.255 where: short stacking energy: -249.428 Base-Backbone interact. energy: 0.574 local terms energy: -440.804696 where: bonds (distance) C4'-P energy: -137.876 bonds (distance) P-C4' energy: -118.685 flat angles C4'-P-C4' energy: -102.080 flat angles P-C4'-P energy: -69.860 tors. eta vs tors. theta energy: -12.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2598.747742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.747742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.747742 (E_RNA) where: Base-Base interactions energy: -1801.448 where: short stacking energy: -772.992 Base-Backbone interact. energy: -3.026 local terms energy: -794.274455 where: bonds (distance) C4'-P energy: -141.816 bonds (distance) P-C4' energy: -152.481 flat angles C4'-P-C4' energy: -179.133 flat angles P-C4'-P energy: -112.419 tors. eta vs tors. theta energy: -208.426 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: 8 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2465.190366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.190366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.190366 (E_RNA) where: Base-Base interactions energy: -1652.658 where: short stacking energy: -756.218 Base-Backbone interact. energy: -6.485 local terms energy: -806.047218 where: bonds (distance) C4'-P energy: -138.386 bonds (distance) P-C4' energy: -147.422 flat angles C4'-P-C4' energy: -167.889 flat angles P-C4'-P energy: -126.846 tors. eta vs tors. theta energy: -225.503 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: 4 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2309.397916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.397916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.397916 (E_RNA) where: Base-Base interactions energy: -1540.297 where: short stacking energy: -693.360 Base-Backbone interact. energy: -1.127 local terms energy: -767.973559 where: bonds (distance) C4'-P energy: -140.787 bonds (distance) P-C4' energy: -146.308 flat angles C4'-P-C4' energy: -157.324 flat angles P-C4'-P energy: -117.426 tors. eta vs tors. theta energy: -206.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2191.038231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.038231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.038231 (E_RNA) where: Base-Base interactions energy: -1531.856 where: short stacking energy: -635.514 Base-Backbone interact. energy: -2.075 local terms energy: -657.106573 where: bonds (distance) C4'-P energy: -127.007 bonds (distance) P-C4' energy: -117.754 flat angles C4'-P-C4' energy: -156.656 flat angles P-C4'-P energy: -93.713 tors. eta vs tors. theta energy: -161.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2068.295208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.295208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.295208 (E_RNA) where: Base-Base interactions energy: -1404.744 where: short stacking energy: -614.156 Base-Backbone interact. energy: -1.474 local terms energy: -662.077711 where: bonds (distance) C4'-P energy: -122.087 bonds (distance) P-C4' energy: -116.481 flat angles C4'-P-C4' energy: -153.761 flat angles P-C4'-P energy: -103.523 tors. eta vs tors. theta energy: -166.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1910.044422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.044422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.044422 (E_RNA) where: Base-Base interactions energy: -1263.562 where: short stacking energy: -562.476 Base-Backbone interact. energy: -2.173 local terms energy: -644.308723 where: bonds (distance) C4'-P energy: -106.235 bonds (distance) P-C4' energy: -140.178 flat angles C4'-P-C4' energy: -142.567 flat angles P-C4'-P energy: -103.724 tors. eta vs tors. theta energy: -151.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1665.228613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.228613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.228613 (E_RNA) where: Base-Base interactions energy: -1075.693 where: short stacking energy: -478.512 Base-Backbone interact. energy: 3.087 local terms energy: -592.622996 where: bonds (distance) C4'-P energy: -104.240 bonds (distance) P-C4' energy: -136.803 flat angles C4'-P-C4' energy: -149.462 flat angles P-C4'-P energy: -72.017 tors. eta vs tors. theta energy: -130.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1427.494605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.494605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.494605 (E_RNA) where: Base-Base interactions energy: -886.711 where: short stacking energy: -406.694 Base-Backbone interact. energy: -0.906 local terms energy: -539.877981 where: bonds (distance) C4'-P energy: -120.412 bonds (distance) P-C4' energy: -132.966 flat angles C4'-P-C4' energy: -128.719 flat angles P-C4'-P energy: -62.952 tors. eta vs tors. theta energy: -94.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1223.210827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.210827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.210827 (E_RNA) where: Base-Base interactions energy: -719.433 where: short stacking energy: -347.237 Base-Backbone interact. energy: 2.188 local terms energy: -505.966312 where: bonds (distance) C4'-P energy: -123.151 bonds (distance) P-C4' energy: -102.536 flat angles C4'-P-C4' energy: -131.948 flat angles P-C4'-P energy: -80.535 tors. eta vs tors. theta energy: -67.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -936.927638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.927638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.927638 (E_RNA) where: Base-Base interactions energy: -508.258 where: short stacking energy: -264.914 Base-Backbone interact. energy: 1.715 local terms energy: -430.384378 where: bonds (distance) C4'-P energy: -117.587 bonds (distance) P-C4' energy: -110.655 flat angles C4'-P-C4' energy: -117.254 flat angles P-C4'-P energy: -75.997 tors. eta vs tors. theta energy: -8.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2565.559365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.559365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.559365 (E_RNA) where: Base-Base interactions energy: -1778.250 where: short stacking energy: -736.109 Base-Backbone interact. energy: -4.954 local terms energy: -782.355734 where: bonds (distance) C4'-P energy: -152.071 bonds (distance) P-C4' energy: -134.145 flat angles C4'-P-C4' energy: -174.442 flat angles P-C4'-P energy: -112.357 tors. eta vs tors. theta energy: -209.340 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: 8 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2458.571042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.571042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.571042 (E_RNA) where: Base-Base interactions energy: -1685.022 where: short stacking energy: -758.703 Base-Backbone interact. energy: -3.070 local terms energy: -770.478966 where: bonds (distance) C4'-P energy: -144.196 bonds (distance) P-C4' energy: -134.974 flat angles C4'-P-C4' energy: -166.583 flat angles P-C4'-P energy: -102.640 tors. eta vs tors. theta energy: -222.086 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: 4 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2284.946485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.946485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.946485 (E_RNA) where: Base-Base interactions energy: -1532.223 where: short stacking energy: -691.162 Base-Backbone interact. energy: -1.644 local terms energy: -751.078942 where: bonds (distance) C4'-P energy: -148.557 bonds (distance) P-C4' energy: -137.977 flat angles C4'-P-C4' energy: -156.373 flat angles P-C4'-P energy: -99.240 tors. eta vs tors. theta energy: -208.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2192.970301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.970301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.970301 (E_RNA) where: Base-Base interactions energy: -1474.674 where: short stacking energy: -612.952 Base-Backbone interact. energy: -3.594 local terms energy: -714.701809 where: bonds (distance) C4'-P energy: -135.098 bonds (distance) P-C4' energy: -139.254 flat angles C4'-P-C4' energy: -163.166 flat angles P-C4'-P energy: -109.934 tors. eta vs tors. theta energy: -167.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2055.756459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.756459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.756459 (E_RNA) where: Base-Base interactions energy: -1347.372 where: short stacking energy: -606.501 Base-Backbone interact. energy: -3.842 local terms energy: -704.542577 where: bonds (distance) C4'-P energy: -122.065 bonds (distance) P-C4' energy: -144.699 flat angles C4'-P-C4' energy: -145.757 flat angles P-C4'-P energy: -110.146 tors. eta vs tors. theta energy: -181.875 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: 7 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1948.958600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.958600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.958600 (E_RNA) where: Base-Base interactions energy: -1306.143 where: short stacking energy: -562.581 Base-Backbone interact. energy: 2.125 local terms energy: -644.941112 where: bonds (distance) C4'-P energy: -128.963 bonds (distance) P-C4' energy: -118.716 flat angles C4'-P-C4' energy: -154.180 flat angles P-C4'-P energy: -86.183 tors. eta vs tors. theta energy: -156.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1690.015046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.015046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.015046 (E_RNA) where: Base-Base interactions energy: -1095.287 where: short stacking energy: -454.555 Base-Backbone interact. energy: -0.494 local terms energy: -594.234247 where: bonds (distance) C4'-P energy: -128.763 bonds (distance) P-C4' energy: -131.760 flat angles C4'-P-C4' energy: -135.762 flat angles P-C4'-P energy: -81.879 tors. eta vs tors. theta energy: -116.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1387.917120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.917120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.917120 (E_RNA) where: Base-Base interactions energy: -874.261 where: short stacking energy: -391.475 Base-Backbone interact. energy: -2.815 local terms energy: -510.841191 where: bonds (distance) C4'-P energy: -113.648 bonds (distance) P-C4' energy: -131.185 flat angles C4'-P-C4' energy: -131.376 flat angles P-C4'-P energy: -80.800 tors. eta vs tors. theta energy: -53.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1163.591252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.591252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.591252 (E_RNA) where: Base-Base interactions energy: -701.761 where: short stacking energy: -305.699 Base-Backbone interact. energy: -2.986 local terms energy: -458.844162 where: bonds (distance) C4'-P energy: -140.740 bonds (distance) P-C4' energy: -120.093 flat angles C4'-P-C4' energy: -113.059 flat angles P-C4'-P energy: -68.960 tors. eta vs tors. theta energy: -15.991 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: 10, replica: 5 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -847.672589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.672589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.672589 (E_RNA) where: Base-Base interactions energy: -414.653 where: short stacking energy: -242.003 Base-Backbone interact. energy: -0.343 local terms energy: -432.676835 where: bonds (distance) C4'-P energy: -106.512 bonds (distance) P-C4' energy: -136.030 flat angles C4'-P-C4' energy: -100.846 flat angles P-C4'-P energy: -65.368 tors. eta vs tors. theta energy: -23.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2574.376453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.376453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.376453 (E_RNA) where: Base-Base interactions energy: -1783.598 where: short stacking energy: -767.760 Base-Backbone interact. energy: -4.558 local terms energy: -786.219667 where: bonds (distance) C4'-P energy: -160.212 bonds (distance) P-C4' energy: -140.040 flat angles C4'-P-C4' energy: -171.989 flat angles P-C4'-P energy: -101.086 tors. eta vs tors. theta energy: -212.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2449.330222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.330222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.330222 (E_RNA) where: Base-Base interactions energy: -1635.809 where: short stacking energy: -718.248 Base-Backbone interact. energy: -2.890 local terms energy: -810.631871 where: bonds (distance) C4'-P energy: -148.749 bonds (distance) P-C4' energy: -147.506 flat angles C4'-P-C4' energy: -168.822 flat angles P-C4'-P energy: -121.572 tors. eta vs tors. theta energy: -223.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2273.254752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.254752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.254752 (E_RNA) where: Base-Base interactions energy: -1522.811 where: short stacking energy: -671.013 Base-Backbone interact. energy: -1.920 local terms energy: -748.524209 where: bonds (distance) C4'-P energy: -136.179 bonds (distance) P-C4' energy: -144.507 flat angles C4'-P-C4' energy: -153.732 flat angles P-C4'-P energy: -110.514 tors. eta vs tors. theta energy: -203.592 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: 124 Temperature: 1.050000 Total energy: -2204.525101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.525101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.525101 (E_RNA) where: Base-Base interactions energy: -1503.713 where: short stacking energy: -672.198 Base-Backbone interact. energy: 0.674 local terms energy: -701.486128 where: bonds (distance) C4'-P energy: -122.822 bonds (distance) P-C4' energy: -142.496 flat angles C4'-P-C4' energy: -155.272 flat angles P-C4'-P energy: -110.067 tors. eta vs tors. theta energy: -170.828 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: 10 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2037.780965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.780965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.780965 (E_RNA) where: Base-Base interactions energy: -1336.575 where: short stacking energy: -601.940 Base-Backbone interact. energy: -4.152 local terms energy: -697.053749 where: bonds (distance) C4'-P energy: -126.971 bonds (distance) P-C4' energy: -140.538 flat angles C4'-P-C4' energy: -151.547 flat angles P-C4'-P energy: -107.305 tors. eta vs tors. theta energy: -170.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1959.171010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.171010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.171010 (E_RNA) where: Base-Base interactions energy: -1297.351 where: short stacking energy: -591.274 Base-Backbone interact. energy: -0.210 local terms energy: -661.609522 where: bonds (distance) C4'-P energy: -116.821 bonds (distance) P-C4' energy: -140.384 flat angles C4'-P-C4' energy: -126.308 flat angles P-C4'-P energy: -92.519 tors. eta vs tors. theta energy: -185.578 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: 7, replica: 6 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1684.206315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.206315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.206315 (E_RNA) where: Base-Base interactions energy: -1092.348 where: short stacking energy: -525.558 Base-Backbone interact. energy: 0.550 local terms energy: -592.408488 where: bonds (distance) C4'-P energy: -105.710 bonds (distance) P-C4' energy: -124.717 flat angles C4'-P-C4' energy: -124.597 flat angles P-C4'-P energy: -103.176 tors. eta vs tors. theta energy: -134.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1410.257725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.257725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.257725 (E_RNA) where: Base-Base interactions energy: -904.668 where: short stacking energy: -399.186 Base-Backbone interact. energy: -1.729 local terms energy: -503.861149 where: bonds (distance) C4'-P energy: -108.688 bonds (distance) P-C4' energy: -143.000 flat angles C4'-P-C4' energy: -112.781 flat angles P-C4'-P energy: -65.792 tors. eta vs tors. theta energy: -73.599 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: 2 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1216.682491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.682491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.682491 (E_RNA) where: Base-Base interactions energy: -726.226 where: short stacking energy: -346.967 Base-Backbone interact. energy: -0.528 local terms energy: -489.927895 where: bonds (distance) C4'-P energy: -130.388 bonds (distance) P-C4' energy: -122.102 flat angles C4'-P-C4' energy: -111.367 flat angles P-C4'-P energy: -78.443 tors. eta vs tors. theta energy: -47.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -876.808286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.808286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.808286 (E_RNA) where: Base-Base interactions energy: -449.938 where: short stacking energy: -249.380 Base-Backbone interact. energy: -1.407 local terms energy: -425.463354 where: bonds (distance) C4'-P energy: -103.046 bonds (distance) P-C4' energy: -135.657 flat angles C4'-P-C4' energy: -124.431 flat angles P-C4'-P energy: -55.207 tors. eta vs tors. theta energy: -7.123 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: 1 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2579.869088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.869088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.869088 (E_RNA) where: Base-Base interactions energy: -1772.856 where: short stacking energy: -758.356 Base-Backbone interact. energy: -1.741 local terms energy: -805.271920 where: bonds (distance) C4'-P energy: -158.875 bonds (distance) P-C4' energy: -160.501 flat angles C4'-P-C4' energy: -165.641 flat angles P-C4'-P energy: -117.092 tors. eta vs tors. theta energy: -203.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2450.089105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.089105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.089105 (E_RNA) where: Base-Base interactions energy: -1699.485 where: short stacking energy: -729.619 Base-Backbone interact. energy: -1.681 local terms energy: -748.923023 where: bonds (distance) C4'-P energy: -131.324 bonds (distance) P-C4' energy: -144.152 flat angles C4'-P-C4' energy: -154.564 flat angles P-C4'-P energy: -101.233 tors. eta vs tors. theta energy: -217.650 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: 4 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2293.904170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.904170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.904170 (E_RNA) where: Base-Base interactions energy: -1547.690 where: short stacking energy: -677.550 Base-Backbone interact. energy: -3.913 local terms energy: -742.301648 where: bonds (distance) C4'-P energy: -150.345 bonds (distance) P-C4' energy: -161.494 flat angles C4'-P-C4' energy: -154.103 flat angles P-C4'-P energy: -92.841 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: 4, replica: 3 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2211.480629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.480629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.480629 (E_RNA) where: Base-Base interactions energy: -1511.822 where: short stacking energy: -654.268 Base-Backbone interact. energy: -3.426 local terms energy: -696.233437 where: bonds (distance) C4'-P energy: -139.186 bonds (distance) P-C4' energy: -132.207 flat angles C4'-P-C4' energy: -153.690 flat angles P-C4'-P energy: -90.170 tors. eta vs tors. theta energy: -180.980 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: 10 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2057.235655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.235655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.235655 (E_RNA) where: Base-Base interactions energy: -1387.598 where: short stacking energy: -611.379 Base-Backbone interact. energy: -2.853 local terms energy: -666.784825 where: bonds (distance) C4'-P energy: -123.725 bonds (distance) P-C4' energy: -139.247 flat angles C4'-P-C4' energy: -148.718 flat angles P-C4'-P energy: -95.546 tors. eta vs tors. theta energy: -159.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1975.819588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.819588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.819588 (E_RNA) where: Base-Base interactions energy: -1334.331 where: short stacking energy: -593.138 Base-Backbone interact. energy: -3.458 local terms energy: -638.031425 where: bonds (distance) C4'-P energy: -116.590 bonds (distance) P-C4' energy: -122.330 flat angles C4'-P-C4' energy: -147.852 flat angles P-C4'-P energy: -101.186 tors. eta vs tors. theta energy: -150.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1621.940680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.940680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.940680 (E_RNA) where: Base-Base interactions energy: -1030.661 where: short stacking energy: -484.269 Base-Backbone interact. energy: -2.744 local terms energy: -588.535755 where: bonds (distance) C4'-P energy: -119.566 bonds (distance) P-C4' energy: -121.394 flat angles C4'-P-C4' energy: -130.849 flat angles P-C4'-P energy: -102.790 tors. eta vs tors. theta energy: -113.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1352.427999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.427999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.427999 (E_RNA) where: Base-Base interactions energy: -852.544 where: short stacking energy: -383.572 Base-Backbone interact. energy: -3.999 local terms energy: -495.884824 where: bonds (distance) C4'-P energy: -91.546 bonds (distance) P-C4' energy: -145.799 flat angles C4'-P-C4' energy: -109.126 flat angles P-C4'-P energy: -82.251 tors. eta vs tors. theta energy: -67.163 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: 2 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1186.615387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.615387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.615387 (E_RNA) where: Base-Base interactions energy: -718.681 where: short stacking energy: -340.422 Base-Backbone interact. energy: 4.275 local terms energy: -472.210117 where: bonds (distance) C4'-P energy: -122.968 bonds (distance) P-C4' energy: -120.825 flat angles C4'-P-C4' energy: -104.722 flat angles P-C4'-P energy: -69.982 tors. eta vs tors. theta energy: -53.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -872.106110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.106110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.106110 (E_RNA) where: Base-Base interactions energy: -455.955 where: short stacking energy: -238.474 Base-Backbone interact. energy: 2.139 local terms energy: -418.290560 where: bonds (distance) C4'-P energy: -110.296 bonds (distance) P-C4' energy: -119.854 flat angles C4'-P-C4' energy: -130.266 flat angles P-C4'-P energy: -47.834 tors. eta vs tors. theta energy: -10.040 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: 1, replica: 1 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2594.834022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.834022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.834022 (E_RNA) where: Base-Base interactions energy: -1809.476 where: short stacking energy: -753.409 Base-Backbone interact. energy: -1.487 local terms energy: -783.870667 where: bonds (distance) C4'-P energy: -145.251 bonds (distance) P-C4' energy: -130.617 flat angles C4'-P-C4' energy: -175.651 flat angles P-C4'-P energy: -116.033 tors. eta vs tors. theta energy: -216.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2464.444709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.444709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.444709 (E_RNA) where: Base-Base interactions energy: -1692.087 where: short stacking energy: -731.162 Base-Backbone interact. energy: -0.397 local terms energy: -771.960271 where: bonds (distance) C4'-P energy: -129.589 bonds (distance) P-C4' energy: -143.820 flat angles C4'-P-C4' energy: -173.739 flat angles P-C4'-P energy: -104.654 tors. eta vs tors. theta energy: -220.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2362.863150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.863150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.863150 (E_RNA) where: Base-Base interactions energy: -1607.678 where: short stacking energy: -736.303 Base-Backbone interact. energy: -4.043 local terms energy: -751.141953 where: bonds (distance) C4'-P energy: -153.021 bonds (distance) P-C4' energy: -130.265 flat angles C4'-P-C4' energy: -150.430 flat angles P-C4'-P energy: -100.939 tors. eta vs tors. theta energy: -216.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2183.731333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.731333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.731333 (E_RNA) where: Base-Base interactions energy: -1519.889 where: short stacking energy: -651.449 Base-Backbone interact. energy: -1.867 local terms energy: -661.976015 where: bonds (distance) C4'-P energy: -131.868 bonds (distance) P-C4' energy: -129.918 flat angles C4'-P-C4' energy: -151.586 flat angles P-C4'-P energy: -80.792 tors. eta vs tors. theta energy: -167.812 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: 10 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2029.145807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.145807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.145807 (E_RNA) where: Base-Base interactions energy: -1356.448 where: short stacking energy: -608.134 Base-Backbone interact. energy: 2.554 local terms energy: -675.252099 where: bonds (distance) C4'-P energy: -136.223 bonds (distance) P-C4' energy: -128.840 flat angles C4'-P-C4' energy: -157.479 flat angles P-C4'-P energy: -74.864 tors. eta vs tors. theta energy: -177.846 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: 7 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1933.891054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.891054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.891054 (E_RNA) where: Base-Base interactions energy: -1286.422 where: short stacking energy: -564.377 Base-Backbone interact. energy: 0.165 local terms energy: -647.633880 where: bonds (distance) C4'-P energy: -122.031 bonds (distance) P-C4' energy: -134.024 flat angles C4'-P-C4' energy: -141.344 flat angles P-C4'-P energy: -101.586 tors. eta vs tors. theta energy: -148.649 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: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1619.319015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.319015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.319015 (E_RNA) where: Base-Base interactions energy: -1072.011 where: short stacking energy: -464.317 Base-Backbone interact. energy: 0.497 local terms energy: -547.804977 where: bonds (distance) C4'-P energy: -107.483 bonds (distance) P-C4' energy: -131.894 flat angles C4'-P-C4' energy: -133.293 flat angles P-C4'-P energy: -79.608 tors. eta vs tors. theta energy: -95.527 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: 8, replica: 9 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1419.129704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.129704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.129704 (E_RNA) where: Base-Base interactions energy: -910.324 where: short stacking energy: -404.997 Base-Backbone interact. energy: -1.109 local terms energy: -507.697191 where: bonds (distance) C4'-P energy: -113.030 bonds (distance) P-C4' energy: -146.036 flat angles C4'-P-C4' energy: -124.234 flat angles P-C4'-P energy: -60.635 tors. eta vs tors. theta energy: -63.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1187.029744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.029744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.029744 (E_RNA) where: Base-Base interactions energy: -715.011 where: short stacking energy: -339.667 Base-Backbone interact. energy: 6.024 local terms energy: -478.042771 where: bonds (distance) C4'-P energy: -95.223 bonds (distance) P-C4' energy: -123.338 flat angles C4'-P-C4' energy: -125.973 flat angles P-C4'-P energy: -77.719 tors. eta vs tors. theta energy: -55.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -879.313956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.313956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.313956 (E_RNA) where: Base-Base interactions energy: -441.154 where: short stacking energy: -242.445 Base-Backbone interact. energy: -1.505 local terms energy: -436.655228 where: bonds (distance) C4'-P energy: -117.622 bonds (distance) P-C4' energy: -134.146 flat angles C4'-P-C4' energy: -105.200 flat angles P-C4'-P energy: -77.626 tors. eta vs tors. theta energy: -2.061 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: 1, replica: 1 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2588.182375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.182375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.182375 (E_RNA) where: Base-Base interactions energy: -1799.024 where: short stacking energy: -748.584 Base-Backbone interact. energy: -1.856 local terms energy: -787.302592 where: bonds (distance) C4'-P energy: -149.292 bonds (distance) P-C4' energy: -143.780 flat angles C4'-P-C4' energy: -168.455 flat angles P-C4'-P energy: -126.749 tors. eta vs tors. theta energy: -199.026 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: 8 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2461.319248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.319248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.319248 (E_RNA) where: Base-Base interactions energy: -1678.771 where: short stacking energy: -740.314 Base-Backbone interact. energy: -3.721 local terms energy: -778.827391 where: bonds (distance) C4'-P energy: -147.995 bonds (distance) P-C4' energy: -139.076 flat angles C4'-P-C4' energy: -161.315 flat angles P-C4'-P energy: -114.221 tors. eta vs tors. theta energy: -216.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2387.660140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.660140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.660140 (E_RNA) where: Base-Base interactions energy: -1639.224 where: short stacking energy: -721.394 Base-Backbone interact. energy: -4.907 local terms energy: -743.528970 where: bonds (distance) C4'-P energy: -139.402 bonds (distance) P-C4' energy: -141.064 flat angles C4'-P-C4' energy: -156.499 flat angles P-C4'-P energy: -94.879 tors. eta vs tors. theta energy: -211.684 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: 4, replica: 3 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2146.496750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.496750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.496750 (E_RNA) where: Base-Base interactions energy: -1424.782 where: short stacking energy: -602.893 Base-Backbone interact. energy: -0.335 local terms energy: -721.378894 where: bonds (distance) C4'-P energy: -150.794 bonds (distance) P-C4' energy: -132.298 flat angles C4'-P-C4' energy: -155.348 flat angles P-C4'-P energy: -116.944 tors. eta vs tors. theta energy: -165.996 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: 10 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2043.743658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.743658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.743658 (E_RNA) where: Base-Base interactions energy: -1358.237 where: short stacking energy: -606.558 Base-Backbone interact. energy: -3.967 local terms energy: -681.539632 where: bonds (distance) C4'-P energy: -124.346 bonds (distance) P-C4' energy: -144.673 flat angles C4'-P-C4' energy: -154.325 flat angles P-C4'-P energy: -92.593 tors. eta vs tors. theta energy: -165.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1895.091469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.091469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.091469 (E_RNA) where: Base-Base interactions energy: -1302.430 where: short stacking energy: -549.503 Base-Backbone interact. energy: -2.864 local terms energy: -589.797557 where: bonds (distance) C4'-P energy: -125.304 bonds (distance) P-C4' energy: -120.208 flat angles C4'-P-C4' energy: -137.897 flat angles P-C4'-P energy: -80.853 tors. eta vs tors. theta energy: -125.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1674.588253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.588253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.588253 (E_RNA) where: Base-Base interactions energy: -1123.858 where: short stacking energy: -482.961 Base-Backbone interact. energy: 0.393 local terms energy: -551.123013 where: bonds (distance) C4'-P energy: -112.023 bonds (distance) P-C4' energy: -113.548 flat angles C4'-P-C4' energy: -145.213 flat angles P-C4'-P energy: -83.391 tors. eta vs tors. theta energy: -96.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1450.239867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.239867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.239867 (E_RNA) where: Base-Base interactions energy: -916.095 where: short stacking energy: -412.276 Base-Backbone interact. energy: 3.700 local terms energy: -537.845245 where: bonds (distance) C4'-P energy: -114.152 bonds (distance) P-C4' energy: -113.497 flat angles C4'-P-C4' energy: -129.194 flat angles P-C4'-P energy: -96.871 tors. eta vs tors. theta energy: -84.132 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: 2 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1213.706454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.706454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.706454 (E_RNA) where: Base-Base interactions energy: -718.306 where: short stacking energy: -349.511 Base-Backbone interact. energy: -2.900 local terms energy: -492.500959 where: bonds (distance) C4'-P energy: -117.401 bonds (distance) P-C4' energy: -137.441 flat angles C4'-P-C4' energy: -114.164 flat angles P-C4'-P energy: -61.482 tors. eta vs tors. theta energy: -62.012 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: 5 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -909.967650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.967650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.967650 (E_RNA) where: Base-Base interactions energy: -511.840 where: short stacking energy: -267.172 Base-Backbone interact. energy: 0.550 local terms energy: -398.677430 where: bonds (distance) C4'-P energy: -109.325 bonds (distance) P-C4' energy: -102.146 flat angles C4'-P-C4' energy: -94.718 flat angles P-C4'-P energy: -74.693 tors. eta vs tors. theta energy: -17.795 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: 1 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2578.627391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.627391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.627391 (E_RNA) where: Base-Base interactions energy: -1762.751 where: short stacking energy: -738.725 Base-Backbone interact. energy: -0.472 local terms energy: -815.404882 where: bonds (distance) C4'-P energy: -165.368 bonds (distance) P-C4' energy: -158.539 flat angles C4'-P-C4' energy: -170.670 flat angles P-C4'-P energy: -121.146 tors. eta vs tors. theta energy: -199.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2453.219344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.219344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.219344 (E_RNA) where: Base-Base interactions energy: -1678.807 where: short stacking energy: -726.139 Base-Backbone interact. energy: -1.362 local terms energy: -773.050581 where: bonds (distance) C4'-P energy: -142.949 bonds (distance) P-C4' energy: -127.792 flat angles C4'-P-C4' energy: -158.107 flat angles P-C4'-P energy: -122.678 tors. eta vs tors. theta energy: -221.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2310.628090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.628090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.628090 (E_RNA) where: Base-Base interactions energy: -1564.620 where: short stacking energy: -713.152 Base-Backbone interact. energy: -2.250 local terms energy: -743.757506 where: bonds (distance) C4'-P energy: -130.533 bonds (distance) P-C4' energy: -138.865 flat angles C4'-P-C4' energy: -169.409 flat angles P-C4'-P energy: -97.475 tors. eta vs tors. theta energy: -207.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2162.574820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.574820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.574820 (E_RNA) where: Base-Base interactions energy: -1479.779 where: short stacking energy: -639.742 Base-Backbone interact. energy: -4.654 local terms energy: -678.141818 where: bonds (distance) C4'-P energy: -125.356 bonds (distance) P-C4' energy: -135.614 flat angles C4'-P-C4' energy: -144.309 flat angles P-C4'-P energy: -103.489 tors. eta vs tors. theta energy: -169.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2074.837803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.837803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.837803 (E_RNA) where: Base-Base interactions energy: -1392.645 where: short stacking energy: -619.991 Base-Backbone interact. energy: 0.019 local terms energy: -682.212023 where: bonds (distance) C4'-P energy: -123.012 bonds (distance) P-C4' energy: -126.748 flat angles C4'-P-C4' energy: -150.860 flat angles P-C4'-P energy: -99.744 tors. eta vs tors. theta energy: -181.849 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: 7 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1904.630082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.630082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.630082 (E_RNA) where: Base-Base interactions energy: -1243.191 where: short stacking energy: -563.714 Base-Backbone interact. energy: -0.865 local terms energy: -660.574586 where: bonds (distance) C4'-P energy: -139.884 bonds (distance) P-C4' energy: -124.250 flat angles C4'-P-C4' energy: -145.634 flat angles P-C4'-P energy: -89.212 tors. eta vs tors. theta energy: -161.594 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: 6 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1675.676479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.676479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.676479 (E_RNA) where: Base-Base interactions energy: -1105.212 where: short stacking energy: -493.720 Base-Backbone interact. energy: 6.104 local terms energy: -576.568640 where: bonds (distance) C4'-P energy: -98.949 bonds (distance) P-C4' energy: -136.746 flat angles C4'-P-C4' energy: -135.417 flat angles P-C4'-P energy: -90.783 tors. eta vs tors. theta energy: -114.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1430.647115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.647115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.647115 (E_RNA) where: Base-Base interactions energy: -910.288 where: short stacking energy: -399.768 Base-Backbone interact. energy: -0.196 local terms energy: -520.163567 where: bonds (distance) C4'-P energy: -125.308 bonds (distance) P-C4' energy: -136.758 flat angles C4'-P-C4' energy: -115.264 flat angles P-C4'-P energy: -73.783 tors. eta vs tors. theta energy: -69.050 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: 9, replica: 2 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1121.227896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.227896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.227896 (E_RNA) where: Base-Base interactions energy: -609.318 where: short stacking energy: -295.294 Base-Backbone interact. energy: -1.111 local terms energy: -510.799008 where: bonds (distance) C4'-P energy: -140.334 bonds (distance) P-C4' energy: -117.567 flat angles C4'-P-C4' energy: -141.107 flat angles P-C4'-P energy: -80.518 tors. eta vs tors. theta energy: -31.273 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: 5 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -938.695206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.695206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.695206 (E_RNA) where: Base-Base interactions energy: -479.259 where: short stacking energy: -272.022 Base-Backbone interact. energy: -0.388 local terms energy: -459.048604 where: bonds (distance) C4'-P energy: -110.446 bonds (distance) P-C4' energy: -137.857 flat angles C4'-P-C4' energy: -115.380 flat angles P-C4'-P energy: -75.511 tors. eta vs tors. theta energy: -19.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2607.503952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.503952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.503952 (E_RNA) where: Base-Base interactions energy: -1832.674 where: short stacking energy: -767.085 Base-Backbone interact. energy: -1.883 local terms energy: -772.947101 where: bonds (distance) C4'-P energy: -138.544 bonds (distance) P-C4' energy: -143.203 flat angles C4'-P-C4' energy: -180.470 flat angles P-C4'-P energy: -101.844 tors. eta vs tors. theta energy: -208.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2476.077847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.077847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.077847 (E_RNA) where: Base-Base interactions energy: -1689.219 where: short stacking energy: -754.951 Base-Backbone interact. energy: 0.894 local terms energy: -787.752637 where: bonds (distance) C4'-P energy: -144.217 bonds (distance) P-C4' energy: -148.625 flat angles C4'-P-C4' energy: -166.118 flat angles P-C4'-P energy: -97.844 tors. eta vs tors. theta energy: -230.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2328.844549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.844549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.844549 (E_RNA) where: Base-Base interactions energy: -1579.375 where: short stacking energy: -699.106 Base-Backbone interact. energy: -0.916 local terms energy: -748.553692 where: bonds (distance) C4'-P energy: -132.659 bonds (distance) P-C4' energy: -141.805 flat angles C4'-P-C4' energy: -155.342 flat angles P-C4'-P energy: -109.816 tors. eta vs tors. theta energy: -208.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2122.881615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.881615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.881615 (E_RNA) where: Base-Base interactions energy: -1461.082 where: short stacking energy: -621.743 Base-Backbone interact. energy: -1.539 local terms energy: -660.260723 where: bonds (distance) C4'-P energy: -118.055 bonds (distance) P-C4' energy: -123.549 flat angles C4'-P-C4' energy: -147.401 flat angles P-C4'-P energy: -96.474 tors. eta vs tors. theta energy: -174.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1999.135609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.135609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.135609 (E_RNA) where: Base-Base interactions energy: -1336.126 where: short stacking energy: -581.382 Base-Backbone interact. energy: -2.397 local terms energy: -660.612449 where: bonds (distance) C4'-P energy: -136.132 bonds (distance) P-C4' energy: -124.578 flat angles C4'-P-C4' energy: -129.883 flat angles P-C4'-P energy: -103.458 tors. eta vs tors. theta energy: -166.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1869.223243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.223243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.223243 (E_RNA) where: Base-Base interactions energy: -1234.447 where: short stacking energy: -561.022 Base-Backbone interact. energy: -1.775 local terms energy: -633.001189 where: bonds (distance) C4'-P energy: -107.509 bonds (distance) P-C4' energy: -132.589 flat angles C4'-P-C4' energy: -159.021 flat angles P-C4'-P energy: -85.151 tors. eta vs tors. theta energy: -148.731 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: 6 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1630.066119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.066119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.066119 (E_RNA) where: Base-Base interactions energy: -1067.281 where: short stacking energy: -468.712 Base-Backbone interact. energy: -1.355 local terms energy: -561.429650 where: bonds (distance) C4'-P energy: -118.284 bonds (distance) P-C4' energy: -106.796 flat angles C4'-P-C4' energy: -115.380 flat angles P-C4'-P energy: -101.948 tors. eta vs tors. theta energy: -119.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1434.889119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.889119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.889119 (E_RNA) where: Base-Base interactions energy: -920.654 where: short stacking energy: -419.399 Base-Backbone interact. energy: 1.021 local terms energy: -515.255803 where: bonds (distance) C4'-P energy: -101.970 bonds (distance) P-C4' energy: -140.361 flat angles C4'-P-C4' energy: -122.157 flat angles P-C4'-P energy: -78.074 tors. eta vs tors. theta energy: -72.693 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: 2 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1202.300968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.300968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.300968 (E_RNA) where: Base-Base interactions energy: -742.167 where: short stacking energy: -331.345 Base-Backbone interact. energy: -0.674 local terms energy: -459.460406 where: bonds (distance) C4'-P energy: -119.501 bonds (distance) P-C4' energy: -125.639 flat angles C4'-P-C4' energy: -107.432 flat angles P-C4'-P energy: -72.228 tors. eta vs tors. theta energy: -34.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -877.933887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.933887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.933887 (E_RNA) where: Base-Base interactions energy: -458.314 where: short stacking energy: -240.041 Base-Backbone interact. energy: -1.798 local terms energy: -417.821979 where: bonds (distance) C4'-P energy: -100.014 bonds (distance) P-C4' energy: -107.737 flat angles C4'-P-C4' energy: -138.509 flat angles P-C4'-P energy: -68.504 tors. eta vs tors. theta energy: -3.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2553.851699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.851699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.851699 (E_RNA) where: Base-Base interactions energy: -1803.573 where: short stacking energy: -734.545 Base-Backbone interact. energy: 1.367 local terms energy: -751.645258 where: bonds (distance) C4'-P energy: -149.609 bonds (distance) P-C4' energy: -146.773 flat angles C4'-P-C4' energy: -162.711 flat angles P-C4'-P energy: -95.237 tors. eta vs tors. theta energy: -197.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2506.824109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.824109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.824109 (E_RNA) where: Base-Base interactions energy: -1723.525 where: short stacking energy: -766.488 Base-Backbone interact. energy: -2.942 local terms energy: -780.356672 where: bonds (distance) C4'-P energy: -135.838 bonds (distance) P-C4' energy: -152.198 flat angles C4'-P-C4' energy: -164.596 flat angles P-C4'-P energy: -101.697 tors. eta vs tors. theta energy: -226.028 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: 4 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2335.182064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.182064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.182064 (E_RNA) where: Base-Base interactions energy: -1584.450 where: short stacking energy: -716.140 Base-Backbone interact. energy: -3.103 local terms energy: -747.628884 where: bonds (distance) C4'-P energy: -144.958 bonds (distance) P-C4' energy: -148.491 flat angles C4'-P-C4' energy: -159.017 flat angles P-C4'-P energy: -87.535 tors. eta vs tors. theta energy: -207.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2221.700367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.700367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.700367 (E_RNA) where: Base-Base interactions energy: -1499.832 where: short stacking energy: -630.211 Base-Backbone interact. energy: -1.984 local terms energy: -719.884844 where: bonds (distance) C4'-P energy: -144.456 bonds (distance) P-C4' energy: -145.252 flat angles C4'-P-C4' energy: -161.949 flat angles P-C4'-P energy: -90.052 tors. eta vs tors. theta energy: -178.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2005.249568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.249568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.249568 (E_RNA) where: Base-Base interactions energy: -1355.857 where: short stacking energy: -602.870 Base-Backbone interact. energy: -6.595 local terms energy: -642.797790 where: bonds (distance) C4'-P energy: -132.493 bonds (distance) P-C4' energy: -119.921 flat angles C4'-P-C4' energy: -142.653 flat angles P-C4'-P energy: -82.233 tors. eta vs tors. theta energy: -165.498 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: 6, replica: 7 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1883.988659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.988659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.988659 (E_RNA) where: Base-Base interactions energy: -1251.317 where: short stacking energy: -563.331 Base-Backbone interact. energy: -0.265 local terms energy: -632.406544 where: bonds (distance) C4'-P energy: -129.296 bonds (distance) P-C4' energy: -139.114 flat angles C4'-P-C4' energy: -136.146 flat angles P-C4'-P energy: -86.870 tors. eta vs tors. theta energy: -140.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1686.143990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.143990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.143990 (E_RNA) where: Base-Base interactions energy: -1093.776 where: short stacking energy: -470.164 Base-Backbone interact. energy: 1.311 local terms energy: -593.679051 where: bonds (distance) C4'-P energy: -127.179 bonds (distance) P-C4' energy: -128.334 flat angles C4'-P-C4' energy: -125.838 flat angles P-C4'-P energy: -92.210 tors. eta vs tors. theta energy: -120.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1407.627654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.627654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.627654 (E_RNA) where: Base-Base interactions energy: -878.399 where: short stacking energy: -391.888 Base-Backbone interact. energy: -0.863 local terms energy: -528.366387 where: bonds (distance) C4'-P energy: -123.353 bonds (distance) P-C4' energy: -121.307 flat angles C4'-P-C4' energy: -127.859 flat angles P-C4'-P energy: -82.155 tors. eta vs tors. theta energy: -73.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1117.722411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.722411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.722411 (E_RNA) where: Base-Base interactions energy: -679.572 where: short stacking energy: -302.840 Base-Backbone interact. energy: -1.452 local terms energy: -436.698294 where: bonds (distance) C4'-P energy: -127.450 bonds (distance) P-C4' energy: -118.354 flat angles C4'-P-C4' energy: -104.378 flat angles P-C4'-P energy: -66.093 tors. eta vs tors. theta energy: -20.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -886.029847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.029847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.029847 (E_RNA) where: Base-Base interactions energy: -486.945 where: short stacking energy: -238.178 Base-Backbone interact. energy: 0.241 local terms energy: -399.326584 where: bonds (distance) C4'-P energy: -109.693 bonds (distance) P-C4' energy: -108.870 flat angles C4'-P-C4' energy: -118.959 flat angles P-C4'-P energy: -59.396 tors. eta vs tors. theta energy: -2.408 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: 1, replica: 1 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2577.808735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.808735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.808735 (E_RNA) where: Base-Base interactions energy: -1823.412 where: short stacking energy: -745.125 Base-Backbone interact. energy: -1.315 local terms energy: -753.080972 where: bonds (distance) C4'-P energy: -147.438 bonds (distance) P-C4' energy: -145.113 flat angles C4'-P-C4' energy: -160.937 flat angles P-C4'-P energy: -104.671 tors. eta vs tors. theta energy: -194.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2519.622121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.622121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.622121 (E_RNA) where: Base-Base interactions energy: -1679.904 where: short stacking energy: -747.769 Base-Backbone interact. energy: -2.253 local terms energy: -837.464504 where: bonds (distance) C4'-P energy: -154.119 bonds (distance) P-C4' energy: -153.093 flat angles C4'-P-C4' energy: -179.422 flat angles P-C4'-P energy: -119.007 tors. eta vs tors. theta energy: -231.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2354.847524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.847524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.847524 (E_RNA) where: Base-Base interactions energy: -1591.054 where: short stacking energy: -695.901 Base-Backbone interact. energy: -2.975 local terms energy: -760.818058 where: bonds (distance) C4'-P energy: -145.518 bonds (distance) P-C4' energy: -132.698 flat angles C4'-P-C4' energy: -158.156 flat angles P-C4'-P energy: -118.896 tors. eta vs tors. theta energy: -205.549 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: 4, replica: 3 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2178.886059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.886059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.886059 (E_RNA) where: Base-Base interactions energy: -1491.023 where: short stacking energy: -657.843 Base-Backbone interact. energy: -1.987 local terms energy: -685.876190 where: bonds (distance) C4'-P energy: -94.626 bonds (distance) P-C4' energy: -151.957 flat angles C4'-P-C4' energy: -157.301 flat angles P-C4'-P energy: -90.628 tors. eta vs tors. theta energy: -191.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2043.957532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.957532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.957532 (E_RNA) where: Base-Base interactions energy: -1362.786 where: short stacking energy: -591.906 Base-Backbone interact. energy: -0.483 local terms energy: -680.688850 where: bonds (distance) C4'-P energy: -139.351 bonds (distance) P-C4' energy: -143.884 flat angles C4'-P-C4' energy: -149.714 flat angles P-C4'-P energy: -86.991 tors. eta vs tors. theta energy: -160.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1821.542811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.542811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.542811 (E_RNA) where: Base-Base interactions energy: -1185.632 where: short stacking energy: -548.944 Base-Backbone interact. energy: 1.809 local terms energy: -637.719975 where: bonds (distance) C4'-P energy: -113.878 bonds (distance) P-C4' energy: -132.502 flat angles C4'-P-C4' energy: -140.182 flat angles P-C4'-P energy: -94.938 tors. eta vs tors. theta energy: -156.220 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: 6 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1710.756850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.756850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.756850 (E_RNA) where: Base-Base interactions energy: -1125.049 where: short stacking energy: -524.218 Base-Backbone interact. energy: 0.363 local terms energy: -586.070921 where: bonds (distance) C4'-P energy: -130.862 bonds (distance) P-C4' energy: -150.793 flat angles C4'-P-C4' energy: -119.130 flat angles P-C4'-P energy: -73.174 tors. eta vs tors. theta energy: -112.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1480.991155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.991155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.991155 (E_RNA) where: Base-Base interactions energy: -956.558 where: short stacking energy: -436.337 Base-Backbone interact. energy: -2.969 local terms energy: -521.464274 where: bonds (distance) C4'-P energy: -109.108 bonds (distance) P-C4' energy: -123.741 flat angles C4'-P-C4' energy: -134.196 flat angles P-C4'-P energy: -82.013 tors. eta vs tors. theta energy: -72.406 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: 2 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1198.960226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.960226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.960226 (E_RNA) where: Base-Base interactions energy: -703.452 where: short stacking energy: -333.020 Base-Backbone interact. energy: 9.563 local terms energy: -505.070603 where: bonds (distance) C4'-P energy: -104.029 bonds (distance) P-C4' energy: -142.340 flat angles C4'-P-C4' energy: -108.389 flat angles P-C4'-P energy: -88.184 tors. eta vs tors. theta energy: -62.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -887.737107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.737107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.737107 (E_RNA) where: Base-Base interactions energy: -498.601 where: short stacking energy: -298.343 Base-Backbone interact. energy: 0.785 local terms energy: -389.921558 where: bonds (distance) C4'-P energy: -116.754 bonds (distance) P-C4' energy: -89.005 flat angles C4'-P-C4' energy: -105.694 flat angles P-C4'-P energy: -57.461 tors. eta vs tors. theta energy: -21.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2605.493826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.493826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.493826 (E_RNA) where: Base-Base interactions energy: -1822.893 where: short stacking energy: -738.384 Base-Backbone interact. energy: 1.539 local terms energy: -784.139752 where: bonds (distance) C4'-P energy: -144.726 bonds (distance) P-C4' energy: -157.755 flat angles C4'-P-C4' energy: -175.949 flat angles P-C4'-P energy: -107.142 tors. eta vs tors. theta energy: -198.568 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: 8 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2485.608748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.608748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.608748 (E_RNA) where: Base-Base interactions energy: -1692.434 where: short stacking energy: -736.857 Base-Backbone interact. energy: -2.050 local terms energy: -791.124481 where: bonds (distance) C4'-P energy: -142.952 bonds (distance) P-C4' energy: -140.240 flat angles C4'-P-C4' energy: -164.209 flat angles P-C4'-P energy: -114.751 tors. eta vs tors. theta energy: -228.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2342.322115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.322115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.322115 (E_RNA) where: Base-Base interactions energy: -1604.689 where: short stacking energy: -699.199 Base-Backbone interact. energy: -6.052 local terms energy: -731.581566 where: bonds (distance) C4'-P energy: -127.952 bonds (distance) P-C4' energy: -151.756 flat angles C4'-P-C4' energy: -150.774 flat angles P-C4'-P energy: -109.566 tors. eta vs tors. theta energy: -191.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2122.559423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.559423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.559423 (E_RNA) where: Base-Base interactions energy: -1414.764 where: short stacking energy: -617.200 Base-Backbone interact. energy: 0.791 local terms energy: -708.586889 where: bonds (distance) C4'-P energy: -138.906 bonds (distance) P-C4' energy: -145.677 flat angles C4'-P-C4' energy: -154.664 flat angles P-C4'-P energy: -97.011 tors. eta vs tors. theta energy: -172.329 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: 10 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2099.142854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.142854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.142854 (E_RNA) where: Base-Base interactions energy: -1402.925 where: short stacking energy: -619.723 Base-Backbone interact. energy: -0.386 local terms energy: -695.831765 where: bonds (distance) C4'-P energy: -142.067 bonds (distance) P-C4' energy: -133.894 flat angles C4'-P-C4' energy: -146.100 flat angles P-C4'-P energy: -96.498 tors. eta vs tors. theta energy: -177.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1846.749463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.749463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.749463 (E_RNA) where: Base-Base interactions energy: -1225.368 where: short stacking energy: -546.769 Base-Backbone interact. energy: 0.586 local terms energy: -621.967410 where: bonds (distance) C4'-P energy: -130.437 bonds (distance) P-C4' energy: -118.523 flat angles C4'-P-C4' energy: -142.294 flat angles P-C4'-P energy: -92.085 tors. eta vs tors. theta energy: -138.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1682.698875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.698875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.698875 (E_RNA) where: Base-Base interactions energy: -1102.707 where: short stacking energy: -475.105 Base-Backbone interact. energy: -2.150 local terms energy: -577.842400 where: bonds (distance) C4'-P energy: -124.919 bonds (distance) P-C4' energy: -131.088 flat angles C4'-P-C4' energy: -133.007 flat angles P-C4'-P energy: -82.219 tors. eta vs tors. theta energy: -106.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1416.499303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.499303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.499303 (E_RNA) where: Base-Base interactions energy: -885.744 where: short stacking energy: -405.436 Base-Backbone interact. energy: -2.318 local terms energy: -528.436811 where: bonds (distance) C4'-P energy: -116.919 bonds (distance) P-C4' energy: -115.507 flat angles C4'-P-C4' energy: -145.122 flat angles P-C4'-P energy: -75.576 tors. eta vs tors. theta energy: -75.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1204.187406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.187406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.187406 (E_RNA) where: Base-Base interactions energy: -738.362 where: short stacking energy: -345.243 Base-Backbone interact. energy: 2.681 local terms energy: -468.506570 where: bonds (distance) C4'-P energy: -111.594 bonds (distance) P-C4' energy: -124.136 flat angles C4'-P-C4' energy: -122.058 flat angles P-C4'-P energy: -64.935 tors. eta vs tors. theta energy: -45.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -877.856132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.856132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.856132 (E_RNA) where: Base-Base interactions energy: -487.925 where: short stacking energy: -279.877 Base-Backbone interact. energy: -1.185 local terms energy: -388.746543 where: bonds (distance) C4'-P energy: -108.035 bonds (distance) P-C4' energy: -120.507 flat angles C4'-P-C4' energy: -95.361 flat angles P-C4'-P energy: -60.023 tors. eta vs tors. theta energy: -4.821 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: 1, replica: 1 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2595.126738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.126738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.126738 (E_RNA) where: Base-Base interactions energy: -1825.755 where: short stacking energy: -758.942 Base-Backbone interact. energy: -2.533 local terms energy: -766.838267 where: bonds (distance) C4'-P energy: -130.424 bonds (distance) P-C4' energy: -145.700 flat angles C4'-P-C4' energy: -177.199 flat angles P-C4'-P energy: -111.787 tors. eta vs tors. theta energy: -201.729 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: 2, replica: 8 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2535.373805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.373805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.373805 (E_RNA) where: Base-Base interactions energy: -1727.313 where: short stacking energy: -771.605 Base-Backbone interact. energy: -1.397 local terms energy: -806.664260 where: bonds (distance) C4'-P energy: -147.202 bonds (distance) P-C4' energy: -148.243 flat angles C4'-P-C4' energy: -169.824 flat angles P-C4'-P energy: -106.069 tors. eta vs tors. theta energy: -235.326 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: 3, replica: 4 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2350.774974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.774974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.774974 (E_RNA) where: Base-Base interactions energy: -1613.176 where: short stacking energy: -695.676 Base-Backbone interact. energy: -3.366 local terms energy: -734.232664 where: bonds (distance) C4'-P energy: -133.931 bonds (distance) P-C4' energy: -159.152 flat angles C4'-P-C4' energy: -145.212 flat angles P-C4'-P energy: -111.448 tors. eta vs tors. theta energy: -184.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2142.470224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.470224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.470224 (E_RNA) where: Base-Base interactions energy: -1418.820 where: short stacking energy: -628.673 Base-Backbone interact. energy: -1.259 local terms energy: -722.390961 where: bonds (distance) C4'-P energy: -144.498 bonds (distance) P-C4' energy: -147.565 flat angles C4'-P-C4' energy: -158.319 flat angles P-C4'-P energy: -94.439 tors. eta vs tors. theta energy: -177.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2073.420336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.420336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.420336 (E_RNA) where: Base-Base interactions energy: -1387.303 where: short stacking energy: -579.834 Base-Backbone interact. energy: 4.069 local terms energy: -690.185964 where: bonds (distance) C4'-P energy: -145.907 bonds (distance) P-C4' energy: -141.153 flat angles C4'-P-C4' energy: -150.494 flat angles P-C4'-P energy: -92.625 tors. eta vs tors. theta energy: -160.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1857.651838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.651838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.651838 (E_RNA) where: Base-Base interactions energy: -1239.467 where: short stacking energy: -560.679 Base-Backbone interact. energy: -1.886 local terms energy: -616.298777 where: bonds (distance) C4'-P energy: -119.555 bonds (distance) P-C4' energy: -120.453 flat angles C4'-P-C4' energy: -136.701 flat angles P-C4'-P energy: -103.206 tors. eta vs tors. theta energy: -136.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1589.328524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.328524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.328524 (E_RNA) where: Base-Base interactions energy: -1085.685 where: short stacking energy: -469.504 Base-Backbone interact. energy: 5.095 local terms energy: -508.738485 where: bonds (distance) C4'-P energy: -105.963 bonds (distance) P-C4' energy: -117.228 flat angles C4'-P-C4' energy: -110.900 flat angles P-C4'-P energy: -79.522 tors. eta vs tors. theta energy: -95.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1463.276890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.276890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.276890 (E_RNA) where: Base-Base interactions energy: -916.343 where: short stacking energy: -445.417 Base-Backbone interact. energy: -0.297 local terms energy: -546.637655 where: bonds (distance) C4'-P energy: -116.829 bonds (distance) P-C4' energy: -133.944 flat angles C4'-P-C4' energy: -137.010 flat angles P-C4'-P energy: -63.122 tors. eta vs tors. theta energy: -95.732 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: 2 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1267.685206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.685206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.685206 (E_RNA) where: Base-Base interactions energy: -753.117 where: short stacking energy: -346.703 Base-Backbone interact. energy: -0.693 local terms energy: -513.875428 where: bonds (distance) C4'-P energy: -124.347 bonds (distance) P-C4' energy: -125.884 flat angles C4'-P-C4' energy: -123.101 flat angles P-C4'-P energy: -76.146 tors. eta vs tors. theta energy: -64.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -923.390340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.390340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.390340 (E_RNA) where: Base-Base interactions energy: -497.822 where: short stacking energy: -245.558 Base-Backbone interact. energy: 9.631 local terms energy: -435.200275 where: bonds (distance) C4'-P energy: -116.009 bonds (distance) P-C4' energy: -128.061 flat angles C4'-P-C4' energy: -118.053 flat angles P-C4'-P energy: -59.823 tors. eta vs tors. theta energy: -13.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2567.518367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.518367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.518367 (E_RNA) where: Base-Base interactions energy: -1793.092 where: short stacking energy: -737.250 Base-Backbone interact. energy: -0.680 local terms energy: -773.745718 where: bonds (distance) C4'-P energy: -145.275 bonds (distance) P-C4' energy: -143.632 flat angles C4'-P-C4' energy: -170.401 flat angles P-C4'-P energy: -105.662 tors. eta vs tors. theta energy: -208.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2518.927407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.927407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.927407 (E_RNA) where: Base-Base interactions energy: -1713.141 where: short stacking energy: -731.053 Base-Backbone interact. energy: -2.770 local terms energy: -803.016529 where: bonds (distance) C4'-P energy: -147.591 bonds (distance) P-C4' energy: -149.999 flat angles C4'-P-C4' energy: -165.747 flat angles P-C4'-P energy: -116.350 tors. eta vs tors. theta energy: -223.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2366.311098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.311098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.311098 (E_RNA) where: Base-Base interactions energy: -1598.805 where: short stacking energy: -700.595 Base-Backbone interact. energy: -4.367 local terms energy: -763.139157 where: bonds (distance) C4'-P energy: -131.060 bonds (distance) P-C4' energy: -162.446 flat angles C4'-P-C4' energy: -164.936 flat angles P-C4'-P energy: -108.268 tors. eta vs tors. theta energy: -196.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2224.153925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.153925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.153925 (E_RNA) where: Base-Base interactions energy: -1495.656 where: short stacking energy: -663.479 Base-Backbone interact. energy: -2.634 local terms energy: -725.864240 where: bonds (distance) C4'-P energy: -136.752 bonds (distance) P-C4' energy: -142.274 flat angles C4'-P-C4' energy: -155.972 flat angles P-C4'-P energy: -100.221 tors. eta vs tors. theta energy: -190.645 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: 3 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1991.238982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.238982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.238982 (E_RNA) where: Base-Base interactions energy: -1357.906 where: short stacking energy: -568.754 Base-Backbone interact. energy: -0.253 local terms energy: -633.079651 where: bonds (distance) C4'-P energy: -127.972 bonds (distance) P-C4' energy: -131.192 flat angles C4'-P-C4' energy: -134.905 flat angles P-C4'-P energy: -89.601 tors. eta vs tors. theta energy: -149.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1863.374095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.374095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.374095 (E_RNA) where: Base-Base interactions energy: -1229.429 where: short stacking energy: -560.061 Base-Backbone interact. energy: -1.615 local terms energy: -632.329825 where: bonds (distance) C4'-P energy: -104.963 bonds (distance) P-C4' energy: -136.615 flat angles C4'-P-C4' energy: -153.606 flat angles P-C4'-P energy: -102.056 tors. eta vs tors. theta energy: -135.090 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: 7, replica: 6 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1567.582589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.582589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.582589 (E_RNA) where: Base-Base interactions energy: -977.084 where: short stacking energy: -442.910 Base-Backbone interact. energy: 2.820 local terms energy: -593.317972 where: bonds (distance) C4'-P energy: -129.189 bonds (distance) P-C4' energy: -135.987 flat angles C4'-P-C4' energy: -154.942 flat angles P-C4'-P energy: -69.067 tors. eta vs tors. theta energy: -104.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1449.160033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.160033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.160033 (E_RNA) where: Base-Base interactions energy: -918.827 where: short stacking energy: -445.475 Base-Backbone interact. energy: -1.118 local terms energy: -529.215002 where: bonds (distance) C4'-P energy: -118.960 bonds (distance) P-C4' energy: -128.154 flat angles C4'-P-C4' energy: -114.850 flat angles P-C4'-P energy: -64.268 tors. eta vs tors. theta energy: -102.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1234.123125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.123125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.123125 (E_RNA) where: Base-Base interactions energy: -736.017 where: short stacking energy: -348.867 Base-Backbone interact. energy: 1.437 local terms energy: -499.543415 where: bonds (distance) C4'-P energy: -124.520 bonds (distance) P-C4' energy: -131.872 flat angles C4'-P-C4' energy: -116.902 flat angles P-C4'-P energy: -71.006 tors. eta vs tors. theta energy: -55.243 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: 5 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -859.427052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.427052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.427052 (E_RNA) where: Base-Base interactions energy: -478.016 where: short stacking energy: -249.983 Base-Backbone interact. energy: 3.229 local terms energy: -384.640404 where: bonds (distance) C4'-P energy: -96.340 bonds (distance) P-C4' energy: -123.140 flat angles C4'-P-C4' energy: -112.928 flat angles P-C4'-P energy: -40.698 tors. eta vs tors. theta energy: -11.534 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: 1 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2603.333217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.333217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.333217 (E_RNA) where: Base-Base interactions energy: -1782.940 where: short stacking energy: -738.008 Base-Backbone interact. energy: -0.190 local terms energy: -820.203071 where: bonds (distance) C4'-P energy: -159.837 bonds (distance) P-C4' energy: -156.853 flat angles C4'-P-C4' energy: -168.058 flat angles P-C4'-P energy: -126.825 tors. eta vs tors. theta energy: -208.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2531.004473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.004473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.004473 (E_RNA) where: Base-Base interactions energy: -1722.629 where: short stacking energy: -767.632 Base-Backbone interact. energy: -4.171 local terms energy: -804.204278 where: bonds (distance) C4'-P energy: -152.512 bonds (distance) P-C4' energy: -127.498 flat angles C4'-P-C4' energy: -162.895 flat angles P-C4'-P energy: -128.053 tors. eta vs tors. theta energy: -233.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2337.167812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.167812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.167812 (E_RNA) where: Base-Base interactions energy: -1603.644 where: short stacking energy: -671.075 Base-Backbone interact. energy: -2.696 local terms energy: -730.827970 where: bonds (distance) C4'-P energy: -112.526 bonds (distance) P-C4' energy: -140.212 flat angles C4'-P-C4' energy: -156.033 flat angles P-C4'-P energy: -120.581 tors. eta vs tors. theta energy: -201.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2213.747116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.747116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.747116 (E_RNA) where: Base-Base interactions energy: -1488.510 where: short stacking energy: -672.872 Base-Backbone interact. energy: -2.430 local terms energy: -722.806937 where: bonds (distance) C4'-P energy: -132.310 bonds (distance) P-C4' energy: -151.634 flat angles C4'-P-C4' energy: -148.642 flat angles P-C4'-P energy: -102.099 tors. eta vs tors. theta energy: -188.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1963.744678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.744678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.744678 (E_RNA) where: Base-Base interactions energy: -1301.641 where: short stacking energy: -555.576 Base-Backbone interact. energy: 1.207 local terms energy: -663.311164 where: bonds (distance) C4'-P energy: -130.463 bonds (distance) P-C4' energy: -140.936 flat angles C4'-P-C4' energy: -137.082 flat angles P-C4'-P energy: -100.879 tors. eta vs tors. theta energy: -153.952 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: 7 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1841.663307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.663307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.663307 (E_RNA) where: Base-Base interactions energy: -1233.997 where: short stacking energy: -560.228 Base-Backbone interact. energy: -2.851 local terms energy: -604.815516 where: bonds (distance) C4'-P energy: -120.170 bonds (distance) P-C4' energy: -106.668 flat angles C4'-P-C4' energy: -146.016 flat angles P-C4'-P energy: -95.593 tors. eta vs tors. theta energy: -136.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1573.099178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.099178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.099178 (E_RNA) where: Base-Base interactions energy: -1036.024 where: short stacking energy: -462.675 Base-Backbone interact. energy: 1.467 local terms energy: -538.541956 where: bonds (distance) C4'-P energy: -113.578 bonds (distance) P-C4' energy: -124.940 flat angles C4'-P-C4' energy: -135.645 flat angles P-C4'-P energy: -68.391 tors. eta vs tors. theta energy: -95.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1409.252052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.252052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.252052 (E_RNA) where: Base-Base interactions energy: -908.141 where: short stacking energy: -420.193 Base-Backbone interact. energy: 4.796 local terms energy: -505.906774 where: bonds (distance) C4'-P energy: -124.657 bonds (distance) P-C4' energy: -121.989 flat angles C4'-P-C4' energy: -110.319 flat angles P-C4'-P energy: -69.585 tors. eta vs tors. theta energy: -79.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1214.035981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.035981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.035981 (E_RNA) where: Base-Base interactions energy: -738.619 where: short stacking energy: -350.949 Base-Backbone interact. energy: 0.458 local terms energy: -475.874841 where: bonds (distance) C4'-P energy: -116.115 bonds (distance) P-C4' energy: -121.751 flat angles C4'-P-C4' energy: -107.967 flat angles P-C4'-P energy: -66.076 tors. eta vs tors. theta energy: -63.965 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: 5 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -850.344820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.344820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.344820 (E_RNA) where: Base-Base interactions energy: -476.102 where: short stacking energy: -238.004 Base-Backbone interact. energy: 2.578 local terms energy: -376.821027 where: bonds (distance) C4'-P energy: -117.197 bonds (distance) P-C4' energy: -120.560 flat angles C4'-P-C4' energy: -88.217 flat angles P-C4'-P energy: -45.407 tors. eta vs tors. theta energy: -5.441 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: 1, replica: 1 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2577.288819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.288819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.288819 (E_RNA) where: Base-Base interactions energy: -1790.178 where: short stacking energy: -764.821 Base-Backbone interact. energy: -0.892 local terms energy: -786.218023 where: bonds (distance) C4'-P energy: -150.675 bonds (distance) P-C4' energy: -142.815 flat angles C4'-P-C4' energy: -165.015 flat angles P-C4'-P energy: -116.975 tors. eta vs tors. theta energy: -210.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2541.535722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.535722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.535722 (E_RNA) where: Base-Base interactions energy: -1755.078 where: short stacking energy: -778.648 Base-Backbone interact. energy: -0.701 local terms energy: -785.756349 where: bonds (distance) C4'-P energy: -134.429 bonds (distance) P-C4' energy: -141.550 flat angles C4'-P-C4' energy: -169.507 flat angles P-C4'-P energy: -112.235 tors. eta vs tors. theta energy: -228.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2363.396840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.396840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.396840 (E_RNA) where: Base-Base interactions energy: -1588.524 where: short stacking energy: -685.994 Base-Backbone interact. energy: -4.385 local terms energy: -770.488321 where: bonds (distance) C4'-P energy: -153.079 bonds (distance) P-C4' energy: -145.749 flat angles C4'-P-C4' energy: -155.807 flat angles P-C4'-P energy: -110.569 tors. eta vs tors. theta energy: -205.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2205.151020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.151020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.151020 (E_RNA) where: Base-Base interactions energy: -1479.195 where: short stacking energy: -666.050 Base-Backbone interact. energy: -5.613 local terms energy: -720.343682 where: bonds (distance) C4'-P energy: -143.356 bonds (distance) P-C4' energy: -150.110 flat angles C4'-P-C4' energy: -135.525 flat angles P-C4'-P energy: -91.312 tors. eta vs tors. theta energy: -200.040 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: 3 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1988.067252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.067252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.067252 (E_RNA) where: Base-Base interactions energy: -1322.594 where: short stacking energy: -557.947 Base-Backbone interact. energy: -3.397 local terms energy: -662.076016 where: bonds (distance) C4'-P energy: -138.920 bonds (distance) P-C4' energy: -134.079 flat angles C4'-P-C4' energy: -149.630 flat angles P-C4'-P energy: -98.543 tors. eta vs tors. theta energy: -140.904 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: 7 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1861.088992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.088992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.088992 (E_RNA) where: Base-Base interactions energy: -1235.796 where: short stacking energy: -570.699 Base-Backbone interact. energy: 0.996 local terms energy: -626.288097 where: bonds (distance) C4'-P energy: -123.199 bonds (distance) P-C4' energy: -125.149 flat angles C4'-P-C4' energy: -147.015 flat angles P-C4'-P energy: -82.235 tors. eta vs tors. theta energy: -148.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1614.144752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.144752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.144752 (E_RNA) where: Base-Base interactions energy: -1045.950 where: short stacking energy: -475.365 Base-Backbone interact. energy: -2.842 local terms energy: -565.352816 where: bonds (distance) C4'-P energy: -104.195 bonds (distance) P-C4' energy: -122.547 flat angles C4'-P-C4' energy: -140.333 flat angles P-C4'-P energy: -86.685 tors. eta vs tors. theta energy: -111.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1445.151508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.151508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.151508 (E_RNA) where: Base-Base interactions energy: -934.149 where: short stacking energy: -413.863 Base-Backbone interact. energy: -1.526 local terms energy: -509.476682 where: bonds (distance) C4'-P energy: -109.071 bonds (distance) P-C4' energy: -124.696 flat angles C4'-P-C4' energy: -133.569 flat angles P-C4'-P energy: -49.036 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: 9, replica: 2 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1208.829650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.829650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.829650 (E_RNA) where: Base-Base interactions energy: -739.088 where: short stacking energy: -351.193 Base-Backbone interact. energy: 0.419 local terms energy: -470.160841 where: bonds (distance) C4'-P energy: -106.253 bonds (distance) P-C4' energy: -132.848 flat angles C4'-P-C4' energy: -123.398 flat angles P-C4'-P energy: -69.437 tors. eta vs tors. theta energy: -38.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -972.139781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.139781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.139781 (E_RNA) where: Base-Base interactions energy: -546.884 where: short stacking energy: -282.146 Base-Backbone interact. energy: -1.280 local terms energy: -423.975452 where: bonds (distance) C4'-P energy: -113.101 bonds (distance) P-C4' energy: -114.024 flat angles C4'-P-C4' energy: -96.830 flat angles P-C4'-P energy: -68.832 tors. eta vs tors. theta energy: -31.188 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: 1 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2600.862840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.862840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.862840 (E_RNA) where: Base-Base interactions energy: -1827.133 where: short stacking energy: -775.390 Base-Backbone interact. energy: -3.263 local terms energy: -770.467051 where: bonds (distance) C4'-P energy: -143.771 bonds (distance) P-C4' energy: -143.439 flat angles C4'-P-C4' energy: -169.429 flat angles P-C4'-P energy: -112.380 tors. eta vs tors. theta energy: -201.448 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: 8 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2493.873728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.873728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.873728 (E_RNA) where: Base-Base interactions energy: -1701.195 where: short stacking energy: -750.024 Base-Backbone interact. energy: -0.036 local terms energy: -792.642492 where: bonds (distance) C4'-P energy: -150.124 bonds (distance) P-C4' energy: -143.081 flat angles C4'-P-C4' energy: -162.437 flat angles P-C4'-P energy: -110.790 tors. eta vs tors. theta energy: -226.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2355.487232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.487232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.487232 (E_RNA) where: Base-Base interactions energy: -1666.097 where: short stacking energy: -689.025 Base-Backbone interact. energy: -0.857 local terms energy: -688.533481 where: bonds (distance) C4'-P energy: -134.036 bonds (distance) P-C4' energy: -120.068 flat angles C4'-P-C4' energy: -134.847 flat angles P-C4'-P energy: -101.479 tors. eta vs tors. theta energy: -198.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2217.527603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.527603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.527603 (E_RNA) where: Base-Base interactions energy: -1521.125 where: short stacking energy: -685.097 Base-Backbone interact. energy: -4.499 local terms energy: -691.903493 where: bonds (distance) C4'-P energy: -132.363 bonds (distance) P-C4' energy: -137.367 flat angles C4'-P-C4' energy: -142.845 flat angles P-C4'-P energy: -88.825 tors. eta vs tors. theta energy: -190.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2056.916072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.916072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.916072 (E_RNA) where: Base-Base interactions energy: -1378.419 where: short stacking energy: -600.991 Base-Backbone interact. energy: -4.568 local terms energy: -673.928642 where: bonds (distance) C4'-P energy: -132.084 bonds (distance) P-C4' energy: -126.384 flat angles C4'-P-C4' energy: -148.086 flat angles P-C4'-P energy: -91.839 tors. eta vs tors. theta energy: -175.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1872.796055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.796055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.796055 (E_RNA) where: Base-Base interactions energy: -1231.870 where: short stacking energy: -554.710 Base-Backbone interact. energy: 4.655 local terms energy: -645.581559 where: bonds (distance) C4'-P energy: -120.585 bonds (distance) P-C4' energy: -134.848 flat angles C4'-P-C4' energy: -153.150 flat angles P-C4'-P energy: -90.532 tors. eta vs tors. theta energy: -146.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1596.628662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.628662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.628662 (E_RNA) where: Base-Base interactions energy: -1035.036 where: short stacking energy: -449.964 Base-Backbone interact. energy: -2.468 local terms energy: -559.124741 where: bonds (distance) C4'-P energy: -111.152 bonds (distance) P-C4' energy: -132.766 flat angles C4'-P-C4' energy: -152.528 flat angles P-C4'-P energy: -74.429 tors. eta vs tors. theta energy: -88.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1458.152685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.152685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.152685 (E_RNA) where: Base-Base interactions energy: -914.268 where: short stacking energy: -430.766 Base-Backbone interact. energy: 0.278 local terms energy: -544.162776 where: bonds (distance) C4'-P energy: -122.574 bonds (distance) P-C4' energy: -135.294 flat angles C4'-P-C4' energy: -124.787 flat angles P-C4'-P energy: -74.112 tors. eta vs tors. theta energy: -87.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1224.195643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.195643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.195643 (E_RNA) where: Base-Base interactions energy: -734.775 where: short stacking energy: -355.575 Base-Backbone interact. energy: 1.672 local terms energy: -491.092020 where: bonds (distance) C4'-P energy: -133.414 bonds (distance) P-C4' energy: -103.922 flat angles C4'-P-C4' energy: -124.837 flat angles P-C4'-P energy: -81.671 tors. eta vs tors. theta energy: -47.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -1009.862786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.862786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.862786 (E_RNA) where: Base-Base interactions energy: -578.151 where: short stacking energy: -304.006 Base-Backbone interact. energy: 3.673 local terms energy: -435.384578 where: bonds (distance) C4'-P energy: -116.518 bonds (distance) P-C4' energy: -109.812 flat angles C4'-P-C4' energy: -97.212 flat angles P-C4'-P energy: -83.255 tors. eta vs tors. theta energy: -28.588 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: 138 Temperature: 0.900000 Total energy: -2625.104489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.104489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.104489 (E_RNA) where: Base-Base interactions energy: -1858.531 where: short stacking energy: -767.203 Base-Backbone interact. energy: -4.676 local terms energy: -761.897859 where: bonds (distance) C4'-P energy: -141.802 bonds (distance) P-C4' energy: -140.409 flat angles C4'-P-C4' energy: -156.617 flat angles P-C4'-P energy: -113.881 tors. eta vs tors. theta energy: -209.188 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: 8 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2537.126168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.126168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.126168 (E_RNA) where: Base-Base interactions energy: -1728.578 where: short stacking energy: -760.008 Base-Backbone interact. energy: -2.998 local terms energy: -805.550277 where: bonds (distance) C4'-P energy: -157.923 bonds (distance) P-C4' energy: -144.456 flat angles C4'-P-C4' energy: -168.913 flat angles P-C4'-P energy: -113.463 tors. eta vs tors. theta energy: -220.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2352.875634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.875634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.875634 (E_RNA) where: Base-Base interactions energy: -1632.129 where: short stacking energy: -696.485 Base-Backbone interact. energy: -0.317 local terms energy: -720.428872 where: bonds (distance) C4'-P energy: -146.722 bonds (distance) P-C4' energy: -145.609 flat angles C4'-P-C4' energy: -153.776 flat angles P-C4'-P energy: -98.459 tors. eta vs tors. theta energy: -175.862 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: 10 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2157.916361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.916361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.916361 (E_RNA) where: Base-Base interactions energy: -1442.863 where: short stacking energy: -660.746 Base-Backbone interact. energy: -2.452 local terms energy: -712.601534 where: bonds (distance) C4'-P energy: -129.116 bonds (distance) P-C4' energy: -138.816 flat angles C4'-P-C4' energy: -159.837 flat angles P-C4'-P energy: -102.196 tors. eta vs tors. theta energy: -182.638 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: 3 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2080.308184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.308184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.308184 (E_RNA) where: Base-Base interactions energy: -1423.766 where: short stacking energy: -612.692 Base-Backbone interact. energy: 12.353 local terms energy: -668.895689 where: bonds (distance) C4'-P energy: -119.102 bonds (distance) P-C4' energy: -139.265 flat angles C4'-P-C4' energy: -161.595 flat angles P-C4'-P energy: -88.811 tors. eta vs tors. theta energy: -160.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1889.921103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.921103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.921103 (E_RNA) where: Base-Base interactions energy: -1268.052 where: short stacking energy: -549.076 Base-Backbone interact. energy: -0.797 local terms energy: -621.072177 where: bonds (distance) C4'-P energy: -121.478 bonds (distance) P-C4' energy: -132.461 flat angles C4'-P-C4' energy: -138.986 flat angles P-C4'-P energy: -83.579 tors. eta vs tors. theta energy: -144.567 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: 7, replica: 6 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1628.839424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.839424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.839424 (E_RNA) where: Base-Base interactions energy: -1079.551 where: short stacking energy: -467.263 Base-Backbone interact. energy: 1.148 local terms energy: -550.436383 where: bonds (distance) C4'-P energy: -127.892 bonds (distance) P-C4' energy: -136.903 flat angles C4'-P-C4' energy: -126.854 flat angles P-C4'-P energy: -64.105 tors. eta vs tors. theta energy: -94.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1500.305337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.305337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.305337 (E_RNA) where: Base-Base interactions energy: -968.792 where: short stacking energy: -437.452 Base-Backbone interact. energy: -0.893 local terms energy: -530.620323 where: bonds (distance) C4'-P energy: -99.973 bonds (distance) P-C4' energy: -122.767 flat angles C4'-P-C4' energy: -131.281 flat angles P-C4'-P energy: -88.151 tors. eta vs tors. theta energy: -88.448 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: 2 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1188.983891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.983891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.983891 (E_RNA) where: Base-Base interactions energy: -696.500 where: short stacking energy: -312.645 Base-Backbone interact. energy: -1.937 local terms energy: -490.546364 where: bonds (distance) C4'-P energy: -136.365 bonds (distance) P-C4' energy: -124.855 flat angles C4'-P-C4' energy: -125.803 flat angles P-C4'-P energy: -66.460 tors. eta vs tors. theta energy: -37.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -1001.848002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.848002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.848002 (E_RNA) where: Base-Base interactions energy: -548.674 where: short stacking energy: -267.458 Base-Backbone interact. energy: -1.073 local terms energy: -452.100454 where: bonds (distance) C4'-P energy: -114.414 bonds (distance) P-C4' energy: -131.053 flat angles C4'-P-C4' energy: -106.644 flat angles P-C4'-P energy: -83.419 tors. eta vs tors. theta energy: -16.571 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: 1 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2614.174173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.174173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.174173 (E_RNA) where: Base-Base interactions energy: -1840.791 where: short stacking energy: -756.445 Base-Backbone interact. energy: -5.532 local terms energy: -767.851063 where: bonds (distance) C4'-P energy: -151.413 bonds (distance) P-C4' energy: -153.066 flat angles C4'-P-C4' energy: -158.101 flat angles P-C4'-P energy: -99.091 tors. eta vs tors. theta energy: -206.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2534.029190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.029190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.029190 (E_RNA) where: Base-Base interactions energy: -1733.163 where: short stacking energy: -744.826 Base-Backbone interact. energy: -1.326 local terms energy: -799.539630 where: bonds (distance) C4'-P energy: -135.973 bonds (distance) P-C4' energy: -159.968 flat angles C4'-P-C4' energy: -160.594 flat angles P-C4'-P energy: -113.667 tors. eta vs tors. theta energy: -229.337 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: 4 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2319.677239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.677239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.677239 (E_RNA) where: Base-Base interactions energy: -1566.088 where: short stacking energy: -693.072 Base-Backbone interact. energy: 0.272 local terms energy: -753.860749 where: bonds (distance) C4'-P energy: -153.139 bonds (distance) P-C4' energy: -139.385 flat angles C4'-P-C4' energy: -156.678 flat angles P-C4'-P energy: -106.984 tors. eta vs tors. theta energy: -197.675 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: 10 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2206.366111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.366111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.366111 (E_RNA) where: Base-Base interactions energy: -1507.255 where: short stacking energy: -674.984 Base-Backbone interact. energy: 2.155 local terms energy: -701.266666 where: bonds (distance) C4'-P energy: -126.019 bonds (distance) P-C4' energy: -130.378 flat angles C4'-P-C4' energy: -155.387 flat angles P-C4'-P energy: -90.610 tors. eta vs tors. theta energy: -198.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2080.782667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.782667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.782667 (E_RNA) where: Base-Base interactions energy: -1407.736 where: short stacking energy: -620.182 Base-Backbone interact. energy: 3.495 local terms energy: -676.541604 where: bonds (distance) C4'-P energy: -129.424 bonds (distance) P-C4' energy: -141.321 flat angles C4'-P-C4' energy: -141.999 flat angles P-C4'-P energy: -102.024 tors. eta vs tors. theta energy: -161.773 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: 7 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1868.688234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.688234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.688234 (E_RNA) where: Base-Base interactions energy: -1265.758 where: short stacking energy: -563.977 Base-Backbone interact. energy: -1.612 local terms energy: -601.318360 where: bonds (distance) C4'-P energy: -111.893 bonds (distance) P-C4' energy: -116.077 flat angles C4'-P-C4' energy: -139.168 flat angles P-C4'-P energy: -88.029 tors. eta vs tors. theta energy: -146.150 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: 6 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1609.909033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.909033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.909033 (E_RNA) where: Base-Base interactions energy: -1041.595 where: short stacking energy: -450.996 Base-Backbone interact. energy: -5.681 local terms energy: -562.632954 where: bonds (distance) C4'-P energy: -131.702 bonds (distance) P-C4' energy: -132.444 flat angles C4'-P-C4' energy: -132.935 flat angles P-C4'-P energy: -81.318 tors. eta vs tors. theta energy: -84.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1422.946714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.946714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.946714 (E_RNA) where: Base-Base interactions energy: -919.033 where: short stacking energy: -426.055 Base-Backbone interact. energy: -0.245 local terms energy: -503.669327 where: bonds (distance) C4'-P energy: -101.261 bonds (distance) P-C4' energy: -118.459 flat angles C4'-P-C4' energy: -114.868 flat angles P-C4'-P energy: -87.846 tors. eta vs tors. theta energy: -81.235 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: 2 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1185.186708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.186708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.186708 (E_RNA) where: Base-Base interactions energy: -710.632 where: short stacking energy: -312.952 Base-Backbone interact. energy: -4.626 local terms energy: -469.928724 where: bonds (distance) C4'-P energy: -119.564 bonds (distance) P-C4' energy: -145.305 flat angles C4'-P-C4' energy: -108.453 flat angles P-C4'-P energy: -76.119 tors. eta vs tors. theta energy: -20.487 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: 5 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -1062.486096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.486096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.486096 (E_RNA) where: Base-Base interactions energy: -625.045 where: short stacking energy: -308.558 Base-Backbone interact. energy: 1.255 local terms energy: -438.695354 where: bonds (distance) C4'-P energy: -123.863 bonds (distance) P-C4' energy: -112.524 flat angles C4'-P-C4' energy: -104.877 flat angles P-C4'-P energy: -58.929 tors. eta vs tors. theta energy: -38.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2629.370399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.370399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.370399 (E_RNA) where: Base-Base interactions energy: -1850.359 where: short stacking energy: -736.182 Base-Backbone interact. energy: -1.254 local terms energy: -777.756749 where: bonds (distance) C4'-P energy: -156.749 bonds (distance) P-C4' energy: -145.205 flat angles C4'-P-C4' energy: -166.816 flat angles P-C4'-P energy: -107.225 tors. eta vs tors. theta energy: -201.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2502.121924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.121924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.121924 (E_RNA) where: Base-Base interactions energy: -1709.706 where: short stacking energy: -742.030 Base-Backbone interact. energy: 0.569 local terms energy: -792.984580 where: bonds (distance) C4'-P energy: -137.664 bonds (distance) P-C4' energy: -160.367 flat angles C4'-P-C4' energy: -168.682 flat angles P-C4'-P energy: -94.716 tors. eta vs tors. theta energy: -231.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2333.676460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.676460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.676460 (E_RNA) where: Base-Base interactions energy: -1582.128 where: short stacking energy: -681.731 Base-Backbone interact. energy: -1.486 local terms energy: -750.062485 where: bonds (distance) C4'-P energy: -149.646 bonds (distance) P-C4' energy: -130.264 flat angles C4'-P-C4' energy: -153.690 flat angles P-C4'-P energy: -110.489 tors. eta vs tors. theta energy: -205.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2232.388274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.388274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.388274 (E_RNA) where: Base-Base interactions energy: -1525.036 where: short stacking energy: -679.777 Base-Backbone interact. energy: -3.540 local terms energy: -703.812195 where: bonds (distance) C4'-P energy: -124.222 bonds (distance) P-C4' energy: -131.100 flat angles C4'-P-C4' energy: -165.662 flat angles P-C4'-P energy: -87.075 tors. eta vs tors. theta energy: -195.753 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: 3 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2004.308454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.308454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.308454 (E_RNA) where: Base-Base interactions energy: -1362.321 where: short stacking energy: -592.950 Base-Backbone interact. energy: -1.346 local terms energy: -640.641302 where: bonds (distance) C4'-P energy: -128.231 bonds (distance) P-C4' energy: -131.186 flat angles C4'-P-C4' energy: -133.088 flat angles P-C4'-P energy: -88.065 tors. eta vs tors. theta energy: -160.071 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: 7 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1885.173673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.173673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.173673 (E_RNA) where: Base-Base interactions energy: -1272.745 where: short stacking energy: -558.310 Base-Backbone interact. energy: -0.767 local terms energy: -611.662264 where: bonds (distance) C4'-P energy: -109.739 bonds (distance) P-C4' energy: -116.977 flat angles C4'-P-C4' energy: -149.142 flat angles P-C4'-P energy: -85.810 tors. eta vs tors. theta energy: -149.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1603.565273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.565273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.565273 (E_RNA) where: Base-Base interactions energy: -1071.654 where: short stacking energy: -468.161 Base-Backbone interact. energy: -4.179 local terms energy: -527.731602 where: bonds (distance) C4'-P energy: -122.733 bonds (distance) P-C4' energy: -107.003 flat angles C4'-P-C4' energy: -119.050 flat angles P-C4'-P energy: -81.243 tors. eta vs tors. theta energy: -97.704 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: 8, replica: 9 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1399.930248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.930248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.930248 (E_RNA) where: Base-Base interactions energy: -870.825 where: short stacking energy: -409.244 Base-Backbone interact. energy: 0.488 local terms energy: -529.592748 where: bonds (distance) C4'-P energy: -117.644 bonds (distance) P-C4' energy: -108.415 flat angles C4'-P-C4' energy: -133.636 flat angles P-C4'-P energy: -92.272 tors. eta vs tors. theta energy: -77.625 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: 2 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1239.804162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.804162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.804162 (E_RNA) where: Base-Base interactions energy: -746.421 where: short stacking energy: -326.564 Base-Backbone interact. energy: 5.180 local terms energy: -498.563923 where: bonds (distance) C4'-P energy: -129.640 bonds (distance) P-C4' energy: -128.041 flat angles C4'-P-C4' energy: -112.739 flat angles P-C4'-P energy: -75.283 tors. eta vs tors. theta energy: -52.861 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: 5 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -1046.225415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.225415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.225415 (E_RNA) where: Base-Base interactions energy: -594.728 where: short stacking energy: -291.750 Base-Backbone interact. energy: -0.542 local terms energy: -450.954631 where: bonds (distance) C4'-P energy: -118.449 bonds (distance) P-C4' energy: -121.236 flat angles C4'-P-C4' energy: -102.753 flat angles P-C4'-P energy: -78.370 tors. eta vs tors. theta energy: -30.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2616.461052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.461052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.461052 (E_RNA) where: Base-Base interactions energy: -1839.821 where: short stacking energy: -756.976 Base-Backbone interact. energy: -3.087 local terms energy: -773.552234 where: bonds (distance) C4'-P energy: -134.554 bonds (distance) P-C4' energy: -154.576 flat angles C4'-P-C4' energy: -169.967 flat angles P-C4'-P energy: -107.367 tors. eta vs tors. theta energy: -207.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2485.245703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.245703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.245703 (E_RNA) where: Base-Base interactions energy: -1709.451 where: short stacking energy: -760.468 Base-Backbone interact. energy: -4.934 local terms energy: -770.860768 where: bonds (distance) C4'-P energy: -144.514 bonds (distance) P-C4' energy: -129.517 flat angles C4'-P-C4' energy: -165.391 flat angles P-C4'-P energy: -107.432 tors. eta vs tors. theta energy: -224.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2352.868632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.868632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.868632 (E_RNA) where: Base-Base interactions energy: -1619.016 where: short stacking energy: -687.093 Base-Backbone interact. energy: 3.652 local terms energy: -737.504957 where: bonds (distance) C4'-P energy: -133.296 bonds (distance) P-C4' energy: -127.551 flat angles C4'-P-C4' energy: -156.707 flat angles P-C4'-P energy: -116.887 tors. eta vs tors. theta energy: -203.065 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: 10 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2184.663184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.663184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.663184 (E_RNA) where: Base-Base interactions energy: -1453.683 where: short stacking energy: -654.876 Base-Backbone interact. energy: -1.541 local terms energy: -729.439171 where: bonds (distance) C4'-P energy: -144.359 bonds (distance) P-C4' energy: -134.252 flat angles C4'-P-C4' energy: -147.710 flat angles P-C4'-P energy: -112.010 tors. eta vs tors. theta energy: -191.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2000.789354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.789354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.789354 (E_RNA) where: Base-Base interactions energy: -1328.824 where: short stacking energy: -584.704 Base-Backbone interact. energy: -0.457 local terms energy: -671.508037 where: bonds (distance) C4'-P energy: -120.542 bonds (distance) P-C4' energy: -142.276 flat angles C4'-P-C4' energy: -158.141 flat angles P-C4'-P energy: -89.833 tors. eta vs tors. theta energy: -160.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1832.505282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.505282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.505282 (E_RNA) where: Base-Base interactions energy: -1222.822 where: short stacking energy: -527.569 Base-Backbone interact. energy: 1.685 local terms energy: -611.368182 where: bonds (distance) C4'-P energy: -133.585 bonds (distance) P-C4' energy: -125.428 flat angles C4'-P-C4' energy: -124.326 flat angles P-C4'-P energy: -86.401 tors. eta vs tors. theta energy: -141.627 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: 7, replica: 6 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1643.573294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.573294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.573294 (E_RNA) where: Base-Base interactions energy: -1051.116 where: short stacking energy: -463.177 Base-Backbone interact. energy: -0.404 local terms energy: -592.052941 where: bonds (distance) C4'-P energy: -108.323 bonds (distance) P-C4' energy: -145.264 flat angles C4'-P-C4' energy: -148.416 flat angles P-C4'-P energy: -82.566 tors. eta vs tors. theta energy: -107.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1380.233118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.233118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.233118 (E_RNA) where: Base-Base interactions energy: -832.276 where: short stacking energy: -393.843 Base-Backbone interact. energy: 5.133 local terms energy: -553.090395 where: bonds (distance) C4'-P energy: -124.348 bonds (distance) P-C4' energy: -114.277 flat angles C4'-P-C4' energy: -151.853 flat angles P-C4'-P energy: -84.450 tors. eta vs tors. theta energy: -78.162 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: 9, replica: 2 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1285.916459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.916459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.916459 (E_RNA) where: Base-Base interactions energy: -810.435 where: short stacking energy: -339.749 Base-Backbone interact. energy: 4.934 local terms energy: -480.415734 where: bonds (distance) C4'-P energy: -124.603 bonds (distance) P-C4' energy: -117.245 flat angles C4'-P-C4' energy: -119.296 flat angles P-C4'-P energy: -65.654 tors. eta vs tors. theta energy: -53.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -978.226739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.226739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.226739 (E_RNA) where: Base-Base interactions energy: -571.602 where: short stacking energy: -280.799 Base-Backbone interact. energy: -0.622 local terms energy: -406.002597 where: bonds (distance) C4'-P energy: -111.224 bonds (distance) P-C4' energy: -124.416 flat angles C4'-P-C4' energy: -101.104 flat angles P-C4'-P energy: -55.545 tors. eta vs tors. theta energy: -13.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2604.666062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.666062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.666062 (E_RNA) where: Base-Base interactions energy: -1819.057 where: short stacking energy: -751.930 Base-Backbone interact. energy: -4.102 local terms energy: -781.507037 where: bonds (distance) C4'-P energy: -147.231 bonds (distance) P-C4' energy: -142.819 flat angles C4'-P-C4' energy: -169.389 flat angles P-C4'-P energy: -111.375 tors. eta vs tors. theta energy: -210.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2477.945377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.945377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.945377 (E_RNA) where: Base-Base interactions energy: -1703.716 where: short stacking energy: -733.966 Base-Backbone interact. energy: -1.618 local terms energy: -772.610784 where: bonds (distance) C4'-P energy: -138.777 bonds (distance) P-C4' energy: -142.765 flat angles C4'-P-C4' energy: -159.319 flat angles P-C4'-P energy: -106.176 tors. eta vs tors. theta energy: -225.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2331.414492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.414492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.414492 (E_RNA) where: Base-Base interactions energy: -1589.650 where: short stacking energy: -664.449 Base-Backbone interact. energy: 2.567 local terms energy: -744.331631 where: bonds (distance) C4'-P energy: -152.705 bonds (distance) P-C4' energy: -135.711 flat angles C4'-P-C4' energy: -173.857 flat angles P-C4'-P energy: -95.008 tors. eta vs tors. theta energy: -187.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2177.009901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.009901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.009901 (E_RNA) where: Base-Base interactions energy: -1465.355 where: short stacking energy: -655.250 Base-Backbone interact. energy: -6.151 local terms energy: -705.503341 where: bonds (distance) C4'-P energy: -130.387 bonds (distance) P-C4' energy: -130.404 flat angles C4'-P-C4' energy: -157.484 flat angles P-C4'-P energy: -107.299 tors. eta vs tors. theta energy: -179.930 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: 3 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1973.169828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.169828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.169828 (E_RNA) where: Base-Base interactions energy: -1322.649 where: short stacking energy: -587.628 Base-Backbone interact. energy: 8.107 local terms energy: -658.626920 where: bonds (distance) C4'-P energy: -132.966 bonds (distance) P-C4' energy: -108.352 flat angles C4'-P-C4' energy: -158.995 flat angles P-C4'-P energy: -102.246 tors. eta vs tors. theta energy: -156.068 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: 7 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1903.708660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.708660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.708660 (E_RNA) where: Base-Base interactions energy: -1263.646 where: short stacking energy: -551.052 Base-Backbone interact. energy: -1.402 local terms energy: -638.661116 where: bonds (distance) C4'-P energy: -110.973 bonds (distance) P-C4' energy: -143.817 flat angles C4'-P-C4' energy: -150.267 flat angles P-C4'-P energy: -71.511 tors. eta vs tors. theta energy: -162.093 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: 7, replica: 6 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1584.008239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.008239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.008239 (E_RNA) where: Base-Base interactions energy: -1010.610 where: short stacking energy: -493.501 Base-Backbone interact. energy: -3.175 local terms energy: -570.222944 where: bonds (distance) C4'-P energy: -124.719 bonds (distance) P-C4' energy: -118.804 flat angles C4'-P-C4' energy: -133.751 flat angles P-C4'-P energy: -91.896 tors. eta vs tors. theta energy: -101.054 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: 9 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1285.867828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.867828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.867828 (E_RNA) where: Base-Base interactions energy: -780.085 where: short stacking energy: -380.463 Base-Backbone interact. energy: -0.133 local terms energy: -505.650269 where: bonds (distance) C4'-P energy: -115.555 bonds (distance) P-C4' energy: -114.428 flat angles C4'-P-C4' energy: -122.572 flat angles P-C4'-P energy: -76.536 tors. eta vs tors. theta energy: -76.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1265.240780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.240780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.240780 (E_RNA) where: Base-Base interactions energy: -769.253 where: short stacking energy: -355.295 Base-Backbone interact. energy: -5.011 local terms energy: -490.977045 where: bonds (distance) C4'-P energy: -119.043 bonds (distance) P-C4' energy: -143.226 flat angles C4'-P-C4' energy: -118.452 flat angles P-C4'-P energy: -50.050 tors. eta vs tors. theta energy: -60.205 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: 5 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -1031.007652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.007652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.007652 (E_RNA) where: Base-Base interactions energy: -608.706 where: short stacking energy: -295.085 Base-Backbone interact. energy: -1.338 local terms energy: -420.963792 where: bonds (distance) C4'-P energy: -108.227 bonds (distance) P-C4' energy: -123.770 flat angles C4'-P-C4' energy: -97.372 flat angles P-C4'-P energy: -58.528 tors. eta vs tors. theta energy: -33.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2631.598859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.598859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.598859 (E_RNA) where: Base-Base interactions energy: -1824.507 where: short stacking energy: -751.625 Base-Backbone interact. energy: -1.347 local terms energy: -805.745415 where: bonds (distance) C4'-P energy: -153.522 bonds (distance) P-C4' energy: -148.642 flat angles C4'-P-C4' energy: -166.223 flat angles P-C4'-P energy: -121.768 tors. eta vs tors. theta energy: -215.590 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: 8 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2457.844923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.844923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.844923 (E_RNA) where: Base-Base interactions energy: -1689.851 where: short stacking energy: -720.437 Base-Backbone interact. energy: -0.401 local terms energy: -767.593038 where: bonds (distance) C4'-P energy: -122.195 bonds (distance) P-C4' energy: -133.282 flat angles C4'-P-C4' energy: -184.862 flat angles P-C4'-P energy: -103.883 tors. eta vs tors. theta energy: -223.372 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: 4 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2387.602603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.602603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.602603 (E_RNA) where: Base-Base interactions energy: -1623.936 where: short stacking energy: -685.724 Base-Backbone interact. energy: -1.457 local terms energy: -762.209879 where: bonds (distance) C4'-P energy: -145.984 bonds (distance) P-C4' energy: -159.498 flat angles C4'-P-C4' energy: -162.523 flat angles P-C4'-P energy: -96.730 tors. eta vs tors. theta energy: -197.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2210.988979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.988979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.988979 (E_RNA) where: Base-Base interactions energy: -1499.871 where: short stacking energy: -669.553 Base-Backbone interact. energy: -1.300 local terms energy: -709.818108 where: bonds (distance) C4'-P energy: -125.938 bonds (distance) P-C4' energy: -136.609 flat angles C4'-P-C4' energy: -168.778 flat angles P-C4'-P energy: -91.715 tors. eta vs tors. theta energy: -186.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1936.883099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.883099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.883099 (E_RNA) where: Base-Base interactions energy: -1312.135 where: short stacking energy: -553.344 Base-Backbone interact. energy: -1.752 local terms energy: -622.996799 where: bonds (distance) C4'-P energy: -106.389 bonds (distance) P-C4' energy: -136.069 flat angles C4'-P-C4' energy: -149.485 flat angles P-C4'-P energy: -103.683 tors. eta vs tors. theta energy: -127.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1944.772654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.772654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.772654 (E_RNA) where: Base-Base interactions energy: -1299.243 where: short stacking energy: -562.157 Base-Backbone interact. energy: -3.299 local terms energy: -642.229756 where: bonds (distance) C4'-P energy: -124.014 bonds (distance) P-C4' energy: -122.276 flat angles C4'-P-C4' energy: -142.216 flat angles P-C4'-P energy: -93.842 tors. eta vs tors. theta energy: -159.881 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: 7, replica: 6 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1520.785972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.785972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.785972 (E_RNA) where: Base-Base interactions energy: -944.634 where: short stacking energy: -433.006 Base-Backbone interact. energy: -4.893 local terms energy: -571.259053 where: bonds (distance) C4'-P energy: -126.522 bonds (distance) P-C4' energy: -138.054 flat angles C4'-P-C4' energy: -133.621 flat angles P-C4'-P energy: -82.121 tors. eta vs tors. theta energy: -90.941 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: 8, replica: 9 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1356.092827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.092827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.092827 (E_RNA) where: Base-Base interactions energy: -840.724 where: short stacking energy: -396.351 Base-Backbone interact. energy: 0.676 local terms energy: -516.044466 where: bonds (distance) C4'-P energy: -122.889 bonds (distance) P-C4' energy: -132.756 flat angles C4'-P-C4' energy: -114.730 flat angles P-C4'-P energy: -83.829 tors. eta vs tors. theta energy: -61.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1268.126947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.126947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.126947 (E_RNA) where: Base-Base interactions energy: -780.347 where: short stacking energy: -333.786 Base-Backbone interact. energy: -1.054 local terms energy: -486.725229 where: bonds (distance) C4'-P energy: -114.417 bonds (distance) P-C4' energy: -142.827 flat angles C4'-P-C4' energy: -124.343 flat angles P-C4'-P energy: -58.659 tors. eta vs tors. theta energy: -46.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -996.040677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.040677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.040677 (E_RNA) where: Base-Base interactions energy: -553.795 where: short stacking energy: -274.531 Base-Backbone interact. energy: 7.059 local terms energy: -449.305123 where: bonds (distance) C4'-P energy: -112.424 bonds (distance) P-C4' energy: -141.727 flat angles C4'-P-C4' energy: -104.601 flat angles P-C4'-P energy: -68.072 tors. eta vs tors. theta energy: -22.482 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: 1, replica: 1 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2624.800131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.800131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.800131 (E_RNA) where: Base-Base interactions energy: -1815.287 where: short stacking energy: -758.560 Base-Backbone interact. energy: -2.811 local terms energy: -806.702131 where: bonds (distance) C4'-P energy: -158.198 bonds (distance) P-C4' energy: -148.614 flat angles C4'-P-C4' energy: -175.472 flat angles P-C4'-P energy: -108.629 tors. eta vs tors. theta energy: -215.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2473.397286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.397286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.397286 (E_RNA) where: Base-Base interactions energy: -1676.254 where: short stacking energy: -740.550 Base-Backbone interact. energy: -1.136 local terms energy: -796.007040 where: bonds (distance) C4'-P energy: -148.574 bonds (distance) P-C4' energy: -153.188 flat angles C4'-P-C4' energy: -167.051 flat angles P-C4'-P energy: -116.980 tors. eta vs tors. theta energy: -210.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2379.280323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.280323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.280323 (E_RNA) where: Base-Base interactions energy: -1630.717 where: short stacking energy: -702.644 Base-Backbone interact. energy: -4.515 local terms energy: -744.048422 where: bonds (distance) C4'-P energy: -139.905 bonds (distance) P-C4' energy: -147.453 flat angles C4'-P-C4' energy: -152.201 flat angles P-C4'-P energy: -108.775 tors. eta vs tors. theta energy: -195.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2212.558890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.558890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.558890 (E_RNA) where: Base-Base interactions energy: -1497.550 where: short stacking energy: -651.409 Base-Backbone interact. energy: -0.709 local terms energy: -714.299429 where: bonds (distance) C4'-P energy: -135.187 bonds (distance) P-C4' energy: -149.163 flat angles C4'-P-C4' energy: -149.415 flat angles P-C4'-P energy: -107.282 tors. eta vs tors. theta energy: -173.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1967.536253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.536253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.536253 (E_RNA) where: Base-Base interactions energy: -1294.197 where: short stacking energy: -563.230 Base-Backbone interact. energy: 5.208 local terms energy: -678.547061 where: bonds (distance) C4'-P energy: -140.216 bonds (distance) P-C4' energy: -141.930 flat angles C4'-P-C4' energy: -148.248 flat angles P-C4'-P energy: -96.450 tors. eta vs tors. theta energy: -151.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1921.189123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.189123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.189123 (E_RNA) where: Base-Base interactions energy: -1284.692 where: short stacking energy: -563.358 Base-Backbone interact. energy: -1.722 local terms energy: -634.774359 where: bonds (distance) C4'-P energy: -123.899 bonds (distance) P-C4' energy: -137.611 flat angles C4'-P-C4' energy: -140.383 flat angles P-C4'-P energy: -83.560 tors. eta vs tors. theta energy: -149.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1558.446696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.446696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.446696 (E_RNA) where: Base-Base interactions energy: -986.473 where: short stacking energy: -448.542 Base-Backbone interact. energy: -1.766 local terms energy: -570.208438 where: bonds (distance) C4'-P energy: -114.574 bonds (distance) P-C4' energy: -139.495 flat angles C4'-P-C4' energy: -125.242 flat angles P-C4'-P energy: -84.023 tors. eta vs tors. theta energy: -106.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1399.925147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.925147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.925147 (E_RNA) where: Base-Base interactions energy: -885.541 where: short stacking energy: -390.395 Base-Backbone interact. energy: -4.273 local terms energy: -510.110771 where: bonds (distance) C4'-P energy: -119.671 bonds (distance) P-C4' energy: -116.945 flat angles C4'-P-C4' energy: -123.208 flat angles P-C4'-P energy: -72.818 tors. eta vs tors. theta energy: -77.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1256.346765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.346765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.346765 (E_RNA) where: Base-Base interactions energy: -834.225 where: short stacking energy: -380.891 Base-Backbone interact. energy: 0.552 local terms energy: -422.673615 where: bonds (distance) C4'-P energy: -99.177 bonds (distance) P-C4' energy: -114.415 flat angles C4'-P-C4' energy: -103.517 flat angles P-C4'-P energy: -58.842 tors. eta vs tors. theta energy: -46.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -969.268397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.268397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.268397 (E_RNA) where: Base-Base interactions energy: -496.388 where: short stacking energy: -258.755 Base-Backbone interact. energy: -0.323 local terms energy: -472.557726 where: bonds (distance) C4'-P energy: -134.041 bonds (distance) P-C4' energy: -140.814 flat angles C4'-P-C4' energy: -104.277 flat angles P-C4'-P energy: -76.883 tors. eta vs tors. theta energy: -16.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2610.043556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.043556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.043556 (E_RNA) where: Base-Base interactions energy: -1833.222 where: short stacking energy: -765.265 Base-Backbone interact. energy: -2.500 local terms energy: -774.321836 where: bonds (distance) C4'-P energy: -147.153 bonds (distance) P-C4' energy: -141.562 flat angles C4'-P-C4' energy: -177.003 flat angles P-C4'-P energy: -101.541 tors. eta vs tors. theta energy: -207.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2461.415196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.415196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.415196 (E_RNA) where: Base-Base interactions energy: -1695.368 where: short stacking energy: -739.627 Base-Backbone interact. energy: -0.847 local terms energy: -765.199719 where: bonds (distance) C4'-P energy: -153.176 bonds (distance) P-C4' energy: -145.156 flat angles C4'-P-C4' energy: -153.576 flat angles P-C4'-P energy: -113.071 tors. eta vs tors. theta energy: -200.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2314.378158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.378158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.378158 (E_RNA) where: Base-Base interactions energy: -1611.369 where: short stacking energy: -685.544 Base-Backbone interact. energy: -0.949 local terms energy: -702.059879 where: bonds (distance) C4'-P energy: -126.939 bonds (distance) P-C4' energy: -136.372 flat angles C4'-P-C4' energy: -150.555 flat angles P-C4'-P energy: -114.717 tors. eta vs tors. theta energy: -173.477 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: 10 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2191.627855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.627855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.627855 (E_RNA) where: Base-Base interactions energy: -1501.943 where: short stacking energy: -656.072 Base-Backbone interact. energy: 0.151 local terms energy: -689.835353 where: bonds (distance) C4'-P energy: -124.788 bonds (distance) P-C4' energy: -128.304 flat angles C4'-P-C4' energy: -166.259 flat angles P-C4'-P energy: -83.863 tors. eta vs tors. theta energy: -186.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2017.007424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.007424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.007424 (E_RNA) where: Base-Base interactions energy: -1352.204 where: short stacking energy: -570.466 Base-Backbone interact. energy: -0.833 local terms energy: -663.970260 where: bonds (distance) C4'-P energy: -136.758 bonds (distance) P-C4' energy: -122.859 flat angles C4'-P-C4' energy: -144.402 flat angles P-C4'-P energy: -97.320 tors. eta vs tors. theta energy: -162.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1933.464751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.464751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.464751 (E_RNA) where: Base-Base interactions energy: -1285.787 where: short stacking energy: -587.573 Base-Backbone interact. energy: -0.240 local terms energy: -647.438285 where: bonds (distance) C4'-P energy: -125.841 bonds (distance) P-C4' energy: -131.976 flat angles C4'-P-C4' energy: -142.197 flat angles P-C4'-P energy: -81.303 tors. eta vs tors. theta energy: -166.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1541.705134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.705134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.705134 (E_RNA) where: Base-Base interactions energy: -974.340 where: short stacking energy: -467.158 Base-Backbone interact. energy: 1.529 local terms energy: -568.894145 where: bonds (distance) C4'-P energy: -135.586 bonds (distance) P-C4' energy: -127.694 flat angles C4'-P-C4' energy: -125.737 flat angles P-C4'-P energy: -75.550 tors. eta vs tors. theta energy: -104.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1366.594574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.594574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.594574 (E_RNA) where: Base-Base interactions energy: -846.936 where: short stacking energy: -386.304 Base-Backbone interact. energy: 0.321 local terms energy: -519.979277 where: bonds (distance) C4'-P energy: -121.020 bonds (distance) P-C4' energy: -131.888 flat angles C4'-P-C4' energy: -131.650 flat angles P-C4'-P energy: -72.868 tors. eta vs tors. theta energy: -62.553 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: 2 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1249.341169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.341169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.341169 (E_RNA) where: Base-Base interactions energy: -781.925 where: short stacking energy: -370.882 Base-Backbone interact. energy: 0.477 local terms energy: -467.892750 where: bonds (distance) C4'-P energy: -99.412 bonds (distance) P-C4' energy: -129.357 flat angles C4'-P-C4' energy: -125.858 flat angles P-C4'-P energy: -54.395 tors. eta vs tors. theta energy: -58.871 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: 5 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -901.422013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.422013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.422013 (E_RNA) where: Base-Base interactions energy: -499.382 where: short stacking energy: -266.529 Base-Backbone interact. energy: 1.612 local terms energy: -403.651698 where: bonds (distance) C4'-P energy: -109.582 bonds (distance) P-C4' energy: -117.928 flat angles C4'-P-C4' energy: -108.297 flat angles P-C4'-P energy: -55.744 tors. eta vs tors. theta energy: -12.100 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: 1 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2589.999262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.999262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.999262 (E_RNA) where: Base-Base interactions energy: -1794.548 where: short stacking energy: -753.646 Base-Backbone interact. energy: -3.586 local terms energy: -791.866033 where: bonds (distance) C4'-P energy: -143.880 bonds (distance) P-C4' energy: -159.609 flat angles C4'-P-C4' energy: -168.150 flat angles P-C4'-P energy: -102.352 tors. eta vs tors. theta energy: -217.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2470.292011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.292011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.292011 (E_RNA) where: Base-Base interactions energy: -1686.964 where: short stacking energy: -752.630 Base-Backbone interact. energy: -1.397 local terms energy: -781.930792 where: bonds (distance) C4'-P energy: -133.825 bonds (distance) P-C4' energy: -148.148 flat angles C4'-P-C4' energy: -163.630 flat angles P-C4'-P energy: -111.838 tors. eta vs tors. theta energy: -224.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2315.188540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.188540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.188540 (E_RNA) where: Base-Base interactions energy: -1584.974 where: short stacking energy: -676.317 Base-Backbone interact. energy: -4.112 local terms energy: -726.101903 where: bonds (distance) C4'-P energy: -139.203 bonds (distance) P-C4' energy: -146.918 flat angles C4'-P-C4' energy: -157.166 flat angles P-C4'-P energy: -88.225 tors. eta vs tors. theta energy: -194.591 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: 10 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2219.522079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.522079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.522079 (E_RNA) where: Base-Base interactions energy: -1488.580 where: short stacking energy: -663.064 Base-Backbone interact. energy: -4.359 local terms energy: -726.582464 where: bonds (distance) C4'-P energy: -151.735 bonds (distance) P-C4' energy: -132.206 flat angles C4'-P-C4' energy: -146.345 flat angles P-C4'-P energy: -104.052 tors. eta vs tors. theta energy: -192.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2011.323912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.323912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.323912 (E_RNA) where: Base-Base interactions energy: -1350.214 where: short stacking energy: -592.884 Base-Backbone interact. energy: 5.874 local terms energy: -666.984423 where: bonds (distance) C4'-P energy: -133.637 bonds (distance) P-C4' energy: -134.147 flat angles C4'-P-C4' energy: -149.066 flat angles P-C4'-P energy: -100.693 tors. eta vs tors. theta energy: -149.440 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: 7 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1988.709019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.709019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.709019 (E_RNA) where: Base-Base interactions energy: -1322.253 where: short stacking energy: -589.713 Base-Backbone interact. energy: 0.791 local terms energy: -667.247772 where: bonds (distance) C4'-P energy: -138.567 bonds (distance) P-C4' energy: -140.623 flat angles C4'-P-C4' energy: -141.580 flat angles P-C4'-P energy: -84.304 tors. eta vs tors. theta energy: -162.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1581.003405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.003405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.003405 (E_RNA) where: Base-Base interactions energy: -974.803 where: short stacking energy: -438.382 Base-Backbone interact. energy: -1.967 local terms energy: -604.232842 where: bonds (distance) C4'-P energy: -134.389 bonds (distance) P-C4' energy: -145.676 flat angles C4'-P-C4' energy: -145.835 flat angles P-C4'-P energy: -80.328 tors. eta vs tors. theta energy: -98.005 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: 9 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1381.758154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.758154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.758154 (E_RNA) where: Base-Base interactions energy: -832.904 where: short stacking energy: -388.541 Base-Backbone interact. energy: 1.709 local terms energy: -550.563368 where: bonds (distance) C4'-P energy: -129.467 bonds (distance) P-C4' energy: -140.026 flat angles C4'-P-C4' energy: -126.788 flat angles P-C4'-P energy: -90.198 tors. eta vs tors. theta energy: -64.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1199.010299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.010299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.010299 (E_RNA) where: Base-Base interactions energy: -745.851 where: short stacking energy: -365.535 Base-Backbone interact. energy: 4.393 local terms energy: -457.552432 where: bonds (distance) C4'-P energy: -103.169 bonds (distance) P-C4' energy: -120.445 flat angles C4'-P-C4' energy: -103.155 flat angles P-C4'-P energy: -86.276 tors. eta vs tors. theta energy: -44.509 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: 5 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -932.659636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.659636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.659636 (E_RNA) where: Base-Base interactions energy: -492.687 where: short stacking energy: -254.821 Base-Backbone interact. energy: -3.280 local terms energy: -436.692587 where: bonds (distance) C4'-P energy: -116.628 bonds (distance) P-C4' energy: -140.236 flat angles C4'-P-C4' energy: -96.298 flat angles P-C4'-P energy: -70.209 tors. eta vs tors. theta energy: -13.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2590.227548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.227548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.227548 (E_RNA) where: Base-Base interactions energy: -1802.026 where: short stacking energy: -766.041 Base-Backbone interact. energy: -3.305 local terms energy: -784.896719 where: bonds (distance) C4'-P energy: -146.021 bonds (distance) P-C4' energy: -155.747 flat angles C4'-P-C4' energy: -169.092 flat angles P-C4'-P energy: -113.432 tors. eta vs tors. theta energy: -200.604 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: 8 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2459.039290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.039290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.039290 (E_RNA) where: Base-Base interactions energy: -1666.372 where: short stacking energy: -750.175 Base-Backbone interact. energy: -0.107 local terms energy: -792.560517 where: bonds (distance) C4'-P energy: -129.431 bonds (distance) P-C4' energy: -161.192 flat angles C4'-P-C4' energy: -170.739 flat angles P-C4'-P energy: -111.175 tors. eta vs tors. theta energy: -220.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2376.668987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.668987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.668987 (E_RNA) where: Base-Base interactions energy: -1685.500 where: short stacking energy: -705.003 Base-Backbone interact. energy: 0.063 local terms energy: -691.231948 where: bonds (distance) C4'-P energy: -121.643 bonds (distance) P-C4' energy: -129.556 flat angles C4'-P-C4' energy: -152.431 flat angles P-C4'-P energy: -101.989 tors. eta vs tors. theta energy: -185.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2187.162230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.162230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.162230 (E_RNA) where: Base-Base interactions energy: -1479.554 where: short stacking energy: -631.345 Base-Backbone interact. energy: -0.966 local terms energy: -706.642658 where: bonds (distance) C4'-P energy: -132.995 bonds (distance) P-C4' energy: -129.137 flat angles C4'-P-C4' energy: -155.796 flat angles P-C4'-P energy: -106.812 tors. eta vs tors. theta energy: -181.903 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: 5, replica: 3 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1994.148022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.148022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.148022 (E_RNA) where: Base-Base interactions energy: -1375.837 where: short stacking energy: -592.489 Base-Backbone interact. energy: 1.351 local terms energy: -619.661617 where: bonds (distance) C4'-P energy: -122.476 bonds (distance) P-C4' energy: -123.424 flat angles C4'-P-C4' energy: -137.391 flat angles P-C4'-P energy: -89.901 tors. eta vs tors. theta energy: -146.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1965.833166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.833166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.833166 (E_RNA) where: Base-Base interactions energy: -1345.830 where: short stacking energy: -564.059 Base-Backbone interact. energy: -0.016 local terms energy: -619.987501 where: bonds (distance) C4'-P energy: -105.811 bonds (distance) P-C4' energy: -128.646 flat angles C4'-P-C4' energy: -150.946 flat angles P-C4'-P energy: -91.616 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: 7, replica: 6 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1609.277710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.277710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.277710 (E_RNA) where: Base-Base interactions energy: -1029.460 where: short stacking energy: -488.915 Base-Backbone interact. energy: -1.984 local terms energy: -577.833885 where: bonds (distance) C4'-P energy: -129.177 bonds (distance) P-C4' energy: -117.382 flat angles C4'-P-C4' energy: -153.585 flat angles P-C4'-P energy: -70.756 tors. eta vs tors. theta energy: -106.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1315.059562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.059562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.059562 (E_RNA) where: Base-Base interactions energy: -808.983 where: short stacking energy: -411.171 Base-Backbone interact. energy: 5.612 local terms energy: -511.688728 where: bonds (distance) C4'-P energy: -117.522 bonds (distance) P-C4' energy: -118.532 flat angles C4'-P-C4' energy: -116.228 flat angles P-C4'-P energy: -85.565 tors. eta vs tors. theta energy: -73.843 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: 2 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1216.547457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.547457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.547457 (E_RNA) where: Base-Base interactions energy: -736.609 where: short stacking energy: -341.035 Base-Backbone interact. energy: -2.102 local terms energy: -477.836136 where: bonds (distance) C4'-P energy: -106.679 bonds (distance) P-C4' energy: -140.615 flat angles C4'-P-C4' energy: -106.108 flat angles P-C4'-P energy: -71.295 tors. eta vs tors. theta energy: -53.139 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: 5 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -915.402667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.402667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.402667 (E_RNA) where: Base-Base interactions energy: -491.934 where: short stacking energy: -265.116 Base-Backbone interact. energy: -3.789 local terms energy: -419.679825 where: bonds (distance) C4'-P energy: -96.521 bonds (distance) P-C4' energy: -122.105 flat angles C4'-P-C4' energy: -134.826 flat angles P-C4'-P energy: -53.108 tors. eta vs tors. theta energy: -13.120 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: 1 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2604.862700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.862700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.862700 (E_RNA) where: Base-Base interactions energy: -1814.238 where: short stacking energy: -767.589 Base-Backbone interact. energy: 0.925 local terms energy: -791.549598 where: bonds (distance) C4'-P energy: -133.126 bonds (distance) P-C4' energy: -152.210 flat angles C4'-P-C4' energy: -176.641 flat angles P-C4'-P energy: -115.429 tors. eta vs tors. theta energy: -214.144 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: 8 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2451.754251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.754251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.754251 (E_RNA) where: Base-Base interactions energy: -1670.248 where: short stacking energy: -754.904 Base-Backbone interact. energy: 3.367 local terms energy: -784.873229 where: bonds (distance) C4'-P energy: -137.430 bonds (distance) P-C4' energy: -146.744 flat angles C4'-P-C4' energy: -166.761 flat angles P-C4'-P energy: -113.905 tors. eta vs tors. theta energy: -220.034 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: 3, replica: 4 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2368.261051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.261051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.261051 (E_RNA) where: Base-Base interactions energy: -1638.382 where: short stacking energy: -685.335 Base-Backbone interact. energy: 0.529 local terms energy: -730.408014 where: bonds (distance) C4'-P energy: -136.221 bonds (distance) P-C4' energy: -144.305 flat angles C4'-P-C4' energy: -158.204 flat angles P-C4'-P energy: -107.782 tors. eta vs tors. theta energy: -183.896 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: 10 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2171.971844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.971844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.971844 (E_RNA) where: Base-Base interactions energy: -1456.594 where: short stacking energy: -622.885 Base-Backbone interact. energy: -3.153 local terms energy: -712.225605 where: bonds (distance) C4'-P energy: -129.477 bonds (distance) P-C4' energy: -146.220 flat angles C4'-P-C4' energy: -166.743 flat angles P-C4'-P energy: -100.528 tors. eta vs tors. theta energy: -169.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2062.664039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.664039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.664039 (E_RNA) where: Base-Base interactions energy: -1386.877 where: short stacking energy: -600.710 Base-Backbone interact. energy: -1.781 local terms energy: -674.006503 where: bonds (distance) C4'-P energy: -131.478 bonds (distance) P-C4' energy: -122.652 flat angles C4'-P-C4' energy: -155.444 flat angles P-C4'-P energy: -96.865 tors. eta vs tors. theta energy: -167.568 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: 3 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1923.909800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.909800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.909800 (E_RNA) where: Base-Base interactions energy: -1264.497 where: short stacking energy: -499.552 Base-Backbone interact. energy: 1.762 local terms energy: -661.174420 where: bonds (distance) C4'-P energy: -139.225 bonds (distance) P-C4' energy: -143.595 flat angles C4'-P-C4' energy: -143.487 flat angles P-C4'-P energy: -94.060 tors. eta vs tors. theta energy: -140.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1617.814462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.814462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.814462 (E_RNA) where: Base-Base interactions energy: -1061.285 where: short stacking energy: -482.839 Base-Backbone interact. energy: 1.435 local terms energy: -557.964624 where: bonds (distance) C4'-P energy: -109.569 bonds (distance) P-C4' energy: -117.084 flat angles C4'-P-C4' energy: -150.921 flat angles P-C4'-P energy: -77.889 tors. eta vs tors. theta energy: -102.500 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: 9 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1371.437304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.437304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.437304 (E_RNA) where: Base-Base interactions energy: -835.489 where: short stacking energy: -392.110 Base-Backbone interact. energy: 4.173 local terms energy: -540.122115 where: bonds (distance) C4'-P energy: -123.465 bonds (distance) P-C4' energy: -152.591 flat angles C4'-P-C4' energy: -109.061 flat angles P-C4'-P energy: -73.651 tors. eta vs tors. theta energy: -81.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1220.423435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.423435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.423435 (E_RNA) where: Base-Base interactions energy: -756.441 where: short stacking energy: -356.146 Base-Backbone interact. energy: -0.392 local terms energy: -463.590538 where: bonds (distance) C4'-P energy: -87.826 bonds (distance) P-C4' energy: -119.013 flat angles C4'-P-C4' energy: -117.485 flat angles P-C4'-P energy: -80.848 tors. eta vs tors. theta energy: -58.419 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: 5 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -874.793614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.793614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.793614 (E_RNA) where: Base-Base interactions energy: -482.183 where: short stacking energy: -238.343 Base-Backbone interact. energy: -3.831 local terms energy: -388.779459 where: bonds (distance) C4'-P energy: -88.854 bonds (distance) P-C4' energy: -99.760 flat angles C4'-P-C4' energy: -110.218 flat angles P-C4'-P energy: -85.494 tors. eta vs tors. theta energy: -4.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2618.337520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.337520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.337520 (E_RNA) where: Base-Base interactions energy: -1816.119 where: short stacking energy: -778.007 Base-Backbone interact. energy: 3.652 local terms energy: -805.869954 where: bonds (distance) C4'-P energy: -142.517 bonds (distance) P-C4' energy: -158.524 flat angles C4'-P-C4' energy: -168.393 flat angles P-C4'-P energy: -114.734 tors. eta vs tors. theta energy: -221.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2455.380639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.380639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.380639 (E_RNA) where: Base-Base interactions energy: -1666.926 where: short stacking energy: -724.606 Base-Backbone interact. energy: -0.740 local terms energy: -787.715075 where: bonds (distance) C4'-P energy: -136.200 bonds (distance) P-C4' energy: -158.736 flat angles C4'-P-C4' energy: -152.793 flat angles P-C4'-P energy: -116.340 tors. eta vs tors. theta energy: -223.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2354.761291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.761291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.761291 (E_RNA) where: Base-Base interactions energy: -1648.255 where: short stacking energy: -720.074 Base-Backbone interact. energy: -2.589 local terms energy: -703.916871 where: bonds (distance) C4'-P energy: -123.285 bonds (distance) P-C4' energy: -139.858 flat angles C4'-P-C4' energy: -144.640 flat angles P-C4'-P energy: -94.484 tors. eta vs tors. theta energy: -201.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2199.210174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.210174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.210174 (E_RNA) where: Base-Base interactions energy: -1464.801 where: short stacking energy: -647.237 Base-Backbone interact. energy: -0.013 local terms energy: -734.396518 where: bonds (distance) C4'-P energy: -131.004 bonds (distance) P-C4' energy: -139.314 flat angles C4'-P-C4' energy: -166.471 flat angles P-C4'-P energy: -116.066 tors. eta vs tors. theta energy: -181.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2067.411633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.411633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.411633 (E_RNA) where: Base-Base interactions energy: -1387.159 where: short stacking energy: -616.212 Base-Backbone interact. energy: -0.207 local terms energy: -680.045795 where: bonds (distance) C4'-P energy: -125.010 bonds (distance) P-C4' energy: -135.448 flat angles C4'-P-C4' energy: -142.335 flat angles P-C4'-P energy: -100.114 tors. eta vs tors. theta energy: -177.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1949.152156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.152156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.152156 (E_RNA) where: Base-Base interactions energy: -1327.034 where: short stacking energy: -551.006 Base-Backbone interact. energy: 1.033 local terms energy: -623.151090 where: bonds (distance) C4'-P energy: -129.784 bonds (distance) P-C4' energy: -125.420 flat angles C4'-P-C4' energy: -131.641 flat angles P-C4'-P energy: -85.861 tors. eta vs tors. theta energy: -150.446 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: 6 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1575.608963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.608963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.608963 (E_RNA) where: Base-Base interactions energy: -990.164 where: short stacking energy: -459.258 Base-Backbone interact. energy: -0.829 local terms energy: -584.615786 where: bonds (distance) C4'-P energy: -116.292 bonds (distance) P-C4' energy: -147.138 flat angles C4'-P-C4' energy: -129.187 flat angles P-C4'-P energy: -85.108 tors. eta vs tors. theta energy: -106.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1337.508568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.508568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.508568 (E_RNA) where: Base-Base interactions energy: -838.012 where: short stacking energy: -404.017 Base-Backbone interact. energy: 1.850 local terms energy: -501.347091 where: bonds (distance) C4'-P energy: -109.840 bonds (distance) P-C4' energy: -126.726 flat angles C4'-P-C4' energy: -130.705 flat angles P-C4'-P energy: -59.648 tors. eta vs tors. theta energy: -74.429 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: 2 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1270.217884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.217884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.217884 (E_RNA) where: Base-Base interactions energy: -806.021 where: short stacking energy: -373.862 Base-Backbone interact. energy: -0.659 local terms energy: -463.537815 where: bonds (distance) C4'-P energy: -113.143 bonds (distance) P-C4' energy: -115.622 flat angles C4'-P-C4' energy: -124.923 flat angles P-C4'-P energy: -66.431 tors. eta vs tors. theta energy: -43.419 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: 5 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -889.555332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.555332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.555332 (E_RNA) where: Base-Base interactions energy: -474.044 where: short stacking energy: -261.390 Base-Backbone interact. energy: 10.040 local terms energy: -425.551820 where: bonds (distance) C4'-P energy: -109.308 bonds (distance) P-C4' energy: -130.969 flat angles C4'-P-C4' energy: -108.593 flat angles P-C4'-P energy: -60.931 tors. eta vs tors. theta energy: -15.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2587.535041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.535041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.535041 (E_RNA) where: Base-Base interactions energy: -1809.199 where: short stacking energy: -763.342 Base-Backbone interact. energy: -3.836 local terms energy: -774.500662 where: bonds (distance) C4'-P energy: -144.854 bonds (distance) P-C4' energy: -141.596 flat angles C4'-P-C4' energy: -166.197 flat angles P-C4'-P energy: -109.515 tors. eta vs tors. theta energy: -212.338 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: 8 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2439.285931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.285931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.285931 (E_RNA) where: Base-Base interactions energy: -1654.032 where: short stacking energy: -731.229 Base-Backbone interact. energy: -4.054 local terms energy: -781.199481 where: bonds (distance) C4'-P energy: -141.630 bonds (distance) P-C4' energy: -132.303 flat angles C4'-P-C4' energy: -173.911 flat angles P-C4'-P energy: -113.946 tors. eta vs tors. theta energy: -219.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2334.968155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.968155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.968155 (E_RNA) where: Base-Base interactions energy: -1594.900 where: short stacking energy: -708.492 Base-Backbone interact. energy: -2.682 local terms energy: -737.385345 where: bonds (distance) C4'-P energy: -137.791 bonds (distance) P-C4' energy: -142.493 flat angles C4'-P-C4' energy: -145.765 flat angles P-C4'-P energy: -98.413 tors. eta vs tors. theta energy: -212.923 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: 10 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2270.919749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.919749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.919749 (E_RNA) where: Base-Base interactions energy: -1540.579 where: short stacking energy: -681.222 Base-Backbone interact. energy: -5.130 local terms energy: -725.211430 where: bonds (distance) C4'-P energy: -121.867 bonds (distance) P-C4' energy: -141.128 flat angles C4'-P-C4' energy: -154.600 flat angles P-C4'-P energy: -115.106 tors. eta vs tors. theta energy: -192.510 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: 7 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2074.097987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.097987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.097987 (E_RNA) where: Base-Base interactions energy: -1373.321 where: short stacking energy: -594.349 Base-Backbone interact. energy: -2.717 local terms energy: -698.059979 where: bonds (distance) C4'-P energy: -132.227 bonds (distance) P-C4' energy: -131.272 flat angles C4'-P-C4' energy: -155.852 flat angles P-C4'-P energy: -106.101 tors. eta vs tors. theta energy: -172.608 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: 3 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1935.760335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.760335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.760335 (E_RNA) where: Base-Base interactions energy: -1300.823 where: short stacking energy: -548.473 Base-Backbone interact. energy: -4.524 local terms energy: -630.413434 where: bonds (distance) C4'-P energy: -127.873 bonds (distance) P-C4' energy: -139.076 flat angles C4'-P-C4' energy: -144.188 flat angles P-C4'-P energy: -88.600 tors. eta vs tors. theta energy: -130.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1578.957093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.957093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.957093 (E_RNA) where: Base-Base interactions energy: -1017.406 where: short stacking energy: -468.146 Base-Backbone interact. energy: -2.900 local terms energy: -558.650532 where: bonds (distance) C4'-P energy: -113.351 bonds (distance) P-C4' energy: -130.317 flat angles C4'-P-C4' energy: -129.554 flat angles P-C4'-P energy: -91.879 tors. eta vs tors. theta energy: -93.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1317.139582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.139582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.139582 (E_RNA) where: Base-Base interactions energy: -794.136 where: short stacking energy: -385.129 Base-Backbone interact. energy: 0.038 local terms energy: -523.041841 where: bonds (distance) C4'-P energy: -134.278 bonds (distance) P-C4' energy: -138.499 flat angles C4'-P-C4' energy: -114.158 flat angles P-C4'-P energy: -68.286 tors. eta vs tors. theta energy: -67.820 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: 9, replica: 2 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1318.709865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.709865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.709865 (E_RNA) where: Base-Base interactions energy: -830.896 where: short stacking energy: -393.130 Base-Backbone interact. energy: 0.506 local terms energy: -488.319382 where: bonds (distance) C4'-P energy: -111.226 bonds (distance) P-C4' energy: -131.072 flat angles C4'-P-C4' energy: -101.971 flat angles P-C4'-P energy: -80.215 tors. eta vs tors. theta energy: -63.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -832.170729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.170729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.170729 (E_RNA) where: Base-Base interactions energy: -382.920 where: short stacking energy: -205.699 Base-Backbone interact. energy: -3.363 local terms energy: -445.886975 where: bonds (distance) C4'-P energy: -136.724 bonds (distance) P-C4' energy: -130.306 flat angles C4'-P-C4' energy: -93.989 flat angles P-C4'-P energy: -84.256 tors. eta vs tors. theta energy: -0.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2573.765823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.765823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.765823 (E_RNA) where: Base-Base interactions energy: -1774.505 where: short stacking energy: -759.046 Base-Backbone interact. energy: -3.137 local terms energy: -796.123992 where: bonds (distance) C4'-P energy: -151.369 bonds (distance) P-C4' energy: -154.763 flat angles C4'-P-C4' energy: -164.531 flat angles P-C4'-P energy: -111.947 tors. eta vs tors. theta energy: -213.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2490.471463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.471463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.471463 (E_RNA) where: Base-Base interactions energy: -1703.763 where: short stacking energy: -779.605 Base-Backbone interact. energy: -1.547 local terms energy: -785.161937 where: bonds (distance) C4'-P energy: -142.769 bonds (distance) P-C4' energy: -142.496 flat angles C4'-P-C4' energy: -170.815 flat angles P-C4'-P energy: -116.851 tors. eta vs tors. theta energy: -212.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2348.466420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.466420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.466420 (E_RNA) where: Base-Base interactions energy: -1592.257 where: short stacking energy: -713.193 Base-Backbone interact. energy: -2.109 local terms energy: -754.100592 where: bonds (distance) C4'-P energy: -128.467 bonds (distance) P-C4' energy: -149.029 flat angles C4'-P-C4' energy: -167.196 flat angles P-C4'-P energy: -100.820 tors. eta vs tors. theta energy: -208.588 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: 10 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2206.262651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.262651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.262651 (E_RNA) where: Base-Base interactions energy: -1493.752 where: short stacking energy: -642.791 Base-Backbone interact. energy: -0.573 local terms energy: -711.937215 where: bonds (distance) C4'-P energy: -130.758 bonds (distance) P-C4' energy: -150.658 flat angles C4'-P-C4' energy: -160.834 flat angles P-C4'-P energy: -95.410 tors. eta vs tors. theta energy: -174.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2116.077004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.077004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.077004 (E_RNA) where: Base-Base interactions energy: -1409.878 where: short stacking energy: -627.337 Base-Backbone interact. energy: -1.543 local terms energy: -704.655867 where: bonds (distance) C4'-P energy: -137.947 bonds (distance) P-C4' energy: -127.926 flat angles C4'-P-C4' energy: -156.931 flat angles P-C4'-P energy: -103.440 tors. eta vs tors. theta energy: -178.412 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: 6, replica: 3 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1924.105238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.105238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.105238 (E_RNA) where: Base-Base interactions energy: -1278.113 where: short stacking energy: -546.405 Base-Backbone interact. energy: -1.705 local terms energy: -644.286676 where: bonds (distance) C4'-P energy: -123.439 bonds (distance) P-C4' energy: -123.051 flat angles C4'-P-C4' energy: -147.006 flat angles P-C4'-P energy: -99.440 tors. eta vs tors. theta energy: -151.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1546.331899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.331899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.331899 (E_RNA) where: Base-Base interactions energy: -1002.069 where: short stacking energy: -468.499 Base-Backbone interact. energy: 2.084 local terms energy: -546.347665 where: bonds (distance) C4'-P energy: -108.074 bonds (distance) P-C4' energy: -134.618 flat angles C4'-P-C4' energy: -108.166 flat angles P-C4'-P energy: -95.078 tors. eta vs tors. theta energy: -100.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1285.055562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.055562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.055562 (E_RNA) where: Base-Base interactions energy: -806.250 where: short stacking energy: -394.300 Base-Backbone interact. energy: -1.768 local terms energy: -477.037740 where: bonds (distance) C4'-P energy: -141.303 bonds (distance) P-C4' energy: -104.577 flat angles C4'-P-C4' energy: -96.147 flat angles P-C4'-P energy: -80.471 tors. eta vs tors. theta energy: -54.540 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: 2 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1338.666477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.666477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.666477 (E_RNA) where: Base-Base interactions energy: -856.064 where: short stacking energy: -393.772 Base-Backbone interact. energy: 3.151 local terms energy: -485.753146 where: bonds (distance) C4'-P energy: -104.856 bonds (distance) P-C4' energy: -114.499 flat angles C4'-P-C4' energy: -112.051 flat angles P-C4'-P energy: -77.632 tors. eta vs tors. theta energy: -76.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -845.133917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.133917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.133917 (E_RNA) where: Base-Base interactions energy: -423.336 where: short stacking energy: -227.090 Base-Backbone interact. energy: -5.716 local terms energy: -416.081767 where: bonds (distance) C4'-P energy: -114.323 bonds (distance) P-C4' energy: -111.813 flat angles C4'-P-C4' energy: -109.612 flat angles P-C4'-P energy: -75.790 tors. eta vs tors. theta energy: -4.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2594.891396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.891396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.891396 (E_RNA) where: Base-Base interactions energy: -1787.901 where: short stacking energy: -729.966 Base-Backbone interact. energy: -4.164 local terms energy: -802.826667 where: bonds (distance) C4'-P energy: -151.694 bonds (distance) P-C4' energy: -154.800 flat angles C4'-P-C4' energy: -171.651 flat angles P-C4'-P energy: -110.030 tors. eta vs tors. theta energy: -214.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2473.351221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.351221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.351221 (E_RNA) where: Base-Base interactions energy: -1702.297 where: short stacking energy: -761.604 Base-Backbone interact. energy: 0.703 local terms energy: -771.756316 where: bonds (distance) C4'-P energy: -130.854 bonds (distance) P-C4' energy: -140.355 flat angles C4'-P-C4' energy: -162.745 flat angles P-C4'-P energy: -107.438 tors. eta vs tors. theta energy: -230.365 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: 3, replica: 4 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2409.931595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.931595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.931595 (E_RNA) where: Base-Base interactions energy: -1600.132 where: short stacking energy: -713.614 Base-Backbone interact. energy: -3.801 local terms energy: -805.999031 where: bonds (distance) C4'-P energy: -131.857 bonds (distance) P-C4' energy: -156.012 flat angles C4'-P-C4' energy: -164.655 flat angles P-C4'-P energy: -124.297 tors. eta vs tors. theta energy: -229.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2177.956046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.956046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.956046 (E_RNA) where: Base-Base interactions energy: -1478.384 where: short stacking energy: -632.573 Base-Backbone interact. energy: -2.355 local terms energy: -697.216516 where: bonds (distance) C4'-P energy: -129.271 bonds (distance) P-C4' energy: -130.608 flat angles C4'-P-C4' energy: -147.635 flat angles P-C4'-P energy: -117.817 tors. eta vs tors. theta energy: -171.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2082.226861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.226861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.226861 (E_RNA) where: Base-Base interactions energy: -1427.364 where: short stacking energy: -642.440 Base-Backbone interact. energy: 2.770 local terms energy: -657.633139 where: bonds (distance) C4'-P energy: -121.650 bonds (distance) P-C4' energy: -124.685 flat angles C4'-P-C4' energy: -161.582 flat angles P-C4'-P energy: -83.385 tors. eta vs tors. theta energy: -166.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1920.094469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.094469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.094469 (E_RNA) where: Base-Base interactions energy: -1250.315 where: short stacking energy: -516.100 Base-Backbone interact. energy: -3.606 local terms energy: -666.174119 where: bonds (distance) C4'-P energy: -124.489 bonds (distance) P-C4' energy: -147.340 flat angles C4'-P-C4' energy: -138.694 flat angles P-C4'-P energy: -103.142 tors. eta vs tors. theta energy: -152.509 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: 152 Temperature: 1.200000 Total energy: -1559.271540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.271540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.271540 (E_RNA) where: Base-Base interactions energy: -1001.973 where: short stacking energy: -462.101 Base-Backbone interact. energy: -3.297 local terms energy: -554.001428 where: bonds (distance) C4'-P energy: -121.717 bonds (distance) P-C4' energy: -127.403 flat angles C4'-P-C4' energy: -126.309 flat angles P-C4'-P energy: -90.402 tors. eta vs tors. theta energy: -88.171 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: 9 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1338.008485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.008485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.008485 (E_RNA) where: Base-Base interactions energy: -819.045 where: short stacking energy: -401.515 Base-Backbone interact. energy: -0.257 local terms energy: -518.706235 where: bonds (distance) C4'-P energy: -114.040 bonds (distance) P-C4' energy: -130.197 flat angles C4'-P-C4' energy: -137.035 flat angles P-C4'-P energy: -63.038 tors. eta vs tors. theta energy: -74.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1265.557452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.557452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.557452 (E_RNA) where: Base-Base interactions energy: -767.548 where: short stacking energy: -348.688 Base-Backbone interact. energy: 4.425 local terms energy: -502.435073 where: bonds (distance) C4'-P energy: -137.028 bonds (distance) P-C4' energy: -123.965 flat angles C4'-P-C4' energy: -129.147 flat angles P-C4'-P energy: -68.951 tors. eta vs tors. theta energy: -43.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -849.299363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.299363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.299363 (E_RNA) where: Base-Base interactions energy: -435.721 where: short stacking energy: -243.179 Base-Backbone interact. energy: 5.513 local terms energy: -419.091265 where: bonds (distance) C4'-P energy: -121.803 bonds (distance) P-C4' energy: -122.056 flat angles C4'-P-C4' energy: -105.656 flat angles P-C4'-P energy: -64.024 tors. eta vs tors. theta energy: -5.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2571.821614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.821614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.821614 (E_RNA) where: Base-Base interactions energy: -1788.280 where: short stacking energy: -733.075 Base-Backbone interact. energy: -0.982 local terms energy: -782.559268 where: bonds (distance) C4'-P energy: -154.788 bonds (distance) P-C4' energy: -154.296 flat angles C4'-P-C4' energy: -158.930 flat angles P-C4'-P energy: -108.988 tors. eta vs tors. theta energy: -205.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2478.677036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.677036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.677036 (E_RNA) where: Base-Base interactions energy: -1674.750 where: short stacking energy: -767.390 Base-Backbone interact. energy: 1.837 local terms energy: -805.763657 where: bonds (distance) C4'-P energy: -146.619 bonds (distance) P-C4' energy: -139.428 flat angles C4'-P-C4' energy: -178.696 flat angles P-C4'-P energy: -110.150 tors. eta vs tors. theta energy: -230.871 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: 4 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2389.758367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.758367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.758367 (E_RNA) where: Base-Base interactions energy: -1619.187 where: short stacking energy: -715.232 Base-Backbone interact. energy: -4.316 local terms energy: -766.255459 where: bonds (distance) C4'-P energy: -144.863 bonds (distance) P-C4' energy: -146.595 flat angles C4'-P-C4' energy: -160.859 flat angles P-C4'-P energy: -90.538 tors. eta vs tors. theta energy: -223.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2183.733513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.733513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.733513 (E_RNA) where: Base-Base interactions energy: -1482.097 where: short stacking energy: -669.392 Base-Backbone interact. energy: -6.477 local terms energy: -695.159398 where: bonds (distance) C4'-P energy: -128.649 bonds (distance) P-C4' energy: -150.424 flat angles C4'-P-C4' energy: -153.988 flat angles P-C4'-P energy: -80.978 tors. eta vs tors. theta energy: -181.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2098.032275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.032275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.032275 (E_RNA) where: Base-Base interactions energy: -1429.622 where: short stacking energy: -649.253 Base-Backbone interact. energy: -2.001 local terms energy: -666.409053 where: bonds (distance) C4'-P energy: -129.504 bonds (distance) P-C4' energy: -129.827 flat angles C4'-P-C4' energy: -138.845 flat angles P-C4'-P energy: -90.744 tors. eta vs tors. theta energy: -177.489 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: 3 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1887.178641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.178641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.178641 (E_RNA) where: Base-Base interactions energy: -1250.419 where: short stacking energy: -552.644 Base-Backbone interact. energy: -3.508 local terms energy: -633.252335 where: bonds (distance) C4'-P energy: -140.557 bonds (distance) P-C4' energy: -129.328 flat angles C4'-P-C4' energy: -145.445 flat angles P-C4'-P energy: -72.850 tors. eta vs tors. theta energy: -145.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1598.099540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.099540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.099540 (E_RNA) where: Base-Base interactions energy: -1011.048 where: short stacking energy: -453.140 Base-Backbone interact. energy: 2.185 local terms energy: -589.236278 where: bonds (distance) C4'-P energy: -116.115 bonds (distance) P-C4' energy: -135.563 flat angles C4'-P-C4' energy: -156.519 flat angles P-C4'-P energy: -84.704 tors. eta vs tors. theta energy: -96.335 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: 2 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1415.087441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.087441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.087441 (E_RNA) where: Base-Base interactions energy: -883.478 where: short stacking energy: -412.882 Base-Backbone interact. energy: 0.851 local terms energy: -532.460301 where: bonds (distance) C4'-P energy: -105.045 bonds (distance) P-C4' energy: -125.083 flat angles C4'-P-C4' energy: -133.692 flat angles P-C4'-P energy: -82.184 tors. eta vs tors. theta energy: -86.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1323.652399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.652399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.652399 (E_RNA) where: Base-Base interactions energy: -827.592 where: short stacking energy: -384.363 Base-Backbone interact. energy: -0.250 local terms energy: -495.810883 where: bonds (distance) C4'-P energy: -116.001 bonds (distance) P-C4' energy: -128.082 flat angles C4'-P-C4' energy: -128.906 flat angles P-C4'-P energy: -63.448 tors. eta vs tors. theta energy: -59.375 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: 5 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -882.791545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.791545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.791545 (E_RNA) where: Base-Base interactions energy: -461.755 where: short stacking energy: -272.574 Base-Backbone interact. energy: -3.600 local terms energy: -417.436557 where: bonds (distance) C4'-P energy: -133.485 bonds (distance) P-C4' energy: -115.179 flat angles C4'-P-C4' energy: -99.288 flat angles P-C4'-P energy: -51.714 tors. eta vs tors. theta energy: -17.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2575.647569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.647569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.647569 (E_RNA) where: Base-Base interactions energy: -1795.298 where: short stacking energy: -771.667 Base-Backbone interact. energy: -3.006 local terms energy: -777.343267 where: bonds (distance) C4'-P energy: -140.140 bonds (distance) P-C4' energy: -134.445 flat angles C4'-P-C4' energy: -173.957 flat angles P-C4'-P energy: -111.204 tors. eta vs tors. theta energy: -217.598 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: 2, replica: 8 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2503.177045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.177045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.177045 (E_RNA) where: Base-Base interactions energy: -1689.639 where: short stacking energy: -738.882 Base-Backbone interact. energy: 7.526 local terms energy: -821.063804 where: bonds (distance) C4'-P energy: -138.954 bonds (distance) P-C4' energy: -153.790 flat angles C4'-P-C4' energy: -168.389 flat angles P-C4'-P energy: -134.468 tors. eta vs tors. theta energy: -225.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2372.838366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.838366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.838366 (E_RNA) where: Base-Base interactions energy: -1615.161 where: short stacking energy: -706.522 Base-Backbone interact. energy: -3.833 local terms energy: -753.844054 where: bonds (distance) C4'-P energy: -135.709 bonds (distance) P-C4' energy: -137.899 flat angles C4'-P-C4' energy: -157.297 flat angles P-C4'-P energy: -101.748 tors. eta vs tors. theta energy: -221.191 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: 4, replica: 10 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2223.717653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.717653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.717653 (E_RNA) where: Base-Base interactions energy: -1505.064 where: short stacking energy: -643.493 Base-Backbone interact. energy: -5.930 local terms energy: -712.724113 where: bonds (distance) C4'-P energy: -140.169 bonds (distance) P-C4' energy: -125.428 flat angles C4'-P-C4' energy: -145.938 flat angles P-C4'-P energy: -107.112 tors. eta vs tors. theta energy: -194.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2133.308884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.308884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.308884 (E_RNA) where: Base-Base interactions energy: -1421.216 where: short stacking energy: -643.482 Base-Backbone interact. energy: -1.508 local terms energy: -710.584802 where: bonds (distance) C4'-P energy: -121.311 bonds (distance) P-C4' energy: -138.675 flat angles C4'-P-C4' energy: -154.770 flat angles P-C4'-P energy: -106.723 tors. eta vs tors. theta energy: -189.106 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: 3 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1902.468825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.468825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.468825 (E_RNA) where: Base-Base interactions energy: -1294.504 where: short stacking energy: -532.688 Base-Backbone interact. energy: 4.522 local terms energy: -612.487387 where: bonds (distance) C4'-P energy: -116.051 bonds (distance) P-C4' energy: -120.943 flat angles C4'-P-C4' energy: -152.642 flat angles P-C4'-P energy: -80.728 tors. eta vs tors. theta energy: -142.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1633.556060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.556060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.556060 (E_RNA) where: Base-Base interactions energy: -1079.444 where: short stacking energy: -452.341 Base-Backbone interact. energy: -2.772 local terms energy: -551.339680 where: bonds (distance) C4'-P energy: -132.008 bonds (distance) P-C4' energy: -110.046 flat angles C4'-P-C4' energy: -135.071 flat angles P-C4'-P energy: -91.882 tors. eta vs tors. theta energy: -82.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1324.316722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.316722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.316722 (E_RNA) where: Base-Base interactions energy: -826.693 where: short stacking energy: -379.272 Base-Backbone interact. energy: -1.236 local terms energy: -496.387897 where: bonds (distance) C4'-P energy: -118.673 bonds (distance) P-C4' energy: -131.600 flat angles C4'-P-C4' energy: -119.420 flat angles P-C4'-P energy: -60.298 tors. eta vs tors. theta energy: -66.398 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: 154 Temperature: 1.300000 Total energy: -1264.544400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.544400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.544400 (E_RNA) where: Base-Base interactions energy: -760.757 where: short stacking energy: -364.299 Base-Backbone interact. energy: 1.826 local terms energy: -505.613715 where: bonds (distance) C4'-P energy: -127.389 bonds (distance) P-C4' energy: -107.972 flat angles C4'-P-C4' energy: -113.229 flat angles P-C4'-P energy: -78.324 tors. eta vs tors. theta energy: -78.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -799.582449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.582449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.582449 (E_RNA) where: Base-Base interactions energy: -401.093 where: short stacking energy: -221.413 Base-Backbone interact. energy: -3.360 local terms energy: -395.128694 where: bonds (distance) C4'-P energy: -110.767 bonds (distance) P-C4' energy: -98.542 flat angles C4'-P-C4' energy: -123.245 flat angles P-C4'-P energy: -62.209 tors. eta vs tors. theta energy: -0.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2624.616377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.616377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.616377 (E_RNA) where: Base-Base interactions energy: -1827.488 where: short stacking energy: -757.638 Base-Backbone interact. energy: -3.726 local terms energy: -793.402311 where: bonds (distance) C4'-P energy: -142.538 bonds (distance) P-C4' energy: -153.478 flat angles C4'-P-C4' energy: -171.660 flat angles P-C4'-P energy: -110.323 tors. eta vs tors. theta energy: -215.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2500.147640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.147640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.147640 (E_RNA) where: Base-Base interactions energy: -1671.919 where: short stacking energy: -753.872 Base-Backbone interact. energy: -2.296 local terms energy: -825.932325 where: bonds (distance) C4'-P energy: -158.570 bonds (distance) P-C4' energy: -147.616 flat angles C4'-P-C4' energy: -174.282 flat angles P-C4'-P energy: -115.429 tors. eta vs tors. theta energy: -230.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2363.683218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.683218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.683218 (E_RNA) where: Base-Base interactions energy: -1607.224 where: short stacking energy: -706.573 Base-Backbone interact. energy: -2.862 local terms energy: -753.597344 where: bonds (distance) C4'-P energy: -137.970 bonds (distance) P-C4' energy: -144.657 flat angles C4'-P-C4' energy: -149.473 flat angles P-C4'-P energy: -114.144 tors. eta vs tors. theta energy: -207.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2229.256885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.256885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.256885 (E_RNA) where: Base-Base interactions energy: -1517.470 where: short stacking energy: -663.022 Base-Backbone interact. energy: -3.557 local terms energy: -708.229267 where: bonds (distance) C4'-P energy: -141.173 bonds (distance) P-C4' energy: -126.637 flat angles C4'-P-C4' energy: -154.828 flat angles P-C4'-P energy: -95.526 tors. eta vs tors. theta energy: -190.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2066.291373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.291373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.291373 (E_RNA) where: Base-Base interactions energy: -1385.140 where: short stacking energy: -588.387 Base-Backbone interact. energy: 3.864 local terms energy: -685.015907 where: bonds (distance) C4'-P energy: -143.116 bonds (distance) P-C4' energy: -134.152 flat angles C4'-P-C4' energy: -154.357 flat angles P-C4'-P energy: -96.860 tors. eta vs tors. theta energy: -156.531 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: 3 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1866.407521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.407521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.407521 (E_RNA) where: Base-Base interactions energy: -1255.959 where: short stacking energy: -528.971 Base-Backbone interact. energy: 3.945 local terms energy: -614.393132 where: bonds (distance) C4'-P energy: -127.666 bonds (distance) P-C4' energy: -130.975 flat angles C4'-P-C4' energy: -142.426 flat angles P-C4'-P energy: -84.092 tors. eta vs tors. theta energy: -129.234 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: 155 Temperature: 1.200000 Total energy: -1623.482495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.482495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.482495 (E_RNA) where: Base-Base interactions energy: -1061.438 where: short stacking energy: -443.566 Base-Backbone interact. energy: -1.069 local terms energy: -560.975573 where: bonds (distance) C4'-P energy: -128.929 bonds (distance) P-C4' energy: -125.178 flat angles C4'-P-C4' energy: -135.124 flat angles P-C4'-P energy: -80.020 tors. eta vs tors. theta energy: -91.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1380.687086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.687086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.687086 (E_RNA) where: Base-Base interactions energy: -865.675 where: short stacking energy: -404.111 Base-Backbone interact. energy: -1.643 local terms energy: -513.369250 where: bonds (distance) C4'-P energy: -119.581 bonds (distance) P-C4' energy: -123.805 flat angles C4'-P-C4' energy: -130.985 flat angles P-C4'-P energy: -63.676 tors. eta vs tors. theta energy: -75.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1150.409892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.409892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.409892 (E_RNA) where: Base-Base interactions energy: -702.624 where: short stacking energy: -319.885 Base-Backbone interact. energy: 1.370 local terms energy: -449.155977 where: bonds (distance) C4'-P energy: -120.068 bonds (distance) P-C4' energy: -106.769 flat angles C4'-P-C4' energy: -129.780 flat angles P-C4'-P energy: -70.633 tors. eta vs tors. theta energy: -21.906 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: 5 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -785.605880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.605880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.605880 (E_RNA) where: Base-Base interactions energy: -398.798 where: short stacking energy: -234.707 Base-Backbone interact. energy: 8.902 local terms energy: -395.709750 where: bonds (distance) C4'-P energy: -126.645 bonds (distance) P-C4' energy: -124.697 flat angles C4'-P-C4' energy: -100.036 flat angles P-C4'-P energy: -47.247 tors. eta vs tors. theta energy: 2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2619.780953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.780953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.780953 (E_RNA) where: Base-Base interactions energy: -1844.855 where: short stacking energy: -779.009 Base-Backbone interact. energy: -3.606 local terms energy: -771.320481 where: bonds (distance) C4'-P energy: -131.775 bonds (distance) P-C4' energy: -147.139 flat angles C4'-P-C4' energy: -172.499 flat angles P-C4'-P energy: -102.329 tors. eta vs tors. theta energy: -217.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2473.746746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.746746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.746746 (E_RNA) where: Base-Base interactions energy: -1688.107 where: short stacking energy: -756.453 Base-Backbone interact. energy: -0.013 local terms energy: -785.626720 where: bonds (distance) C4'-P energy: -130.990 bonds (distance) P-C4' energy: -163.446 flat angles C4'-P-C4' energy: -169.310 flat angles P-C4'-P energy: -96.843 tors. eta vs tors. theta energy: -225.037 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: 4 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2379.868249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.868249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.868249 (E_RNA) where: Base-Base interactions energy: -1610.998 where: short stacking energy: -718.882 Base-Backbone interact. energy: -2.807 local terms energy: -766.063977 where: bonds (distance) C4'-P energy: -140.068 bonds (distance) P-C4' energy: -140.402 flat angles C4'-P-C4' energy: -173.937 flat angles P-C4'-P energy: -107.660 tors. eta vs tors. theta energy: -203.998 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: 10 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2206.721933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.721933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.721933 (E_RNA) where: Base-Base interactions energy: -1486.388 where: short stacking energy: -651.657 Base-Backbone interact. energy: -2.918 local terms energy: -717.416501 where: bonds (distance) C4'-P energy: -125.574 bonds (distance) P-C4' energy: -140.896 flat angles C4'-P-C4' energy: -159.751 flat angles P-C4'-P energy: -103.307 tors. eta vs tors. theta energy: -187.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2112.003782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.003782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.003782 (E_RNA) where: Base-Base interactions energy: -1433.958 where: short stacking energy: -639.610 Base-Backbone interact. energy: 4.447 local terms energy: -682.492570 where: bonds (distance) C4'-P energy: -129.246 bonds (distance) P-C4' energy: -129.902 flat angles C4'-P-C4' energy: -154.163 flat angles P-C4'-P energy: -80.973 tors. eta vs tors. theta energy: -188.208 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: 3 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1819.542980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.542980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.542980 (E_RNA) where: Base-Base interactions energy: -1209.058 where: short stacking energy: -511.468 Base-Backbone interact. energy: -4.665 local terms energy: -605.819480 where: bonds (distance) C4'-P energy: -122.036 bonds (distance) P-C4' energy: -127.689 flat angles C4'-P-C4' energy: -139.008 flat angles P-C4'-P energy: -96.214 tors. eta vs tors. theta energy: -120.873 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: 6 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1636.796748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.796748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.796748 (E_RNA) where: Base-Base interactions energy: -1087.534 where: short stacking energy: -471.600 Base-Backbone interact. energy: 0.614 local terms energy: -549.877064 where: bonds (distance) C4'-P energy: -119.704 bonds (distance) P-C4' energy: -123.829 flat angles C4'-P-C4' energy: -123.016 flat angles P-C4'-P energy: -82.926 tors. eta vs tors. theta energy: -100.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1391.977018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.977018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.977018 (E_RNA) where: Base-Base interactions energy: -882.832 where: short stacking energy: -404.411 Base-Backbone interact. energy: -4.929 local terms energy: -504.216381 where: bonds (distance) C4'-P energy: -127.754 bonds (distance) P-C4' energy: -142.164 flat angles C4'-P-C4' energy: -113.582 flat angles P-C4'-P energy: -53.671 tors. eta vs tors. theta energy: -67.045 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: 156 Temperature: 1.300000 Total energy: -1123.724366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.724366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.724366 (E_RNA) where: Base-Base interactions energy: -652.753 where: short stacking energy: -294.500 Base-Backbone interact. energy: -1.370 local terms energy: -469.601629 where: bonds (distance) C4'-P energy: -118.952 bonds (distance) P-C4' energy: -125.372 flat angles C4'-P-C4' energy: -127.338 flat angles P-C4'-P energy: -75.339 tors. eta vs tors. theta energy: -22.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -853.968944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.968944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.968944 (E_RNA) where: Base-Base interactions energy: -428.240 where: short stacking energy: -228.723 Base-Backbone interact. energy: 6.105 local terms energy: -431.834386 where: bonds (distance) C4'-P energy: -110.504 bonds (distance) P-C4' energy: -115.663 flat angles C4'-P-C4' energy: -122.693 flat angles P-C4'-P energy: -62.600 tors. eta vs tors. theta energy: -20.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2601.341251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.341251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.341251 (E_RNA) where: Base-Base interactions energy: -1817.286 where: short stacking energy: -777.150 Base-Backbone interact. energy: -1.479 local terms energy: -782.575641 where: bonds (distance) C4'-P energy: -146.055 bonds (distance) P-C4' energy: -148.886 flat angles C4'-P-C4' energy: -164.203 flat angles P-C4'-P energy: -105.490 tors. eta vs tors. theta energy: -217.942 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: 8 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2497.660798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.660798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.660798 (E_RNA) where: Base-Base interactions energy: -1719.056 where: short stacking energy: -783.287 Base-Backbone interact. energy: 1.548 local terms energy: -780.151836 where: bonds (distance) C4'-P energy: -147.794 bonds (distance) P-C4' energy: -135.338 flat angles C4'-P-C4' energy: -164.382 flat angles P-C4'-P energy: -104.085 tors. eta vs tors. theta energy: -228.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2408.195893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.195893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.195893 (E_RNA) where: Base-Base interactions energy: -1665.561 where: short stacking energy: -739.407 Base-Backbone interact. energy: -4.200 local terms energy: -738.435513 where: bonds (distance) C4'-P energy: -124.844 bonds (distance) P-C4' energy: -121.403 flat angles C4'-P-C4' energy: -162.806 flat angles P-C4'-P energy: -109.692 tors. eta vs tors. theta energy: -219.691 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: 10 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2225.576663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.576663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.576663 (E_RNA) where: Base-Base interactions energy: -1495.025 where: short stacking energy: -666.045 Base-Backbone interact. energy: -4.245 local terms energy: -726.307434 where: bonds (distance) C4'-P energy: -143.045 bonds (distance) P-C4' energy: -121.734 flat angles C4'-P-C4' energy: -164.588 flat angles P-C4'-P energy: -104.574 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: 5, replica: 7 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2076.106199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.106199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.106199 (E_RNA) where: Base-Base interactions energy: -1381.499 where: short stacking energy: -614.940 Base-Backbone interact. energy: -4.819 local terms energy: -689.788477 where: bonds (distance) C4'-P energy: -136.968 bonds (distance) P-C4' energy: -139.958 flat angles C4'-P-C4' energy: -145.060 flat angles P-C4'-P energy: -93.311 tors. eta vs tors. theta energy: -174.492 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: 3 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1851.693462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.693462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.693462 (E_RNA) where: Base-Base interactions energy: -1223.122 where: short stacking energy: -531.900 Base-Backbone interact. energy: 0.307 local terms energy: -628.878436 where: bonds (distance) C4'-P energy: -113.921 bonds (distance) P-C4' energy: -135.304 flat angles C4'-P-C4' energy: -150.456 flat angles P-C4'-P energy: -99.393 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: 7, replica: 6 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1666.561977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.561977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.561977 (E_RNA) where: Base-Base interactions energy: -1061.046 where: short stacking energy: -462.395 Base-Backbone interact. energy: -4.088 local terms energy: -601.428176 where: bonds (distance) C4'-P energy: -153.653 bonds (distance) P-C4' energy: -129.943 flat angles C4'-P-C4' energy: -122.792 flat angles P-C4'-P energy: -85.984 tors. eta vs tors. theta energy: -109.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1403.529454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.529454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.529454 (E_RNA) where: Base-Base interactions energy: -898.589 where: short stacking energy: -402.090 Base-Backbone interact. energy: -0.131 local terms energy: -504.809488 where: bonds (distance) C4'-P energy: -108.872 bonds (distance) P-C4' energy: -122.435 flat angles C4'-P-C4' energy: -121.228 flat angles P-C4'-P energy: -70.493 tors. eta vs tors. theta energy: -81.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1164.344110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.344110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.344110 (E_RNA) where: Base-Base interactions energy: -705.392 where: short stacking energy: -326.450 Base-Backbone interact. energy: -0.496 local terms energy: -458.455408 where: bonds (distance) C4'-P energy: -113.451 bonds (distance) P-C4' energy: -134.536 flat angles C4'-P-C4' energy: -97.621 flat angles P-C4'-P energy: -70.118 tors. eta vs tors. theta energy: -42.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -846.954699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.954699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.954699 (E_RNA) where: Base-Base interactions energy: -452.457 where: short stacking energy: -268.567 Base-Backbone interact. energy: -2.169 local terms energy: -392.328861 where: bonds (distance) C4'-P energy: -94.397 bonds (distance) P-C4' energy: -143.272 flat angles C4'-P-C4' energy: -91.612 flat angles P-C4'-P energy: -55.029 tors. eta vs tors. theta energy: -8.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2573.192145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.192145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.192145 (E_RNA) where: Base-Base interactions energy: -1775.892 where: short stacking energy: -771.786 Base-Backbone interact. energy: -3.323 local terms energy: -793.976816 where: bonds (distance) C4'-P energy: -144.228 bonds (distance) P-C4' energy: -155.931 flat angles C4'-P-C4' energy: -166.067 flat angles P-C4'-P energy: -116.688 tors. eta vs tors. theta energy: -211.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2501.780580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.780580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.780580 (E_RNA) where: Base-Base interactions energy: -1707.231 where: short stacking energy: -722.387 Base-Backbone interact. energy: 1.578 local terms energy: -796.127802 where: bonds (distance) C4'-P energy: -139.847 bonds (distance) P-C4' energy: -147.133 flat angles C4'-P-C4' energy: -163.425 flat angles P-C4'-P energy: -117.888 tors. eta vs tors. theta energy: -227.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2383.271267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.271267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.271267 (E_RNA) where: Base-Base interactions energy: -1625.932 where: short stacking energy: -702.256 Base-Backbone interact. energy: -1.701 local terms energy: -755.638250 where: bonds (distance) C4'-P energy: -151.888 bonds (distance) P-C4' energy: -132.879 flat angles C4'-P-C4' energy: -153.576 flat angles P-C4'-P energy: -113.951 tors. eta vs tors. theta energy: -203.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2196.055404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.055404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.055404 (E_RNA) where: Base-Base interactions energy: -1469.306 where: short stacking energy: -641.722 Base-Backbone interact. energy: -4.088 local terms energy: -722.661672 where: bonds (distance) C4'-P energy: -120.320 bonds (distance) P-C4' energy: -152.244 flat angles C4'-P-C4' energy: -154.849 flat angles P-C4'-P energy: -113.398 tors. eta vs tors. theta energy: -181.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2039.419261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.419261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.419261 (E_RNA) where: Base-Base interactions energy: -1358.451 where: short stacking energy: -624.661 Base-Backbone interact. energy: -0.630 local terms energy: -680.338906 where: bonds (distance) C4'-P energy: -136.431 bonds (distance) P-C4' energy: -135.975 flat angles C4'-P-C4' energy: -141.774 flat angles P-C4'-P energy: -103.070 tors. eta vs tors. theta energy: -163.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1845.275814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.275814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.275814 (E_RNA) where: Base-Base interactions energy: -1224.256 where: short stacking energy: -533.285 Base-Backbone interact. energy: 2.561 local terms energy: -623.580213 where: bonds (distance) C4'-P energy: -139.900 bonds (distance) P-C4' energy: -135.591 flat angles C4'-P-C4' energy: -127.372 flat angles P-C4'-P energy: -83.673 tors. eta vs tors. theta energy: -137.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1607.225593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.225593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.225593 (E_RNA) where: Base-Base interactions energy: -1035.641 where: short stacking energy: -461.077 Base-Backbone interact. energy: -0.046 local terms energy: -571.538763 where: bonds (distance) C4'-P energy: -123.456 bonds (distance) P-C4' energy: -136.990 flat angles C4'-P-C4' energy: -139.675 flat angles P-C4'-P energy: -77.494 tors. eta vs tors. theta energy: -93.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1456.779530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.779530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.779530 (E_RNA) where: Base-Base interactions energy: -930.330 where: short stacking energy: -416.351 Base-Backbone interact. energy: 3.989 local terms energy: -530.438830 where: bonds (distance) C4'-P energy: -128.706 bonds (distance) P-C4' energy: -100.492 flat angles C4'-P-C4' energy: -138.785 flat angles P-C4'-P energy: -87.852 tors. eta vs tors. theta energy: -74.605 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: 9, replica: 9 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1254.623491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.623491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.623491 (E_RNA) where: Base-Base interactions energy: -778.437 where: short stacking energy: -356.888 Base-Backbone interact. energy: 0.552 local terms energy: -476.739151 where: bonds (distance) C4'-P energy: -108.020 bonds (distance) P-C4' energy: -108.794 flat angles C4'-P-C4' energy: -120.321 flat angles P-C4'-P energy: -85.507 tors. eta vs tors. theta energy: -54.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -901.699164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.699164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.699164 (E_RNA) where: Base-Base interactions energy: -507.422 where: short stacking energy: -279.599 Base-Backbone interact. energy: -2.458 local terms energy: -391.819230 where: bonds (distance) C4'-P energy: -105.441 bonds (distance) P-C4' energy: -103.718 flat angles C4'-P-C4' energy: -109.505 flat angles P-C4'-P energy: -57.537 tors. eta vs tors. theta energy: -15.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2587.336645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.336645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.336645 (E_RNA) where: Base-Base interactions energy: -1816.780 where: short stacking energy: -788.216 Base-Backbone interact. energy: -5.531 local terms energy: -765.025560 where: bonds (distance) C4'-P energy: -133.313 bonds (distance) P-C4' energy: -140.392 flat angles C4'-P-C4' energy: -174.983 flat angles P-C4'-P energy: -101.827 tors. eta vs tors. theta energy: -214.511 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: 8 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2468.689069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.689069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.689069 (E_RNA) where: Base-Base interactions energy: -1688.270 where: short stacking energy: -763.395 Base-Backbone interact. energy: -2.587 local terms energy: -777.831985 where: bonds (distance) C4'-P energy: -122.537 bonds (distance) P-C4' energy: -140.551 flat angles C4'-P-C4' energy: -182.172 flat angles P-C4'-P energy: -113.395 tors. eta vs tors. theta energy: -219.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2419.869606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.869606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.869606 (E_RNA) where: Base-Base interactions energy: -1648.243 where: short stacking energy: -708.195 Base-Backbone interact. energy: -2.598 local terms energy: -769.028280 where: bonds (distance) C4'-P energy: -155.246 bonds (distance) P-C4' energy: -151.291 flat angles C4'-P-C4' energy: -150.153 flat angles P-C4'-P energy: -108.832 tors. eta vs tors. theta energy: -203.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2180.771852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.771852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.771852 (E_RNA) where: Base-Base interactions energy: -1474.050 where: short stacking energy: -644.047 Base-Backbone interact. energy: -0.405 local terms energy: -706.317058 where: bonds (distance) C4'-P energy: -136.911 bonds (distance) P-C4' energy: -131.944 flat angles C4'-P-C4' energy: -167.538 flat angles P-C4'-P energy: -99.860 tors. eta vs tors. theta energy: -170.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2024.439118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.439118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.439118 (E_RNA) where: Base-Base interactions energy: -1330.298 where: short stacking energy: -586.637 Base-Backbone interact. energy: -0.439 local terms energy: -693.701829 where: bonds (distance) C4'-P energy: -133.648 bonds (distance) P-C4' energy: -134.824 flat angles C4'-P-C4' energy: -161.361 flat angles P-C4'-P energy: -97.613 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: 6, replica: 3 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1780.430588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.430588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.430588 (E_RNA) where: Base-Base interactions energy: -1191.913 where: short stacking energy: -503.151 Base-Backbone interact. energy: -2.069 local terms energy: -586.448389 where: bonds (distance) C4'-P energy: -116.145 bonds (distance) P-C4' energy: -127.044 flat angles C4'-P-C4' energy: -144.559 flat angles P-C4'-P energy: -88.377 tors. eta vs tors. theta energy: -110.324 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: 159 Temperature: 1.200000 Total energy: -1614.746156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.746156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.746156 (E_RNA) where: Base-Base interactions energy: -1036.511 where: short stacking energy: -482.022 Base-Backbone interact. energy: -2.458 local terms energy: -575.777259 where: bonds (distance) C4'-P energy: -116.645 bonds (distance) P-C4' energy: -114.275 flat angles C4'-P-C4' energy: -133.280 flat angles P-C4'-P energy: -104.172 tors. eta vs tors. theta energy: -107.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1402.807433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.807433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.807433 (E_RNA) where: Base-Base interactions energy: -875.083 where: short stacking energy: -394.986 Base-Backbone interact. energy: 1.535 local terms energy: -529.260330 where: bonds (distance) C4'-P energy: -122.268 bonds (distance) P-C4' energy: -124.059 flat angles C4'-P-C4' energy: -124.666 flat angles P-C4'-P energy: -85.929 tors. eta vs tors. theta energy: -72.338 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: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1238.299585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.299585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.299585 (E_RNA) where: Base-Base interactions energy: -758.110 where: short stacking energy: -358.708 Base-Backbone interact. energy: 0.990 local terms energy: -481.179412 where: bonds (distance) C4'-P energy: -116.038 bonds (distance) P-C4' energy: -130.233 flat angles C4'-P-C4' energy: -110.126 flat angles P-C4'-P energy: -73.880 tors. eta vs tors. theta energy: -50.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -829.518212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.518212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.518212 (E_RNA) where: Base-Base interactions energy: -406.367 where: short stacking energy: -222.959 Base-Backbone interact. energy: -0.840 local terms energy: -422.311705 where: bonds (distance) C4'-P energy: -122.143 bonds (distance) P-C4' energy: -111.793 flat angles C4'-P-C4' energy: -110.768 flat angles P-C4'-P energy: -68.144 tors. eta vs tors. theta energy: -9.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2533.179618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.179618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.179618 (E_RNA) where: Base-Base interactions energy: -1718.801 where: short stacking energy: -779.311 Base-Backbone interact. energy: -1.510 local terms energy: -812.868438 where: bonds (distance) C4'-P energy: -160.241 bonds (distance) P-C4' energy: -150.013 flat angles C4'-P-C4' energy: -161.337 flat angles P-C4'-P energy: -109.322 tors. eta vs tors. theta energy: -231.956 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: 1 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2521.943511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.943511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.943511 (E_RNA) where: Base-Base interactions energy: -1750.656 where: short stacking energy: -750.759 Base-Backbone interact. energy: -3.681 local terms energy: -767.606905 where: bonds (distance) C4'-P energy: -119.407 bonds (distance) P-C4' energy: -157.384 flat angles C4'-P-C4' energy: -169.901 flat angles P-C4'-P energy: -104.041 tors. eta vs tors. theta energy: -216.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2402.557897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.557897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.557897 (E_RNA) where: Base-Base interactions energy: -1654.965 where: short stacking energy: -740.706 Base-Backbone interact. energy: -0.438 local terms energy: -747.155020 where: bonds (distance) C4'-P energy: -137.521 bonds (distance) P-C4' energy: -133.988 flat angles C4'-P-C4' energy: -164.133 flat angles P-C4'-P energy: -99.748 tors. eta vs tors. theta energy: -211.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2220.906444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.906444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.906444 (E_RNA) where: Base-Base interactions energy: -1507.636 where: short stacking energy: -655.018 Base-Backbone interact. energy: -1.129 local terms energy: -712.141568 where: bonds (distance) C4'-P energy: -143.202 bonds (distance) P-C4' energy: -125.472 flat angles C4'-P-C4' energy: -170.094 flat angles P-C4'-P energy: -77.660 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: 5, replica: 7 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1981.920141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.920141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.920141 (E_RNA) where: Base-Base interactions energy: -1318.956 where: short stacking energy: -594.773 Base-Backbone interact. energy: -3.460 local terms energy: -659.504217 where: bonds (distance) C4'-P energy: -118.639 bonds (distance) P-C4' energy: -142.686 flat angles C4'-P-C4' energy: -143.207 flat angles P-C4'-P energy: -94.354 tors. eta vs tors. theta energy: -160.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1835.917582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.917582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.917582 (E_RNA) where: Base-Base interactions energy: -1243.296 where: short stacking energy: -550.698 Base-Backbone interact. energy: -3.110 local terms energy: -589.511838 where: bonds (distance) C4'-P energy: -116.261 bonds (distance) P-C4' energy: -114.753 flat angles C4'-P-C4' energy: -136.632 flat angles P-C4'-P energy: -93.411 tors. eta vs tors. theta energy: -128.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1594.589046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.589046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.589046 (E_RNA) where: Base-Base interactions energy: -1024.738 where: short stacking energy: -468.692 Base-Backbone interact. energy: -2.371 local terms energy: -567.480261 where: bonds (distance) C4'-P energy: -121.036 bonds (distance) P-C4' energy: -124.610 flat angles C4'-P-C4' energy: -131.433 flat angles P-C4'-P energy: -78.677 tors. eta vs tors. theta energy: -111.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1425.372757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.372757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.372757 (E_RNA) where: Base-Base interactions energy: -908.239 where: short stacking energy: -404.988 Base-Backbone interact. energy: -2.719 local terms energy: -514.414831 where: bonds (distance) C4'-P energy: -115.788 bonds (distance) P-C4' energy: -136.581 flat angles C4'-P-C4' energy: -112.581 flat angles P-C4'-P energy: -76.419 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: 9, replica: 9 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1207.013160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.013160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.013160 (E_RNA) where: Base-Base interactions energy: -740.864 where: short stacking energy: -370.462 Base-Backbone interact. energy: 0.737 local terms energy: -466.886636 where: bonds (distance) C4'-P energy: -120.842 bonds (distance) P-C4' energy: -113.944 flat angles C4'-P-C4' energy: -110.257 flat angles P-C4'-P energy: -87.636 tors. eta vs tors. theta energy: -34.208 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: 5 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -834.153157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.153157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.153157 (E_RNA) where: Base-Base interactions energy: -406.186 where: short stacking energy: -203.497 Base-Backbone interact. energy: 1.354 local terms energy: -429.321880 where: bonds (distance) C4'-P energy: -105.945 bonds (distance) P-C4' energy: -146.486 flat angles C4'-P-C4' energy: -127.858 flat angles P-C4'-P energy: -57.328 tors. eta vs tors. theta energy: 8.295 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: 8 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2550.380279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.380279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.380279 (E_RNA) where: Base-Base interactions energy: -1762.429 where: short stacking energy: -768.278 Base-Backbone interact. energy: -3.174 local terms energy: -784.777430 where: bonds (distance) C4'-P energy: -141.667 bonds (distance) P-C4' energy: -149.649 flat angles C4'-P-C4' energy: -169.032 flat angles P-C4'-P energy: -102.234 tors. eta vs tors. theta energy: -222.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2502.622913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.622913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.622913 (E_RNA) where: Base-Base interactions energy: -1754.125 where: short stacking energy: -705.454 Base-Backbone interact. energy: -2.550 local terms energy: -745.947362 where: bonds (distance) C4'-P energy: -125.123 bonds (distance) P-C4' energy: -149.752 flat angles C4'-P-C4' energy: -166.542 flat angles P-C4'-P energy: -111.109 tors. eta vs tors. theta energy: -193.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2401.085063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.085063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.085063 (E_RNA) where: Base-Base interactions energy: -1650.361 where: short stacking energy: -703.061 Base-Backbone interact. energy: -4.872 local terms energy: -745.852114 where: bonds (distance) C4'-P energy: -132.673 bonds (distance) P-C4' energy: -134.826 flat angles C4'-P-C4' energy: -154.648 flat angles P-C4'-P energy: -109.604 tors. eta vs tors. theta energy: -214.100 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: 4, replica: 10 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2194.642935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.642935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.642935 (E_RNA) where: Base-Base interactions energy: -1493.165 where: short stacking energy: -648.873 Base-Backbone interact. energy: -1.193 local terms energy: -700.285257 where: bonds (distance) C4'-P energy: -134.925 bonds (distance) P-C4' energy: -130.033 flat angles C4'-P-C4' energy: -136.639 flat angles P-C4'-P energy: -103.124 tors. eta vs tors. theta energy: -195.564 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: 7 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1961.943763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.943763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.943763 (E_RNA) where: Base-Base interactions energy: -1292.068 where: short stacking energy: -582.408 Base-Backbone interact. energy: -1.639 local terms energy: -668.236697 where: bonds (distance) C4'-P energy: -124.031 bonds (distance) P-C4' energy: -147.162 flat angles C4'-P-C4' energy: -151.452 flat angles P-C4'-P energy: -93.301 tors. eta vs tors. theta energy: -152.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1863.759372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.759372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.759372 (E_RNA) where: Base-Base interactions energy: -1233.661 where: short stacking energy: -516.440 Base-Backbone interact. energy: -4.545 local terms energy: -625.553307 where: bonds (distance) C4'-P energy: -122.440 bonds (distance) P-C4' energy: -137.752 flat angles C4'-P-C4' energy: -134.490 flat angles P-C4'-P energy: -100.833 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: 7, replica: 6 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1532.052415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.052415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.052415 (E_RNA) where: Base-Base interactions energy: -991.221 where: short stacking energy: -439.786 Base-Backbone interact. energy: 5.481 local terms energy: -546.312953 where: bonds (distance) C4'-P energy: -128.656 bonds (distance) P-C4' energy: -122.314 flat angles C4'-P-C4' energy: -128.145 flat angles P-C4'-P energy: -87.122 tors. eta vs tors. theta energy: -80.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1447.311608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.311608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.311608 (E_RNA) where: Base-Base interactions energy: -944.381 where: short stacking energy: -425.791 Base-Backbone interact. energy: 2.583 local terms energy: -505.513383 where: bonds (distance) C4'-P energy: -123.914 bonds (distance) P-C4' energy: -114.636 flat angles C4'-P-C4' energy: -104.430 flat angles P-C4'-P energy: -87.839 tors. eta vs tors. theta energy: -74.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1173.204767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.204767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.204767 (E_RNA) where: Base-Base interactions energy: -717.299 where: short stacking energy: -340.037 Base-Backbone interact. energy: 0.995 local terms energy: -456.900030 where: bonds (distance) C4'-P energy: -125.088 bonds (distance) P-C4' energy: -110.141 flat angles C4'-P-C4' energy: -128.475 flat angles P-C4'-P energy: -49.265 tors. eta vs tors. theta energy: -43.931 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: 10, replica: 5 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -903.165422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.165422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.165422 (E_RNA) where: Base-Base interactions energy: -487.784 where: short stacking energy: -295.091 Base-Backbone interact. energy: 2.639 local terms energy: -418.020519 where: bonds (distance) C4'-P energy: -113.879 bonds (distance) P-C4' energy: -109.672 flat angles C4'-P-C4' energy: -103.797 flat angles P-C4'-P energy: -64.370 tors. eta vs tors. theta energy: -26.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2534.454219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.454219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.454219 (E_RNA) where: Base-Base interactions energy: -1724.273 where: short stacking energy: -776.667 Base-Backbone interact. energy: 1.562 local terms energy: -811.742889 where: bonds (distance) C4'-P energy: -149.166 bonds (distance) P-C4' energy: -152.046 flat angles C4'-P-C4' energy: -170.974 flat angles P-C4'-P energy: -110.340 tors. eta vs tors. theta energy: -229.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2479.950897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.950897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.950897 (E_RNA) where: Base-Base interactions energy: -1723.097 where: short stacking energy: -720.296 Base-Backbone interact. energy: -1.609 local terms energy: -755.244515 where: bonds (distance) C4'-P energy: -144.642 bonds (distance) P-C4' energy: -158.560 flat angles C4'-P-C4' energy: -161.584 flat angles P-C4'-P energy: -89.196 tors. eta vs tors. theta energy: -201.262 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: 4 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2468.413372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.413372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.413372 (E_RNA) where: Base-Base interactions energy: -1697.799 where: short stacking energy: -745.780 Base-Backbone interact. energy: -5.300 local terms energy: -765.314396 where: bonds (distance) C4'-P energy: -143.194 bonds (distance) P-C4' energy: -140.258 flat angles C4'-P-C4' energy: -166.117 flat angles P-C4'-P energy: -91.017 tors. eta vs tors. theta energy: -224.729 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: 10 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2246.333885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.333885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.333885 (E_RNA) where: Base-Base interactions energy: -1519.223 where: short stacking energy: -672.994 Base-Backbone interact. energy: -6.274 local terms energy: -720.837309 where: bonds (distance) C4'-P energy: -124.003 bonds (distance) P-C4' energy: -149.212 flat angles C4'-P-C4' energy: -151.215 flat angles P-C4'-P energy: -103.116 tors. eta vs tors. theta energy: -193.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2007.164564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.164564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.164564 (E_RNA) where: Base-Base interactions energy: -1318.443 where: short stacking energy: -586.778 Base-Backbone interact. energy: -3.992 local terms energy: -684.729497 where: bonds (distance) C4'-P energy: -133.786 bonds (distance) P-C4' energy: -141.058 flat angles C4'-P-C4' energy: -145.836 flat angles P-C4'-P energy: -91.535 tors. eta vs tors. theta energy: -172.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1790.586197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.586197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.586197 (E_RNA) where: Base-Base interactions energy: -1188.399 where: short stacking energy: -472.979 Base-Backbone interact. energy: 3.407 local terms energy: -605.594355 where: bonds (distance) C4'-P energy: -122.579 bonds (distance) P-C4' energy: -128.770 flat angles C4'-P-C4' energy: -148.015 flat angles P-C4'-P energy: -91.226 tors. eta vs tors. theta energy: -115.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1658.085886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.085886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.085886 (E_RNA) where: Base-Base interactions energy: -1054.038 where: short stacking energy: -490.906 Base-Backbone interact. energy: 4.863 local terms energy: -608.910517 where: bonds (distance) C4'-P energy: -133.070 bonds (distance) P-C4' energy: -121.590 flat angles C4'-P-C4' energy: -138.523 flat angles P-C4'-P energy: -97.909 tors. eta vs tors. theta energy: -117.819 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: 6 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1472.082406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.082406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.082406 (E_RNA) where: Base-Base interactions energy: -938.437 where: short stacking energy: -411.665 Base-Backbone interact. energy: -1.265 local terms energy: -532.380021 where: bonds (distance) C4'-P energy: -112.427 bonds (distance) P-C4' energy: -131.572 flat angles C4'-P-C4' energy: -136.040 flat angles P-C4'-P energy: -79.954 tors. eta vs tors. theta energy: -72.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1191.722866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.722866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.722866 (E_RNA) where: Base-Base interactions energy: -736.167 where: short stacking energy: -368.002 Base-Backbone interact. energy: -0.973 local terms energy: -454.583106 where: bonds (distance) C4'-P energy: -114.165 bonds (distance) P-C4' energy: -116.211 flat angles C4'-P-C4' energy: -103.363 flat angles P-C4'-P energy: -63.188 tors. eta vs tors. theta energy: -57.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -896.586138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.586138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.586138 (E_RNA) where: Base-Base interactions energy: -504.438 where: short stacking energy: -262.920 Base-Backbone interact. energy: -1.753 local terms energy: -390.395236 where: bonds (distance) C4'-P energy: -122.677 bonds (distance) P-C4' energy: -130.254 flat angles C4'-P-C4' energy: -83.166 flat angles P-C4'-P energy: -52.450 tors. eta vs tors. theta energy: -1.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2515.772870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.772870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.772870 (E_RNA) where: Base-Base interactions energy: -1703.605 where: short stacking energy: -753.371 Base-Backbone interact. energy: -0.891 local terms energy: -811.277008 where: bonds (distance) C4'-P energy: -155.585 bonds (distance) P-C4' energy: -147.673 flat angles C4'-P-C4' energy: -173.800 flat angles P-C4'-P energy: -122.523 tors. eta vs tors. theta energy: -211.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2486.783870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.783870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.783870 (E_RNA) where: Base-Base interactions energy: -1716.933 where: short stacking energy: -694.948 Base-Backbone interact. energy: 4.042 local terms energy: -773.892757 where: bonds (distance) C4'-P energy: -149.327 bonds (distance) P-C4' energy: -154.233 flat angles C4'-P-C4' energy: -159.276 flat angles P-C4'-P energy: -104.401 tors. eta vs tors. theta energy: -206.656 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: 4 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2440.405380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.405380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.405380 (E_RNA) where: Base-Base interactions energy: -1685.264 where: short stacking energy: -739.035 Base-Backbone interact. energy: -2.133 local terms energy: -753.008463 where: bonds (distance) C4'-P energy: -124.715 bonds (distance) P-C4' energy: -144.534 flat angles C4'-P-C4' energy: -163.365 flat angles P-C4'-P energy: -99.160 tors. eta vs tors. theta energy: -221.235 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: 10 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2205.747576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.747576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.747576 (E_RNA) where: Base-Base interactions energy: -1482.133 where: short stacking energy: -666.669 Base-Backbone interact. energy: -1.183 local terms energy: -722.431628 where: bonds (distance) C4'-P energy: -131.528 bonds (distance) P-C4' energy: -148.631 flat angles C4'-P-C4' energy: -151.011 flat angles P-C4'-P energy: -104.286 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: 5, replica: 7 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2013.312731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.312731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.312731 (E_RNA) where: Base-Base interactions energy: -1326.460 where: short stacking energy: -591.866 Base-Backbone interact. energy: -1.833 local terms energy: -685.020383 where: bonds (distance) C4'-P energy: -145.368 bonds (distance) P-C4' energy: -143.109 flat angles C4'-P-C4' energy: -140.641 flat angles P-C4'-P energy: -89.541 tors. eta vs tors. theta energy: -166.361 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: 6, replica: 3 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1812.374968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.374968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.374968 (E_RNA) where: Base-Base interactions energy: -1174.083 where: short stacking energy: -515.970 Base-Backbone interact. energy: -1.538 local terms energy: -636.753579 where: bonds (distance) C4'-P energy: -109.623 bonds (distance) P-C4' energy: -145.925 flat angles C4'-P-C4' energy: -154.849 flat angles P-C4'-P energy: -91.640 tors. eta vs tors. theta energy: -134.717 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: 7, replica: 2 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1663.176655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.176655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.176655 (E_RNA) where: Base-Base interactions energy: -1103.277 where: short stacking energy: -502.776 Base-Backbone interact. energy: -1.661 local terms energy: -558.238945 where: bonds (distance) C4'-P energy: -107.101 bonds (distance) P-C4' energy: -120.476 flat angles C4'-P-C4' energy: -139.439 flat angles P-C4'-P energy: -83.696 tors. eta vs tors. theta energy: -107.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1447.475506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.475506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.475506 (E_RNA) where: Base-Base interactions energy: -892.367 where: short stacking energy: -406.439 Base-Backbone interact. energy: 0.648 local terms energy: -555.756676 where: bonds (distance) C4'-P energy: -117.303 bonds (distance) P-C4' energy: -130.357 flat angles C4'-P-C4' energy: -138.081 flat angles P-C4'-P energy: -92.777 tors. eta vs tors. theta energy: -77.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1115.731212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.731212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.731212 (E_RNA) where: Base-Base interactions energy: -674.786 where: short stacking energy: -357.703 Base-Backbone interact. energy: 1.717 local terms energy: -442.662287 where: bonds (distance) C4'-P energy: -105.373 bonds (distance) P-C4' energy: -125.451 flat angles C4'-P-C4' energy: -94.367 flat angles P-C4'-P energy: -63.531 tors. eta vs tors. theta energy: -53.939 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: 5 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -914.227375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.227375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.227375 (E_RNA) where: Base-Base interactions energy: -502.827 where: short stacking energy: -283.058 Base-Backbone interact. energy: -2.293 local terms energy: -409.107379 where: bonds (distance) C4'-P energy: -109.759 bonds (distance) P-C4' energy: -112.082 flat angles C4'-P-C4' energy: -118.142 flat angles P-C4'-P energy: -63.977 tors. eta vs tors. theta energy: -5.147 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: 8 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2527.344921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.344921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.344921 (E_RNA) where: Base-Base interactions energy: -1699.369 where: short stacking energy: -777.651 Base-Backbone interact. energy: -0.937 local terms energy: -827.039413 where: bonds (distance) C4'-P energy: -159.885 bonds (distance) P-C4' energy: -148.480 flat angles C4'-P-C4' energy: -177.723 flat angles P-C4'-P energy: -108.904 tors. eta vs tors. theta energy: -232.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2520.797275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.797275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.797275 (E_RNA) where: Base-Base interactions energy: -1761.058 where: short stacking energy: -734.916 Base-Backbone interact. energy: -4.184 local terms energy: -755.555737 where: bonds (distance) C4'-P energy: -132.552 bonds (distance) P-C4' energy: -138.290 flat angles C4'-P-C4' energy: -175.462 flat angles P-C4'-P energy: -111.650 tors. eta vs tors. theta energy: -197.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2413.235894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.235894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.235894 (E_RNA) where: Base-Base interactions energy: -1659.031 where: short stacking energy: -733.819 Base-Backbone interact. energy: -1.660 local terms energy: -752.544996 where: bonds (distance) C4'-P energy: -133.220 bonds (distance) P-C4' energy: -142.714 flat angles C4'-P-C4' energy: -161.564 flat angles P-C4'-P energy: -107.950 tors. eta vs tors. theta energy: -207.097 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: 10 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2165.823384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.823384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.823384 (E_RNA) where: Base-Base interactions energy: -1444.709 where: short stacking energy: -638.728 Base-Backbone interact. energy: -3.304 local terms energy: -717.810473 where: bonds (distance) C4'-P energy: -112.899 bonds (distance) P-C4' energy: -146.522 flat angles C4'-P-C4' energy: -167.926 flat angles P-C4'-P energy: -111.521 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: 5, replica: 7 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1999.852008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.852008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.852008 (E_RNA) where: Base-Base interactions energy: -1332.922 where: short stacking energy: -605.880 Base-Backbone interact. energy: 1.423 local terms energy: -668.352586 where: bonds (distance) C4'-P energy: -118.775 bonds (distance) P-C4' energy: -145.089 flat angles C4'-P-C4' energy: -157.537 flat angles P-C4'-P energy: -92.501 tors. eta vs tors. theta energy: -154.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1838.102879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.102879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.102879 (E_RNA) where: Base-Base interactions energy: -1202.045 where: short stacking energy: -495.903 Base-Backbone interact. energy: -3.716 local terms energy: -632.342208 where: bonds (distance) C4'-P energy: -128.574 bonds (distance) P-C4' energy: -141.760 flat angles C4'-P-C4' energy: -153.700 flat angles P-C4'-P energy: -81.808 tors. eta vs tors. theta energy: -126.501 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: 2 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1625.890680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.890680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.890680 (E_RNA) where: Base-Base interactions energy: -1088.769 where: short stacking energy: -489.239 Base-Backbone interact. energy: 0.622 local terms energy: -537.744178 where: bonds (distance) C4'-P energy: -117.725 bonds (distance) P-C4' energy: -100.972 flat angles C4'-P-C4' energy: -134.372 flat angles P-C4'-P energy: -73.179 tors. eta vs tors. theta energy: -111.496 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: 6 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1515.507970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.507970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.507970 (E_RNA) where: Base-Base interactions energy: -973.155 where: short stacking energy: -430.890 Base-Backbone interact. energy: 3.185 local terms energy: -545.537960 where: bonds (distance) C4'-P energy: -127.863 bonds (distance) P-C4' energy: -137.354 flat angles C4'-P-C4' energy: -115.772 flat angles P-C4'-P energy: -78.791 tors. eta vs tors. theta energy: -85.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1138.323286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.323286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.323286 (E_RNA) where: Base-Base interactions energy: -658.329 where: short stacking energy: -321.113 Base-Backbone interact. energy: -1.820 local terms energy: -478.174277 where: bonds (distance) C4'-P energy: -118.019 bonds (distance) P-C4' energy: -136.139 flat angles C4'-P-C4' energy: -106.204 flat angles P-C4'-P energy: -85.280 tors. eta vs tors. theta energy: -32.532 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: 5 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -919.354244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.354244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.354244 (E_RNA) where: Base-Base interactions energy: -482.209 where: short stacking energy: -262.623 Base-Backbone interact. energy: 3.103 local terms energy: -440.247935 where: bonds (distance) C4'-P energy: -96.626 bonds (distance) P-C4' energy: -124.450 flat angles C4'-P-C4' energy: -112.975 flat angles P-C4'-P energy: -68.895 tors. eta vs tors. theta energy: -37.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2534.135558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.135558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.135558 (E_RNA) where: Base-Base interactions energy: -1692.261 where: short stacking energy: -757.929 Base-Backbone interact. energy: -2.905 local terms energy: -838.969964 where: bonds (distance) C4'-P energy: -154.287 bonds (distance) P-C4' energy: -157.152 flat angles C4'-P-C4' energy: -179.674 flat angles P-C4'-P energy: -114.388 tors. eta vs tors. theta energy: -233.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2493.723787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.723787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.723787 (E_RNA) where: Base-Base interactions energy: -1738.178 where: short stacking energy: -743.069 Base-Backbone interact. energy: -2.796 local terms energy: -752.749837 where: bonds (distance) C4'-P energy: -150.701 bonds (distance) P-C4' energy: -129.385 flat angles C4'-P-C4' energy: -166.216 flat angles P-C4'-P energy: -108.053 tors. eta vs tors. theta energy: -198.395 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: 4 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2459.143763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.143763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.143763 (E_RNA) where: Base-Base interactions energy: -1693.370 where: short stacking energy: -740.982 Base-Backbone interact. energy: -3.025 local terms energy: -762.748018 where: bonds (distance) C4'-P energy: -130.016 bonds (distance) P-C4' energy: -140.130 flat angles C4'-P-C4' energy: -159.407 flat angles P-C4'-P energy: -105.585 tors. eta vs tors. theta energy: -227.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2184.009565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.009565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.009565 (E_RNA) where: Base-Base interactions energy: -1467.033 where: short stacking energy: -668.057 Base-Backbone interact. energy: -2.391 local terms energy: -714.585176 where: bonds (distance) C4'-P energy: -138.693 bonds (distance) P-C4' energy: -117.458 flat angles C4'-P-C4' energy: -154.905 flat angles P-C4'-P energy: -109.101 tors. eta vs tors. theta energy: -194.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1992.721977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.721977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.721977 (E_RNA) where: Base-Base interactions energy: -1305.488 where: short stacking energy: -608.050 Base-Backbone interact. energy: -3.551 local terms energy: -683.683372 where: bonds (distance) C4'-P energy: -139.528 bonds (distance) P-C4' energy: -133.892 flat angles C4'-P-C4' energy: -144.291 flat angles P-C4'-P energy: -100.133 tors. eta vs tors. theta energy: -165.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1823.417382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.417382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.417382 (E_RNA) where: Base-Base interactions energy: -1218.580 where: short stacking energy: -544.987 Base-Backbone interact. energy: -5.348 local terms energy: -599.489862 where: bonds (distance) C4'-P energy: -108.445 bonds (distance) P-C4' energy: -130.967 flat angles C4'-P-C4' energy: -140.054 flat angles P-C4'-P energy: -91.971 tors. eta vs tors. theta energy: -128.054 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: 2 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1670.806441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.806441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.806441 (E_RNA) where: Base-Base interactions energy: -1080.595 where: short stacking energy: -485.392 Base-Backbone interact. energy: 3.856 local terms energy: -594.067203 where: bonds (distance) C4'-P energy: -131.741 bonds (distance) P-C4' energy: -120.322 flat angles C4'-P-C4' energy: -143.193 flat angles P-C4'-P energy: -86.800 tors. eta vs tors. theta energy: -112.011 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: 6 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1545.697523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.697523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.697523 (E_RNA) where: Base-Base interactions energy: -1003.437 where: short stacking energy: -429.483 Base-Backbone interact. energy: 0.302 local terms energy: -542.562409 where: bonds (distance) C4'-P energy: -128.646 bonds (distance) P-C4' energy: -127.199 flat angles C4'-P-C4' energy: -115.155 flat angles P-C4'-P energy: -88.581 tors. eta vs tors. theta energy: -82.982 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: 165 Temperature: 1.300000 Total energy: -1132.789065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.789065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.789065 (E_RNA) where: Base-Base interactions energy: -660.133 where: short stacking energy: -312.044 Base-Backbone interact. energy: -0.345 local terms energy: -472.310620 where: bonds (distance) C4'-P energy: -100.238 bonds (distance) P-C4' energy: -127.796 flat angles C4'-P-C4' energy: -134.243 flat angles P-C4'-P energy: -79.871 tors. eta vs tors. theta energy: -30.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -907.429683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.429683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.429683 (E_RNA) where: Base-Base interactions energy: -498.594 where: short stacking energy: -290.169 Base-Backbone interact. energy: 0.632 local terms energy: -409.467527 where: bonds (distance) C4'-P energy: -107.753 bonds (distance) P-C4' energy: -111.732 flat angles C4'-P-C4' energy: -97.261 flat angles P-C4'-P energy: -74.371 tors. eta vs tors. theta energy: -18.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2574.756711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.756711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.756711 (E_RNA) where: Base-Base interactions energy: -1798.273 where: short stacking energy: -769.732 Base-Backbone interact. energy: -2.722 local terms energy: -773.761084 where: bonds (distance) C4'-P energy: -135.569 bonds (distance) P-C4' energy: -142.820 flat angles C4'-P-C4' energy: -172.082 flat angles P-C4'-P energy: -114.486 tors. eta vs tors. theta energy: -208.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2502.861632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.861632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.861632 (E_RNA) where: Base-Base interactions energy: -1712.840 where: short stacking energy: -769.791 Base-Backbone interact. energy: -1.040 local terms energy: -788.981479 where: bonds (distance) C4'-P energy: -137.948 bonds (distance) P-C4' energy: -145.798 flat angles C4'-P-C4' energy: -163.960 flat angles P-C4'-P energy: -109.346 tors. eta vs tors. theta energy: -231.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2424.691225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.691225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.691225 (E_RNA) where: Base-Base interactions energy: -1660.270 where: short stacking energy: -714.147 Base-Backbone interact. energy: 0.038 local terms energy: -764.458445 where: bonds (distance) C4'-P energy: -151.679 bonds (distance) P-C4' energy: -138.116 flat angles C4'-P-C4' energy: -147.919 flat angles P-C4'-P energy: -108.694 tors. eta vs tors. theta energy: -218.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2198.806247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.806247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.806247 (E_RNA) where: Base-Base interactions energy: -1489.472 where: short stacking energy: -658.140 Base-Backbone interact. energy: -5.203 local terms energy: -704.131291 where: bonds (distance) C4'-P energy: -139.321 bonds (distance) P-C4' energy: -118.988 flat angles C4'-P-C4' energy: -151.730 flat angles P-C4'-P energy: -99.606 tors. eta vs tors. theta energy: -194.487 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: 166 Temperature: 1.100000 Total energy: -2011.904789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.904789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.904789 (E_RNA) where: Base-Base interactions energy: -1311.937 where: short stacking energy: -571.479 Base-Backbone interact. energy: -3.005 local terms energy: -696.962861 where: bonds (distance) C4'-P energy: -136.180 bonds (distance) P-C4' energy: -141.926 flat angles C4'-P-C4' energy: -158.395 flat angles P-C4'-P energy: -102.971 tors. eta vs tors. theta energy: -157.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1764.225382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.225382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.225382 (E_RNA) where: Base-Base interactions energy: -1135.361 where: short stacking energy: -517.403 Base-Backbone interact. energy: -0.678 local terms energy: -628.185873 where: bonds (distance) C4'-P energy: -117.031 bonds (distance) P-C4' energy: -141.194 flat angles C4'-P-C4' energy: -138.858 flat angles P-C4'-P energy: -91.592 tors. eta vs tors. theta energy: -139.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1729.043476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.043476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.043476 (E_RNA) where: Base-Base interactions energy: -1124.620 where: short stacking energy: -512.838 Base-Backbone interact. energy: 0.991 local terms energy: -605.414703 where: bonds (distance) C4'-P energy: -133.174 bonds (distance) P-C4' energy: -123.401 flat angles C4'-P-C4' energy: -142.105 flat angles P-C4'-P energy: -78.931 tors. eta vs tors. theta energy: -127.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1581.674351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.674351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.674351 (E_RNA) where: Base-Base interactions energy: -1028.208 where: short stacking energy: -454.894 Base-Backbone interact. energy: -1.878 local terms energy: -551.588555 where: bonds (distance) C4'-P energy: -120.259 bonds (distance) P-C4' energy: -112.766 flat angles C4'-P-C4' energy: -137.457 flat angles P-C4'-P energy: -76.263 tors. eta vs tors. theta energy: -104.843 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: 166 Temperature: 1.300000 Total energy: -1178.297050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.297050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.297050 (E_RNA) where: Base-Base interactions energy: -671.071 where: short stacking energy: -329.987 Base-Backbone interact. energy: -2.526 local terms energy: -504.699541 where: bonds (distance) C4'-P energy: -124.930 bonds (distance) P-C4' energy: -135.273 flat angles C4'-P-C4' energy: -128.699 flat angles P-C4'-P energy: -76.954 tors. eta vs tors. theta energy: -38.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -855.306438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.306438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.306438 (E_RNA) where: Base-Base interactions energy: -453.397 where: short stacking energy: -267.248 Base-Backbone interact. energy: -1.537 local terms energy: -400.372483 where: bonds (distance) C4'-P energy: -103.348 bonds (distance) P-C4' energy: -122.695 flat angles C4'-P-C4' energy: -110.949 flat angles P-C4'-P energy: -39.302 tors. eta vs tors. theta energy: -24.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2549.522024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.522024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.522024 (E_RNA) where: Base-Base interactions energy: -1767.325 where: short stacking energy: -769.158 Base-Backbone interact. energy: -5.412 local terms energy: -776.785464 where: bonds (distance) C4'-P energy: -145.469 bonds (distance) P-C4' energy: -156.651 flat angles C4'-P-C4' energy: -165.200 flat angles P-C4'-P energy: -93.112 tors. eta vs tors. theta energy: -216.354 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: 2, replica: 8 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2477.586103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.586103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.586103 (E_RNA) where: Base-Base interactions energy: -1678.659 where: short stacking energy: -758.879 Base-Backbone interact. energy: -0.408 local terms energy: -798.519097 where: bonds (distance) C4'-P energy: -157.844 bonds (distance) P-C4' energy: -140.327 flat angles C4'-P-C4' energy: -170.839 flat angles P-C4'-P energy: -105.380 tors. eta vs tors. theta energy: -224.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2433.719084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.719084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.719084 (E_RNA) where: Base-Base interactions energy: -1665.562 where: short stacking energy: -736.781 Base-Backbone interact. energy: 0.934 local terms energy: -769.090664 where: bonds (distance) C4'-P energy: -131.836 bonds (distance) P-C4' energy: -164.383 flat angles C4'-P-C4' energy: -157.019 flat angles P-C4'-P energy: -102.093 tors. eta vs tors. theta energy: -213.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2193.662886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.662886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.662886 (E_RNA) where: Base-Base interactions energy: -1474.484 where: short stacking energy: -663.532 Base-Backbone interact. energy: -2.537 local terms energy: -716.641886 where: bonds (distance) C4'-P energy: -134.056 bonds (distance) P-C4' energy: -133.334 flat angles C4'-P-C4' energy: -153.267 flat angles P-C4'-P energy: -105.230 tors. eta vs tors. theta energy: -190.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2042.085620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.085620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.085620 (E_RNA) where: Base-Base interactions energy: -1369.371 where: short stacking energy: -628.189 Base-Backbone interact. energy: -0.398 local terms energy: -672.316996 where: bonds (distance) C4'-P energy: -113.729 bonds (distance) P-C4' energy: -144.318 flat angles C4'-P-C4' energy: -149.931 flat angles P-C4'-P energy: -93.290 tors. eta vs tors. theta energy: -171.048 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: 3 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1755.582921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.582921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.582921 (E_RNA) where: Base-Base interactions energy: -1152.726 where: short stacking energy: -483.328 Base-Backbone interact. energy: 0.979 local terms energy: -603.835942 where: bonds (distance) C4'-P energy: -125.713 bonds (distance) P-C4' energy: -123.717 flat angles C4'-P-C4' energy: -151.532 flat angles P-C4'-P energy: -86.809 tors. eta vs tors. theta energy: -116.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1754.462910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.462910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.462910 (E_RNA) where: Base-Base interactions energy: -1167.929 where: short stacking energy: -476.508 Base-Backbone interact. energy: 1.484 local terms energy: -588.018254 where: bonds (distance) C4'-P energy: -131.935 bonds (distance) P-C4' energy: -112.151 flat angles C4'-P-C4' energy: -131.201 flat angles P-C4'-P energy: -90.306 tors. eta vs tors. theta energy: -122.425 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: 8, replica: 6 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1565.725839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.725839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.725839 (E_RNA) where: Base-Base interactions energy: -1037.309 where: short stacking energy: -467.588 Base-Backbone interact. energy: 5.752 local terms energy: -534.169145 where: bonds (distance) C4'-P energy: -99.606 bonds (distance) P-C4' energy: -129.757 flat angles C4'-P-C4' energy: -119.798 flat angles P-C4'-P energy: -76.230 tors. eta vs tors. theta energy: -108.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1157.903610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.903610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.903610 (E_RNA) where: Base-Base interactions energy: -694.699 where: short stacking energy: -355.909 Base-Backbone interact. energy: -0.269 local terms energy: -462.936010 where: bonds (distance) C4'-P energy: -108.510 bonds (distance) P-C4' energy: -120.795 flat angles C4'-P-C4' energy: -119.347 flat angles P-C4'-P energy: -62.186 tors. eta vs tors. theta energy: -52.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -887.953833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.953833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.953833 (E_RNA) where: Base-Base interactions energy: -450.733 where: short stacking energy: -269.687 Base-Backbone interact. energy: 0.935 local terms energy: -438.155015 where: bonds (distance) C4'-P energy: -102.359 bonds (distance) P-C4' energy: -126.475 flat angles C4'-P-C4' energy: -113.440 flat angles P-C4'-P energy: -73.795 tors. eta vs tors. theta energy: -22.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2535.582499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.582499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.582499 (E_RNA) where: Base-Base interactions energy: -1761.194 where: short stacking energy: -740.993 Base-Backbone interact. energy: -4.592 local terms energy: -769.796063 where: bonds (distance) C4'-P energy: -139.237 bonds (distance) P-C4' energy: -140.715 flat angles C4'-P-C4' energy: -165.238 flat angles P-C4'-P energy: -119.633 tors. eta vs tors. theta energy: -204.972 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: 2, replica: 8 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2487.845741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.845741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.845741 (E_RNA) where: Base-Base interactions energy: -1683.587 where: short stacking energy: -767.277 Base-Backbone interact. energy: -0.012 local terms energy: -804.245997 where: bonds (distance) C4'-P energy: -147.440 bonds (distance) P-C4' energy: -151.306 flat angles C4'-P-C4' energy: -172.576 flat angles P-C4'-P energy: -117.141 tors. eta vs tors. theta energy: -215.782 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: 4 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2447.076584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.076584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.076584 (E_RNA) where: Base-Base interactions energy: -1671.402 where: short stacking energy: -730.445 Base-Backbone interact. energy: -3.305 local terms energy: -772.369453 where: bonds (distance) C4'-P energy: -136.025 bonds (distance) P-C4' energy: -137.148 flat angles C4'-P-C4' energy: -177.644 flat angles P-C4'-P energy: -106.222 tors. eta vs tors. theta energy: -215.330 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: 10 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2137.390954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.390954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.390954 (E_RNA) where: Base-Base interactions energy: -1419.393 where: short stacking energy: -608.376 Base-Backbone interact. energy: -1.462 local terms energy: -716.535877 where: bonds (distance) C4'-P energy: -148.614 bonds (distance) P-C4' energy: -138.276 flat angles C4'-P-C4' energy: -162.672 flat angles P-C4'-P energy: -96.340 tors. eta vs tors. theta energy: -170.634 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: 5, replica: 7 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2018.933004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.933004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.933004 (E_RNA) where: Base-Base interactions energy: -1364.514 where: short stacking energy: -621.318 Base-Backbone interact. energy: 6.066 local terms energy: -660.485123 where: bonds (distance) C4'-P energy: -129.582 bonds (distance) P-C4' energy: -125.133 flat angles C4'-P-C4' energy: -154.439 flat angles P-C4'-P energy: -95.955 tors. eta vs tors. theta energy: -155.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1859.038083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.038083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.038083 (E_RNA) where: Base-Base interactions energy: -1269.039 where: short stacking energy: -539.217 Base-Backbone interact. energy: -2.798 local terms energy: -587.201846 where: bonds (distance) C4'-P energy: -142.677 bonds (distance) P-C4' energy: -93.491 flat angles C4'-P-C4' energy: -123.181 flat angles P-C4'-P energy: -96.628 tors. eta vs tors. theta energy: -131.224 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: 2 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1819.074041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.074041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.074041 (E_RNA) where: Base-Base interactions energy: -1200.802 where: short stacking energy: -549.574 Base-Backbone interact. energy: -1.453 local terms energy: -616.819569 where: bonds (distance) C4'-P energy: -105.464 bonds (distance) P-C4' energy: -139.799 flat angles C4'-P-C4' energy: -127.983 flat angles P-C4'-P energy: -93.295 tors. eta vs tors. theta energy: -150.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1597.792665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.792665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.792665 (E_RNA) where: Base-Base interactions energy: -1041.690 where: short stacking energy: -435.490 Base-Backbone interact. energy: -0.747 local terms energy: -555.355531 where: bonds (distance) C4'-P energy: -106.683 bonds (distance) P-C4' energy: -141.681 flat angles C4'-P-C4' energy: -139.496 flat angles P-C4'-P energy: -82.556 tors. eta vs tors. theta energy: -84.939 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: 168 Temperature: 1.300000 Total energy: -1138.346281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.346281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.346281 (E_RNA) where: Base-Base interactions energy: -679.749 where: short stacking energy: -321.932 Base-Backbone interact. energy: -0.573 local terms energy: -458.024756 where: bonds (distance) C4'-P energy: -101.129 bonds (distance) P-C4' energy: -120.469 flat angles C4'-P-C4' energy: -119.747 flat angles P-C4'-P energy: -52.446 tors. eta vs tors. theta energy: -64.233 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: 5 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -868.144843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.144843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.144843 (E_RNA) where: Base-Base interactions energy: -467.041 where: short stacking energy: -244.419 Base-Backbone interact. energy: -1.925 local terms energy: -399.178972 where: bonds (distance) C4'-P energy: -104.754 bonds (distance) P-C4' energy: -119.827 flat angles C4'-P-C4' energy: -109.708 flat angles P-C4'-P energy: -56.083 tors. eta vs tors. theta energy: -8.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2538.180527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.180527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.180527 (E_RNA) where: Base-Base interactions energy: -1758.604 where: short stacking energy: -762.892 Base-Backbone interact. energy: 3.710 local terms energy: -783.286614 where: bonds (distance) C4'-P energy: -142.004 bonds (distance) P-C4' energy: -146.869 flat angles C4'-P-C4' energy: -161.720 flat angles P-C4'-P energy: -119.293 tors. eta vs tors. theta energy: -213.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2462.103812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.103812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.103812 (E_RNA) where: Base-Base interactions energy: -1662.973 where: short stacking energy: -754.272 Base-Backbone interact. energy: -3.566 local terms energy: -795.564787 where: bonds (distance) C4'-P energy: -139.107 bonds (distance) P-C4' energy: -156.468 flat angles C4'-P-C4' energy: -164.218 flat angles P-C4'-P energy: -107.294 tors. eta vs tors. theta energy: -228.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2405.843439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.843439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.843439 (E_RNA) where: Base-Base interactions energy: -1645.161 where: short stacking energy: -714.816 Base-Backbone interact. energy: -3.735 local terms energy: -756.947241 where: bonds (distance) C4'-P energy: -136.845 bonds (distance) P-C4' energy: -128.436 flat angles C4'-P-C4' energy: -162.003 flat angles P-C4'-P energy: -107.864 tors. eta vs tors. theta energy: -221.799 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: 169 Temperature: 1.050000 Total energy: -2115.847629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.847629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.847629 (E_RNA) where: Base-Base interactions energy: -1374.519 where: short stacking energy: -623.195 Base-Backbone interact. energy: -5.352 local terms energy: -735.976499 where: bonds (distance) C4'-P energy: -152.898 bonds (distance) P-C4' energy: -147.135 flat angles C4'-P-C4' energy: -160.975 flat angles P-C4'-P energy: -103.889 tors. eta vs tors. theta energy: -171.080 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: 10 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2029.087580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.087580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.087580 (E_RNA) where: Base-Base interactions energy: -1346.623 where: short stacking energy: -578.372 Base-Backbone interact. energy: -3.860 local terms energy: -678.604752 where: bonds (distance) C4'-P energy: -139.611 bonds (distance) P-C4' energy: -131.091 flat angles C4'-P-C4' energy: -146.314 flat angles P-C4'-P energy: -88.536 tors. eta vs tors. theta energy: -173.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1816.647245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.647245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.647245 (E_RNA) where: Base-Base interactions energy: -1202.630 where: short stacking energy: -515.192 Base-Backbone interact. energy: -2.274 local terms energy: -611.742674 where: bonds (distance) C4'-P energy: -119.323 bonds (distance) P-C4' energy: -126.818 flat angles C4'-P-C4' energy: -143.556 flat angles P-C4'-P energy: -93.354 tors. eta vs tors. theta energy: -128.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1819.322712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.322712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.322712 (E_RNA) where: Base-Base interactions energy: -1206.958 where: short stacking energy: -517.011 Base-Backbone interact. energy: 1.201 local terms energy: -613.564992 where: bonds (distance) C4'-P energy: -123.008 bonds (distance) P-C4' energy: -121.994 flat angles C4'-P-C4' energy: -144.094 flat angles P-C4'-P energy: -86.629 tors. eta vs tors. theta energy: -137.840 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: 6 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1553.492493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.492493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.492493 (E_RNA) where: Base-Base interactions energy: -1029.022 where: short stacking energy: -467.897 Base-Backbone interact. energy: 0.098 local terms energy: -524.568401 where: bonds (distance) C4'-P energy: -112.586 bonds (distance) P-C4' energy: -116.727 flat angles C4'-P-C4' energy: -142.942 flat angles P-C4'-P energy: -73.026 tors. eta vs tors. theta energy: -79.287 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: 169 Temperature: 1.300000 Total energy: -1123.451031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.451031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.451031 (E_RNA) where: Base-Base interactions energy: -652.980 where: short stacking energy: -302.818 Base-Backbone interact. energy: -2.649 local terms energy: -467.821491 where: bonds (distance) C4'-P energy: -138.454 bonds (distance) P-C4' energy: -123.769 flat angles C4'-P-C4' energy: -103.047 flat angles P-C4'-P energy: -61.687 tors. eta vs tors. theta energy: -40.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -857.704414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.704414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.704414 (E_RNA) where: Base-Base interactions energy: -479.320 where: short stacking energy: -248.936 Base-Backbone interact. energy: -1.708 local terms energy: -376.675836 where: bonds (distance) C4'-P energy: -123.826 bonds (distance) P-C4' energy: -117.651 flat angles C4'-P-C4' energy: -89.116 flat angles P-C4'-P energy: -36.688 tors. eta vs tors. theta energy: -9.395 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: 1 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2521.906131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.906131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.906131 (E_RNA) where: Base-Base interactions energy: -1753.489 where: short stacking energy: -724.584 Base-Backbone interact. energy: -3.296 local terms energy: -765.121540 where: bonds (distance) C4'-P energy: -153.076 bonds (distance) P-C4' energy: -154.977 flat angles C4'-P-C4' energy: -161.103 flat angles P-C4'-P energy: -101.370 tors. eta vs tors. theta energy: -194.595 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: 2, replica: 8 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2476.686379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.686379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.686379 (E_RNA) where: Base-Base interactions energy: -1674.585 where: short stacking energy: -744.165 Base-Backbone interact. energy: -3.143 local terms energy: -798.957711 where: bonds (distance) C4'-P energy: -138.599 bonds (distance) P-C4' energy: -147.575 flat angles C4'-P-C4' energy: -173.709 flat angles P-C4'-P energy: -120.386 tors. eta vs tors. theta energy: -218.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2417.543685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.543685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.543685 (E_RNA) where: Base-Base interactions energy: -1655.473 where: short stacking energy: -715.162 Base-Backbone interact. energy: -0.778 local terms energy: -761.292570 where: bonds (distance) C4'-P energy: -135.023 bonds (distance) P-C4' energy: -146.296 flat angles C4'-P-C4' energy: -169.143 flat angles P-C4'-P energy: -96.311 tors. eta vs tors. theta energy: -214.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2130.205038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.205038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.205038 (E_RNA) where: Base-Base interactions energy: -1435.450 where: short stacking energy: -645.015 Base-Backbone interact. energy: 1.131 local terms energy: -695.885959 where: bonds (distance) C4'-P energy: -120.161 bonds (distance) P-C4' energy: -138.139 flat angles C4'-P-C4' energy: -150.396 flat angles P-C4'-P energy: -106.809 tors. eta vs tors. theta energy: -180.380 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: 10 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2051.556878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.556878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.556878 (E_RNA) where: Base-Base interactions energy: -1387.596 where: short stacking energy: -636.323 Base-Backbone interact. energy: 2.290 local terms energy: -666.250575 where: bonds (distance) C4'-P energy: -108.236 bonds (distance) P-C4' energy: -129.867 flat angles C4'-P-C4' energy: -154.374 flat angles P-C4'-P energy: -102.591 tors. eta vs tors. theta energy: -171.182 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: 3 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1844.410172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.410172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.410172 (E_RNA) where: Base-Base interactions energy: -1228.933 where: short stacking energy: -521.330 Base-Backbone interact. energy: -0.034 local terms energy: -615.442842 where: bonds (distance) C4'-P energy: -132.886 bonds (distance) P-C4' energy: -122.657 flat angles C4'-P-C4' energy: -137.682 flat angles P-C4'-P energy: -84.366 tors. eta vs tors. theta energy: -137.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1772.347991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.347991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.347991 (E_RNA) where: Base-Base interactions energy: -1185.610 where: short stacking energy: -519.509 Base-Backbone interact. energy: -1.012 local terms energy: -585.725173 where: bonds (distance) C4'-P energy: -121.511 bonds (distance) P-C4' energy: -105.572 flat angles C4'-P-C4' energy: -141.405 flat angles P-C4'-P energy: -89.856 tors. eta vs tors. theta energy: -127.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1481.561576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.561576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.561576 (E_RNA) where: Base-Base interactions energy: -969.601 where: short stacking energy: -426.037 Base-Backbone interact. energy: -3.339 local terms energy: -508.621543 where: bonds (distance) C4'-P energy: -120.133 bonds (distance) P-C4' energy: -112.638 flat angles C4'-P-C4' energy: -115.023 flat angles P-C4'-P energy: -87.492 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: 9 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1194.941141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.941141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.941141 (E_RNA) where: Base-Base interactions energy: -723.646 where: short stacking energy: -378.919 Base-Backbone interact. energy: -1.342 local terms energy: -469.953365 where: bonds (distance) C4'-P energy: -105.253 bonds (distance) P-C4' energy: -134.821 flat angles C4'-P-C4' energy: -104.238 flat angles P-C4'-P energy: -83.156 tors. eta vs tors. theta energy: -42.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -846.612275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.612275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.612275 (E_RNA) where: Base-Base interactions energy: -441.294 where: short stacking energy: -275.039 Base-Backbone interact. energy: -1.605 local terms energy: -403.713251 where: bonds (distance) C4'-P energy: -116.076 bonds (distance) P-C4' energy: -114.357 flat angles C4'-P-C4' energy: -98.192 flat angles P-C4'-P energy: -72.850 tors. eta vs tors. theta energy: -2.238 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: 1 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2550.215967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.215967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.215967 (E_RNA) where: Base-Base interactions energy: -1768.124 where: short stacking energy: -727.548 Base-Backbone interact. energy: 1.602 local terms energy: -783.693423 where: bonds (distance) C4'-P energy: -136.308 bonds (distance) P-C4' energy: -151.493 flat angles C4'-P-C4' energy: -163.310 flat angles P-C4'-P energy: -125.149 tors. eta vs tors. theta energy: -207.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2483.650868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.650868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.650868 (E_RNA) where: Base-Base interactions energy: -1696.008 where: short stacking energy: -760.351 Base-Backbone interact. energy: -2.272 local terms energy: -785.371383 where: bonds (distance) C4'-P energy: -142.154 bonds (distance) P-C4' energy: -135.581 flat angles C4'-P-C4' energy: -168.829 flat angles P-C4'-P energy: -120.074 tors. eta vs tors. theta energy: -218.733 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: 4 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2372.536860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.536860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.536860 (E_RNA) where: Base-Base interactions energy: -1633.680 where: short stacking energy: -698.748 Base-Backbone interact. energy: -1.319 local terms energy: -737.538137 where: bonds (distance) C4'-P energy: -133.478 bonds (distance) P-C4' energy: -140.823 flat angles C4'-P-C4' energy: -152.359 flat angles P-C4'-P energy: -109.505 tors. eta vs tors. theta energy: -201.373 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: 171 Temperature: 1.050000 Total energy: -2156.179847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.179847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.179847 (E_RNA) where: Base-Base interactions energy: -1426.071 where: short stacking energy: -643.456 Base-Backbone interact. energy: 0.667 local terms energy: -730.775480 where: bonds (distance) C4'-P energy: -127.393 bonds (distance) P-C4' energy: -146.043 flat angles C4'-P-C4' energy: -160.996 flat angles P-C4'-P energy: -107.061 tors. eta vs tors. theta energy: -189.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2066.414839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.414839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.414839 (E_RNA) where: Base-Base interactions energy: -1394.062 where: short stacking energy: -609.027 Base-Backbone interact. energy: -3.839 local terms energy: -668.513566 where: bonds (distance) C4'-P energy: -128.324 bonds (distance) P-C4' energy: -114.224 flat angles C4'-P-C4' energy: -156.291 flat angles P-C4'-P energy: -94.433 tors. eta vs tors. theta energy: -175.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1900.765834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.765834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.765834 (E_RNA) where: Base-Base interactions energy: -1278.124 where: short stacking energy: -537.666 Base-Backbone interact. energy: 0.454 local terms energy: -623.095573 where: bonds (distance) C4'-P energy: -118.452 bonds (distance) P-C4' energy: -141.874 flat angles C4'-P-C4' energy: -132.368 flat angles P-C4'-P energy: -90.513 tors. eta vs tors. theta energy: -139.888 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: 2 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1785.971318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.971318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.971318 (E_RNA) where: Base-Base interactions energy: -1183.047 where: short stacking energy: -528.621 Base-Backbone interact. energy: -2.907 local terms energy: -600.017671 where: bonds (distance) C4'-P energy: -102.256 bonds (distance) P-C4' energy: -138.677 flat angles C4'-P-C4' energy: -131.174 flat angles P-C4'-P energy: -84.745 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: 8, replica: 6 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1515.286682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.286682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.286682 (E_RNA) where: Base-Base interactions energy: -994.408 where: short stacking energy: -421.281 Base-Backbone interact. energy: -2.783 local terms energy: -518.095776 where: bonds (distance) C4'-P energy: -117.345 bonds (distance) P-C4' energy: -132.156 flat angles C4'-P-C4' energy: -118.974 flat angles P-C4'-P energy: -66.469 tors. eta vs tors. theta energy: -83.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1271.534319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.534319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.534319 (E_RNA) where: Base-Base interactions energy: -767.495 where: short stacking energy: -366.108 Base-Backbone interact. energy: -2.130 local terms energy: -501.909805 where: bonds (distance) C4'-P energy: -130.974 bonds (distance) P-C4' energy: -133.689 flat angles C4'-P-C4' energy: -126.362 flat angles P-C4'-P energy: -48.227 tors. eta vs tors. theta energy: -62.658 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: 5 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -890.185196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.185196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.185196 (E_RNA) where: Base-Base interactions energy: -467.262 where: short stacking energy: -244.204 Base-Backbone interact. energy: 10.576 local terms energy: -433.498784 where: bonds (distance) C4'-P energy: -114.562 bonds (distance) P-C4' energy: -123.203 flat angles C4'-P-C4' energy: -106.163 flat angles P-C4'-P energy: -80.111 tors. eta vs tors. theta energy: -9.460 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: 1 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2599.141516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.141516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.141516 (E_RNA) where: Base-Base interactions energy: -1789.430 where: short stacking energy: -751.501 Base-Backbone interact. energy: -1.153 local terms energy: -808.558488 where: bonds (distance) C4'-P energy: -152.792 bonds (distance) P-C4' energy: -155.999 flat angles C4'-P-C4' energy: -176.025 flat angles P-C4'-P energy: -115.305 tors. eta vs tors. theta energy: -208.437 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: 8 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2465.651133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.651133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.651133 (E_RNA) where: Base-Base interactions energy: -1679.939 where: short stacking energy: -739.404 Base-Backbone interact. energy: -2.343 local terms energy: -783.369035 where: bonds (distance) C4'-P energy: -140.059 bonds (distance) P-C4' energy: -137.621 flat angles C4'-P-C4' energy: -177.524 flat angles P-C4'-P energy: -111.335 tors. eta vs tors. theta energy: -216.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2400.885243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.885243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.885243 (E_RNA) where: Base-Base interactions energy: -1660.567 where: short stacking energy: -723.558 Base-Backbone interact. energy: -1.459 local terms energy: -738.860091 where: bonds (distance) C4'-P energy: -132.331 bonds (distance) P-C4' energy: -139.270 flat angles C4'-P-C4' energy: -164.492 flat angles P-C4'-P energy: -98.866 tors. eta vs tors. theta energy: -203.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2113.341846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.341846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.341846 (E_RNA) where: Base-Base interactions energy: -1418.124 where: short stacking energy: -615.002 Base-Backbone interact. energy: -2.099 local terms energy: -693.118899 where: bonds (distance) C4'-P energy: -112.042 bonds (distance) P-C4' energy: -130.111 flat angles C4'-P-C4' energy: -158.929 flat angles P-C4'-P energy: -112.993 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: 5, replica: 10 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2086.978094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.978094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.978094 (E_RNA) where: Base-Base interactions energy: -1394.219 where: short stacking energy: -603.524 Base-Backbone interact. energy: -4.487 local terms energy: -688.272132 where: bonds (distance) C4'-P energy: -125.551 bonds (distance) P-C4' energy: -156.225 flat angles C4'-P-C4' energy: -143.353 flat angles P-C4'-P energy: -90.745 tors. eta vs tors. theta energy: -172.398 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: 3 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1865.985680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.985680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.985680 (E_RNA) where: Base-Base interactions energy: -1234.721 where: short stacking energy: -500.645 Base-Backbone interact. energy: -0.824 local terms energy: -630.440803 where: bonds (distance) C4'-P energy: -125.075 bonds (distance) P-C4' energy: -145.113 flat angles C4'-P-C4' energy: -142.986 flat angles P-C4'-P energy: -93.645 tors. eta vs tors. theta energy: -123.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1651.689888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.689888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.689888 (E_RNA) where: Base-Base interactions energy: -1048.582 where: short stacking energy: -472.417 Base-Backbone interact. energy: 1.624 local terms energy: -604.731657 where: bonds (distance) C4'-P energy: -127.660 bonds (distance) P-C4' energy: -143.378 flat angles C4'-P-C4' energy: -138.538 flat angles P-C4'-P energy: -91.884 tors. eta vs tors. theta energy: -103.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1474.060570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.060570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.060570 (E_RNA) where: Base-Base interactions energy: -932.580 where: short stacking energy: -419.431 Base-Backbone interact. energy: -1.481 local terms energy: -539.999234 where: bonds (distance) C4'-P energy: -111.731 bonds (distance) P-C4' energy: -125.492 flat angles C4'-P-C4' energy: -133.379 flat angles P-C4'-P energy: -78.580 tors. eta vs tors. theta energy: -90.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1212.240844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.240844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.240844 (E_RNA) where: Base-Base interactions energy: -735.535 where: short stacking energy: -353.144 Base-Backbone interact. energy: -2.476 local terms energy: -474.230336 where: bonds (distance) C4'-P energy: -120.245 bonds (distance) P-C4' energy: -127.610 flat angles C4'-P-C4' energy: -111.076 flat angles P-C4'-P energy: -65.690 tors. eta vs tors. theta energy: -49.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -831.024500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.024500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.024500 (E_RNA) where: Base-Base interactions energy: -426.748 where: short stacking energy: -249.366 Base-Backbone interact. energy: 2.400 local terms energy: -406.676158 where: bonds (distance) C4'-P energy: -109.784 bonds (distance) P-C4' energy: -130.046 flat angles C4'-P-C4' energy: -118.138 flat angles P-C4'-P energy: -54.516 tors. eta vs tors. theta energy: 5.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2565.164858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.164858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.164858 (E_RNA) where: Base-Base interactions energy: -1761.679 where: short stacking energy: -737.125 Base-Backbone interact. energy: -2.252 local terms energy: -801.233208 where: bonds (distance) C4'-P energy: -153.334 bonds (distance) P-C4' energy: -141.430 flat angles C4'-P-C4' energy: -171.851 flat angles P-C4'-P energy: -115.641 tors. eta vs tors. theta energy: -218.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2494.392610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.392610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.392610 (E_RNA) where: Base-Base interactions energy: -1728.966 where: short stacking energy: -752.605 Base-Backbone interact. energy: -1.094 local terms energy: -764.333185 where: bonds (distance) C4'-P energy: -131.868 bonds (distance) P-C4' energy: -141.897 flat angles C4'-P-C4' energy: -168.221 flat angles P-C4'-P energy: -106.892 tors. eta vs tors. theta energy: -215.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2382.581202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.581202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.581202 (E_RNA) where: Base-Base interactions energy: -1636.477 where: short stacking energy: -708.963 Base-Backbone interact. energy: -1.735 local terms energy: -744.368254 where: bonds (distance) C4'-P energy: -122.894 bonds (distance) P-C4' energy: -143.685 flat angles C4'-P-C4' energy: -162.887 flat angles P-C4'-P energy: -105.879 tors. eta vs tors. theta energy: -209.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2104.523204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.523204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.523204 (E_RNA) where: Base-Base interactions energy: -1391.943 where: short stacking energy: -606.701 Base-Backbone interact. energy: -1.502 local terms energy: -711.078257 where: bonds (distance) C4'-P energy: -141.194 bonds (distance) P-C4' energy: -131.282 flat angles C4'-P-C4' energy: -161.758 flat angles P-C4'-P energy: -112.542 tors. eta vs tors. theta energy: -164.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2050.981493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.981493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.981493 (E_RNA) where: Base-Base interactions energy: -1376.972 where: short stacking energy: -632.218 Base-Backbone interact. energy: 0.822 local terms energy: -674.831782 where: bonds (distance) C4'-P energy: -122.316 bonds (distance) P-C4' energy: -134.848 flat angles C4'-P-C4' energy: -156.668 flat angles P-C4'-P energy: -86.783 tors. eta vs tors. theta energy: -174.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1874.417297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.417297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.417297 (E_RNA) where: Base-Base interactions energy: -1278.047 where: short stacking energy: -506.643 Base-Backbone interact. energy: 2.034 local terms energy: -598.404334 where: bonds (distance) C4'-P energy: -112.777 bonds (distance) P-C4' energy: -144.127 flat angles C4'-P-C4' energy: -139.456 flat angles P-C4'-P energy: -79.940 tors. eta vs tors. theta energy: -122.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1704.291097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.291097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.291097 (E_RNA) where: Base-Base interactions energy: -1096.249 where: short stacking energy: -491.968 Base-Backbone interact. energy: -0.374 local terms energy: -607.668271 where: bonds (distance) C4'-P energy: -132.903 bonds (distance) P-C4' energy: -129.627 flat angles C4'-P-C4' energy: -127.558 flat angles P-C4'-P energy: -96.368 tors. eta vs tors. theta energy: -121.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1501.722072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.722072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.722072 (E_RNA) where: Base-Base interactions energy: -973.784 where: short stacking energy: -420.480 Base-Backbone interact. energy: -3.043 local terms energy: -524.894557 where: bonds (distance) C4'-P energy: -118.601 bonds (distance) P-C4' energy: -149.062 flat angles C4'-P-C4' energy: -117.532 flat angles P-C4'-P energy: -46.399 tors. eta vs tors. theta energy: -93.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1253.214290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.214290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.214290 (E_RNA) where: Base-Base interactions energy: -752.054 where: short stacking energy: -337.392 Base-Backbone interact. energy: 0.720 local terms energy: -501.881218 where: bonds (distance) C4'-P energy: -120.913 bonds (distance) P-C4' energy: -122.433 flat angles C4'-P-C4' energy: -136.032 flat angles P-C4'-P energy: -68.040 tors. eta vs tors. theta energy: -54.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -833.794872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.794872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.794872 (E_RNA) where: Base-Base interactions energy: -449.428 where: short stacking energy: -253.325 Base-Backbone interact. energy: 9.425 local terms energy: -393.791511 where: bonds (distance) C4'-P energy: -108.835 bonds (distance) P-C4' energy: -124.306 flat angles C4'-P-C4' energy: -106.364 flat angles P-C4'-P energy: -41.315 tors. eta vs tors. theta energy: -12.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2564.409457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.409457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.409457 (E_RNA) where: Base-Base interactions energy: -1776.842 where: short stacking energy: -761.686 Base-Backbone interact. energy: 0.883 local terms energy: -788.450710 where: bonds (distance) C4'-P energy: -146.535 bonds (distance) P-C4' energy: -149.154 flat angles C4'-P-C4' energy: -166.451 flat angles P-C4'-P energy: -117.784 tors. eta vs tors. theta energy: -208.528 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: 2, replica: 8 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2486.196512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.196512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.196512 (E_RNA) where: Base-Base interactions energy: -1698.246 where: short stacking energy: -741.472 Base-Backbone interact. energy: -3.650 local terms energy: -784.300418 where: bonds (distance) C4'-P energy: -142.048 bonds (distance) P-C4' energy: -140.805 flat angles C4'-P-C4' energy: -173.750 flat angles P-C4'-P energy: -110.922 tors. eta vs tors. theta energy: -216.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2422.001660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.001660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.001660 (E_RNA) where: Base-Base interactions energy: -1653.760 where: short stacking energy: -708.085 Base-Backbone interact. energy: -3.618 local terms energy: -764.623685 where: bonds (distance) C4'-P energy: -150.982 bonds (distance) P-C4' energy: -145.522 flat angles C4'-P-C4' energy: -149.810 flat angles P-C4'-P energy: -117.042 tors. eta vs tors. theta energy: -201.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2091.874099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.874099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.874099 (E_RNA) where: Base-Base interactions energy: -1389.574 where: short stacking energy: -640.505 Base-Backbone interact. energy: -1.125 local terms energy: -701.175466 where: bonds (distance) C4'-P energy: -130.237 bonds (distance) P-C4' energy: -134.769 flat angles C4'-P-C4' energy: -154.477 flat angles P-C4'-P energy: -104.938 tors. eta vs tors. theta energy: -176.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2073.424693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.424693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.424693 (E_RNA) where: Base-Base interactions energy: -1387.552 where: short stacking energy: -627.605 Base-Backbone interact. energy: -4.840 local terms energy: -681.032449 where: bonds (distance) C4'-P energy: -138.250 bonds (distance) P-C4' energy: -127.251 flat angles C4'-P-C4' energy: -141.349 flat angles P-C4'-P energy: -102.014 tors. eta vs tors. theta energy: -172.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1902.483612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.483612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.483612 (E_RNA) where: Base-Base interactions energy: -1306.954 where: short stacking energy: -548.330 Base-Backbone interact. energy: 5.771 local terms energy: -601.300329 where: bonds (distance) C4'-P energy: -120.216 bonds (distance) P-C4' energy: -118.549 flat angles C4'-P-C4' energy: -138.921 flat angles P-C4'-P energy: -91.197 tors. eta vs tors. theta energy: -132.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1713.749732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.749732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.749732 (E_RNA) where: Base-Base interactions energy: -1106.091 where: short stacking energy: -483.225 Base-Backbone interact. energy: -2.573 local terms energy: -605.085376 where: bonds (distance) C4'-P energy: -144.702 bonds (distance) P-C4' energy: -130.001 flat angles C4'-P-C4' energy: -123.589 flat angles P-C4'-P energy: -91.405 tors. eta vs tors. theta energy: -115.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1420.875803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.875803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.875803 (E_RNA) where: Base-Base interactions energy: -891.684 where: short stacking energy: -395.826 Base-Backbone interact. energy: 0.188 local terms energy: -529.380035 where: bonds (distance) C4'-P energy: -136.120 bonds (distance) P-C4' energy: -122.117 flat angles C4'-P-C4' energy: -145.114 flat angles P-C4'-P energy: -62.588 tors. eta vs tors. theta energy: -63.440 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: 174 Temperature: 1.300000 Total energy: -1242.456531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.456531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.456531 (E_RNA) where: Base-Base interactions energy: -735.947 where: short stacking energy: -336.488 Base-Backbone interact. energy: -2.371 local terms energy: -504.138102 where: bonds (distance) C4'-P energy: -114.757 bonds (distance) P-C4' energy: -123.517 flat angles C4'-P-C4' energy: -122.710 flat angles P-C4'-P energy: -89.397 tors. eta vs tors. theta energy: -53.757 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: 5 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -896.927157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.927157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.927157 (E_RNA) where: Base-Base interactions energy: -506.158 where: short stacking energy: -251.631 Base-Backbone interact. energy: 8.041 local terms energy: -398.810975 where: bonds (distance) C4'-P energy: -96.355 bonds (distance) P-C4' energy: -130.019 flat angles C4'-P-C4' energy: -108.187 flat angles P-C4'-P energy: -67.545 tors. eta vs tors. theta energy: 3.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2557.043586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.043586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.043586 (E_RNA) where: Base-Base interactions energy: -1766.068 where: short stacking energy: -738.927 Base-Backbone interact. energy: 0.854 local terms energy: -791.829989 where: bonds (distance) C4'-P energy: -146.860 bonds (distance) P-C4' energy: -158.294 flat angles C4'-P-C4' energy: -161.729 flat angles P-C4'-P energy: -122.572 tors. eta vs tors. theta energy: -202.375 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: 8 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2465.504890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.504890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.504890 (E_RNA) where: Base-Base interactions energy: -1689.145 where: short stacking energy: -744.309 Base-Backbone interact. energy: -0.531 local terms energy: -775.828528 where: bonds (distance) C4'-P energy: -131.980 bonds (distance) P-C4' energy: -144.072 flat angles C4'-P-C4' energy: -156.013 flat angles P-C4'-P energy: -126.847 tors. eta vs tors. theta energy: -216.917 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: 4 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2346.063010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.063010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.063010 (E_RNA) where: Base-Base interactions energy: -1607.845 where: short stacking energy: -694.226 Base-Backbone interact. energy: -2.578 local terms energy: -735.640324 where: bonds (distance) C4'-P energy: -147.732 bonds (distance) P-C4' energy: -139.963 flat angles C4'-P-C4' energy: -153.093 flat angles P-C4'-P energy: -103.701 tors. eta vs tors. theta energy: -191.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2114.635329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.635329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.635329 (E_RNA) where: Base-Base interactions energy: -1431.667 where: short stacking energy: -613.788 Base-Backbone interact. energy: -3.678 local terms energy: -679.290485 where: bonds (distance) C4'-P energy: -134.368 bonds (distance) P-C4' energy: -132.620 flat angles C4'-P-C4' energy: -150.960 flat angles P-C4'-P energy: -100.695 tors. eta vs tors. theta energy: -160.648 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: 10 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2051.622853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.622853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.622853 (E_RNA) where: Base-Base interactions energy: -1342.805 where: short stacking energy: -608.957 Base-Backbone interact. energy: -2.177 local terms energy: -706.640946 where: bonds (distance) C4'-P energy: -135.602 bonds (distance) P-C4' energy: -139.174 flat angles C4'-P-C4' energy: -150.072 flat angles P-C4'-P energy: -103.220 tors. eta vs tors. theta energy: -178.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1934.196577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.196577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.196577 (E_RNA) where: Base-Base interactions energy: -1299.841 where: short stacking energy: -548.717 Base-Backbone interact. energy: -2.258 local terms energy: -632.097724 where: bonds (distance) C4'-P energy: -130.301 bonds (distance) P-C4' energy: -121.248 flat angles C4'-P-C4' energy: -135.864 flat angles P-C4'-P energy: -89.182 tors. eta vs tors. theta energy: -155.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1689.245863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.245863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.245863 (E_RNA) where: Base-Base interactions energy: -1166.067 where: short stacking energy: -514.159 Base-Backbone interact. energy: -0.546 local terms energy: -522.633145 where: bonds (distance) C4'-P energy: -92.530 bonds (distance) P-C4' energy: -96.899 flat angles C4'-P-C4' energy: -134.732 flat angles P-C4'-P energy: -80.440 tors. eta vs tors. theta energy: -118.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1451.646564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.646564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.646564 (E_RNA) where: Base-Base interactions energy: -916.868 where: short stacking energy: -418.721 Base-Backbone interact. energy: 2.682 local terms energy: -537.460135 where: bonds (distance) C4'-P energy: -119.740 bonds (distance) P-C4' energy: -143.959 flat angles C4'-P-C4' energy: -134.657 flat angles P-C4'-P energy: -74.357 tors. eta vs tors. theta energy: -64.747 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: 175 Temperature: 1.300000 Total energy: -1239.484784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.484784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.484784 (E_RNA) where: Base-Base interactions energy: -727.318 where: short stacking energy: -339.599 Base-Backbone interact. energy: 2.271 local terms energy: -514.437121 where: bonds (distance) C4'-P energy: -126.958 bonds (distance) P-C4' energy: -140.868 flat angles C4'-P-C4' energy: -130.694 flat angles P-C4'-P energy: -64.481 tors. eta vs tors. theta energy: -51.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -930.560393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.560393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.560393 (E_RNA) where: Base-Base interactions energy: -508.253 where: short stacking energy: -264.679 Base-Backbone interact. energy: 2.945 local terms energy: -425.252260 where: bonds (distance) C4'-P energy: -124.556 bonds (distance) P-C4' energy: -130.369 flat angles C4'-P-C4' energy: -86.614 flat angles P-C4'-P energy: -68.488 tors. eta vs tors. theta energy: -15.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2506.318409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.318409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.318409 (E_RNA) where: Base-Base interactions energy: -1692.306 where: short stacking energy: -751.568 Base-Backbone interact. energy: -1.969 local terms energy: -812.043468 where: bonds (distance) C4'-P energy: -137.717 bonds (distance) P-C4' energy: -154.108 flat angles C4'-P-C4' energy: -174.844 flat angles P-C4'-P energy: -108.810 tors. eta vs tors. theta energy: -236.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2499.708776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.708776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.708776 (E_RNA) where: Base-Base interactions energy: -1741.930 where: short stacking energy: -736.092 Base-Backbone interact. energy: -0.435 local terms energy: -757.343713 where: bonds (distance) C4'-P energy: -129.975 bonds (distance) P-C4' energy: -148.057 flat angles C4'-P-C4' energy: -172.938 flat angles P-C4'-P energy: -105.017 tors. eta vs tors. theta energy: -201.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2386.317738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.317738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.317738 (E_RNA) where: Base-Base interactions energy: -1610.220 where: short stacking energy: -710.763 Base-Backbone interact. energy: -2.465 local terms energy: -773.632904 where: bonds (distance) C4'-P energy: -146.880 bonds (distance) P-C4' energy: -138.478 flat angles C4'-P-C4' energy: -169.178 flat angles P-C4'-P energy: -109.801 tors. eta vs tors. theta energy: -209.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2136.944982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.944982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.944982 (E_RNA) where: Base-Base interactions energy: -1435.345 where: short stacking energy: -630.567 Base-Backbone interact. energy: 0.023 local terms energy: -701.623315 where: bonds (distance) C4'-P energy: -121.020 bonds (distance) P-C4' energy: -141.548 flat angles C4'-P-C4' energy: -146.904 flat angles P-C4'-P energy: -110.986 tors. eta vs tors. theta energy: -181.166 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: 10 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2064.836054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.836054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.836054 (E_RNA) where: Base-Base interactions energy: -1369.270 where: short stacking energy: -618.527 Base-Backbone interact. energy: -4.090 local terms energy: -691.475474 where: bonds (distance) C4'-P energy: -112.226 bonds (distance) P-C4' energy: -152.726 flat angles C4'-P-C4' energy: -154.144 flat angles P-C4'-P energy: -101.733 tors. eta vs tors. theta energy: -170.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1904.841598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.841598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.841598 (E_RNA) where: Base-Base interactions energy: -1300.253 where: short stacking energy: -533.623 Base-Backbone interact. energy: 6.607 local terms energy: -611.196214 where: bonds (distance) C4'-P energy: -114.153 bonds (distance) P-C4' energy: -118.928 flat angles C4'-P-C4' energy: -145.077 flat angles P-C4'-P energy: -91.650 tors. eta vs tors. theta energy: -141.388 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: 2 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1691.042621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.042621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.042621 (E_RNA) where: Base-Base interactions energy: -1091.581 where: short stacking energy: -483.406 Base-Backbone interact. energy: -4.008 local terms energy: -595.454286 where: bonds (distance) C4'-P energy: -130.590 bonds (distance) P-C4' energy: -132.730 flat angles C4'-P-C4' energy: -145.344 flat angles P-C4'-P energy: -81.210 tors. eta vs tors. theta energy: -105.580 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: 6 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1416.613590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.613590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.613590 (E_RNA) where: Base-Base interactions energy: -887.610 where: short stacking energy: -415.635 Base-Backbone interact. energy: -0.538 local terms energy: -528.465384 where: bonds (distance) C4'-P energy: -122.828 bonds (distance) P-C4' energy: -140.315 flat angles C4'-P-C4' energy: -112.018 flat angles P-C4'-P energy: -80.847 tors. eta vs tors. theta energy: -72.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1150.666970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.666970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.666970 (E_RNA) where: Base-Base interactions energy: -700.870 where: short stacking energy: -334.074 Base-Backbone interact. energy: -3.352 local terms energy: -446.445073 where: bonds (distance) C4'-P energy: -102.484 bonds (distance) P-C4' energy: -136.557 flat angles C4'-P-C4' energy: -115.135 flat angles P-C4'-P energy: -68.303 tors. eta vs tors. theta energy: -23.966 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: 5 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -950.297626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.297626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.297626 (E_RNA) where: Base-Base interactions energy: -532.111 where: short stacking energy: -277.048 Base-Backbone interact. energy: 2.182 local terms energy: -420.368955 where: bonds (distance) C4'-P energy: -108.209 bonds (distance) P-C4' energy: -131.020 flat angles C4'-P-C4' energy: -126.988 flat angles P-C4'-P energy: -50.619 tors. eta vs tors. theta energy: -3.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2544.748569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.748569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.748569 (E_RNA) where: Base-Base interactions energy: -1733.920 where: short stacking energy: -778.385 Base-Backbone interact. energy: -1.076 local terms energy: -809.752502 where: bonds (distance) C4'-P energy: -143.590 bonds (distance) P-C4' energy: -149.438 flat angles C4'-P-C4' energy: -162.745 flat angles P-C4'-P energy: -127.524 tors. eta vs tors. theta energy: -226.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2484.278293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.278293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.278293 (E_RNA) where: Base-Base interactions energy: -1736.429 where: short stacking energy: -737.713 Base-Backbone interact. energy: -3.407 local terms energy: -744.443118 where: bonds (distance) C4'-P energy: -130.073 bonds (distance) P-C4' energy: -142.280 flat angles C4'-P-C4' energy: -167.864 flat angles P-C4'-P energy: -102.489 tors. eta vs tors. theta energy: -201.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2395.610341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.610341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.610341 (E_RNA) where: Base-Base interactions energy: -1662.695 where: short stacking energy: -711.226 Base-Backbone interact. energy: -0.813 local terms energy: -732.102549 where: bonds (distance) C4'-P energy: -131.135 bonds (distance) P-C4' energy: -130.936 flat angles C4'-P-C4' energy: -158.500 flat angles P-C4'-P energy: -112.454 tors. eta vs tors. theta energy: -199.078 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: 7 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2164.816275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.816275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.816275 (E_RNA) where: Base-Base interactions energy: -1469.152 where: short stacking energy: -650.367 Base-Backbone interact. energy: 5.558 local terms energy: -701.222371 where: bonds (distance) C4'-P energy: -123.957 bonds (distance) P-C4' energy: -136.248 flat angles C4'-P-C4' energy: -148.164 flat angles P-C4'-P energy: -109.399 tors. eta vs tors. theta energy: -183.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2030.656610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.656610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.656610 (E_RNA) where: Base-Base interactions energy: -1387.956 where: short stacking energy: -648.816 Base-Backbone interact. energy: -1.707 local terms energy: -640.993899 where: bonds (distance) C4'-P energy: -105.931 bonds (distance) P-C4' energy: -127.389 flat angles C4'-P-C4' energy: -147.564 flat angles P-C4'-P energy: -100.779 tors. eta vs tors. theta energy: -159.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1934.945511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.945511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.945511 (E_RNA) where: Base-Base interactions energy: -1343.755 where: short stacking energy: -532.472 Base-Backbone interact. energy: -0.272 local terms energy: -590.918920 where: bonds (distance) C4'-P energy: -124.552 bonds (distance) P-C4' energy: -124.929 flat angles C4'-P-C4' energy: -144.198 flat angles P-C4'-P energy: -76.978 tors. eta vs tors. theta energy: -120.261 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: 2 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1651.324562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.324562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.324562 (E_RNA) where: Base-Base interactions energy: -1063.859 where: short stacking energy: -469.081 Base-Backbone interact. energy: -1.595 local terms energy: -585.870576 where: bonds (distance) C4'-P energy: -119.939 bonds (distance) P-C4' energy: -132.391 flat angles C4'-P-C4' energy: -150.115 flat angles P-C4'-P energy: -79.177 tors. eta vs tors. theta energy: -104.249 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: 6 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1364.086474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.086474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.086474 (E_RNA) where: Base-Base interactions energy: -862.431 where: short stacking energy: -417.988 Base-Backbone interact. energy: 0.146 local terms energy: -501.801887 where: bonds (distance) C4'-P energy: -120.152 bonds (distance) P-C4' energy: -126.532 flat angles C4'-P-C4' energy: -114.310 flat angles P-C4'-P energy: -64.219 tors. eta vs tors. theta energy: -76.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1126.874558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.874558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.874558 (E_RNA) where: Base-Base interactions energy: -698.237 where: short stacking energy: -336.325 Base-Backbone interact. energy: 5.540 local terms energy: -434.177700 where: bonds (distance) C4'-P energy: -98.396 bonds (distance) P-C4' energy: -127.493 flat angles C4'-P-C4' energy: -103.886 flat angles P-C4'-P energy: -65.529 tors. eta vs tors. theta energy: -38.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -924.331958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.331958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.331958 (E_RNA) where: Base-Base interactions energy: -515.298 where: short stacking energy: -276.844 Base-Backbone interact. energy: 1.980 local terms energy: -411.013754 where: bonds (distance) C4'-P energy: -111.482 bonds (distance) P-C4' energy: -116.187 flat angles C4'-P-C4' energy: -104.341 flat angles P-C4'-P energy: -59.379 tors. eta vs tors. theta energy: -19.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2527.021219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.021219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.021219 (E_RNA) where: Base-Base interactions energy: -1726.164 where: short stacking energy: -782.652 Base-Backbone interact. energy: -2.550 local terms energy: -798.307309 where: bonds (distance) C4'-P energy: -151.644 bonds (distance) P-C4' energy: -147.950 flat angles C4'-P-C4' energy: -164.268 flat angles P-C4'-P energy: -103.403 tors. eta vs tors. theta energy: -231.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2557.319628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.319628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.319628 (E_RNA) where: Base-Base interactions energy: -1805.184 where: short stacking energy: -744.943 Base-Backbone interact. energy: -2.868 local terms energy: -749.267093 where: bonds (distance) C4'-P energy: -129.852 bonds (distance) P-C4' energy: -125.681 flat angles C4'-P-C4' energy: -173.793 flat angles P-C4'-P energy: -111.371 tors. eta vs tors. theta energy: -208.570 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: 4 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2431.368027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.368027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.368027 (E_RNA) where: Base-Base interactions energy: -1685.976 where: short stacking energy: -725.183 Base-Backbone interact. energy: -0.713 local terms energy: -744.679033 where: bonds (distance) C4'-P energy: -127.744 bonds (distance) P-C4' energy: -131.771 flat angles C4'-P-C4' energy: -162.663 flat angles P-C4'-P energy: -112.212 tors. eta vs tors. theta energy: -210.290 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: 7 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2175.116943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.116943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.116943 (E_RNA) where: Base-Base interactions energy: -1453.490 where: short stacking energy: -669.217 Base-Backbone interact. energy: -1.593 local terms energy: -720.033809 where: bonds (distance) C4'-P energy: -132.273 bonds (distance) P-C4' energy: -139.513 flat angles C4'-P-C4' energy: -166.982 flat angles P-C4'-P energy: -97.878 tors. eta vs tors. theta energy: -183.388 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: 10 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2030.116375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.116375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.116375 (E_RNA) where: Base-Base interactions energy: -1370.079 where: short stacking energy: -584.931 Base-Backbone interact. energy: -0.997 local terms energy: -659.040683 where: bonds (distance) C4'-P energy: -133.330 bonds (distance) P-C4' energy: -123.709 flat angles C4'-P-C4' energy: -151.203 flat angles P-C4'-P energy: -93.009 tors. eta vs tors. theta energy: -157.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1940.948730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.948730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.948730 (E_RNA) where: Base-Base interactions energy: -1308.812 where: short stacking energy: -546.834 Base-Backbone interact. energy: -0.110 local terms energy: -632.026535 where: bonds (distance) C4'-P energy: -119.025 bonds (distance) P-C4' energy: -132.700 flat angles C4'-P-C4' energy: -148.431 flat angles P-C4'-P energy: -91.628 tors. eta vs tors. theta energy: -140.242 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: 2 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1710.637290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.637290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.637290 (E_RNA) where: Base-Base interactions energy: -1138.155 where: short stacking energy: -508.098 Base-Backbone interact. energy: -0.746 local terms energy: -571.736945 where: bonds (distance) C4'-P energy: -134.487 bonds (distance) P-C4' energy: -129.733 flat angles C4'-P-C4' energy: -118.507 flat angles P-C4'-P energy: -82.979 tors. eta vs tors. theta energy: -106.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1388.028371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.028371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.028371 (E_RNA) where: Base-Base interactions energy: -859.898 where: short stacking energy: -395.368 Base-Backbone interact. energy: -1.321 local terms energy: -526.808654 where: bonds (distance) C4'-P energy: -107.695 bonds (distance) P-C4' energy: -146.857 flat angles C4'-P-C4' energy: -137.178 flat angles P-C4'-P energy: -61.702 tors. eta vs tors. theta energy: -73.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1212.608345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.608345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.608345 (E_RNA) where: Base-Base interactions energy: -762.593 where: short stacking energy: -350.240 Base-Backbone interact. energy: -0.150 local terms energy: -449.866106 where: bonds (distance) C4'-P energy: -111.833 bonds (distance) P-C4' energy: -115.403 flat angles C4'-P-C4' energy: -108.272 flat angles P-C4'-P energy: -62.228 tors. eta vs tors. theta energy: -52.131 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: 5 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -805.490161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.490161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.490161 (E_RNA) where: Base-Base interactions energy: -411.805 where: short stacking energy: -220.070 Base-Backbone interact. energy: 0.506 local terms energy: -394.190923 where: bonds (distance) C4'-P energy: -126.638 bonds (distance) P-C4' energy: -132.073 flat angles C4'-P-C4' energy: -95.981 flat angles P-C4'-P energy: -46.182 tors. eta vs tors. theta energy: 6.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2535.787287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.787287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.787287 (E_RNA) where: Base-Base interactions energy: -1721.332 where: short stacking energy: -773.761 Base-Backbone interact. energy: -3.174 local terms energy: -811.280448 where: bonds (distance) C4'-P energy: -137.432 bonds (distance) P-C4' energy: -155.290 flat angles C4'-P-C4' energy: -179.072 flat angles P-C4'-P energy: -124.446 tors. eta vs tors. theta energy: -215.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2501.462353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.462353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.462353 (E_RNA) where: Base-Base interactions energy: -1755.289 where: short stacking energy: -736.949 Base-Backbone interact. energy: -3.467 local terms energy: -742.706988 where: bonds (distance) C4'-P energy: -123.468 bonds (distance) P-C4' energy: -135.724 flat angles C4'-P-C4' energy: -165.096 flat angles P-C4'-P energy: -107.776 tors. eta vs tors. theta energy: -210.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2460.313375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.313375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.313375 (E_RNA) where: Base-Base interactions energy: -1668.283 where: short stacking energy: -733.646 Base-Backbone interact. energy: -1.196 local terms energy: -790.833899 where: bonds (distance) C4'-P energy: -152.513 bonds (distance) P-C4' energy: -147.098 flat angles C4'-P-C4' energy: -166.623 flat angles P-C4'-P energy: -104.703 tors. eta vs tors. theta energy: -219.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2130.519004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.519004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.519004 (E_RNA) where: Base-Base interactions energy: -1432.568 where: short stacking energy: -636.729 Base-Backbone interact. energy: -1.098 local terms energy: -696.852570 where: bonds (distance) C4'-P energy: -143.469 bonds (distance) P-C4' energy: -141.534 flat angles C4'-P-C4' energy: -142.182 flat angles P-C4'-P energy: -97.194 tors. eta vs tors. theta energy: -172.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1973.073872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.073872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.073872 (E_RNA) where: Base-Base interactions energy: -1332.023 where: short stacking energy: -583.472 Base-Backbone interact. energy: -2.074 local terms energy: -638.976806 where: bonds (distance) C4'-P energy: -132.624 bonds (distance) P-C4' energy: -107.970 flat angles C4'-P-C4' energy: -137.304 flat angles P-C4'-P energy: -102.733 tors. eta vs tors. theta energy: -158.345 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: 3 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1930.543329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.543329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.543329 (E_RNA) where: Base-Base interactions energy: -1309.565 where: short stacking energy: -535.937 Base-Backbone interact. energy: -1.489 local terms energy: -619.489033 where: bonds (distance) C4'-P energy: -123.687 bonds (distance) P-C4' energy: -114.383 flat angles C4'-P-C4' energy: -142.096 flat angles P-C4'-P energy: -94.296 tors. eta vs tors. theta energy: -145.026 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: 2 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1741.716923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.716923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.716923 (E_RNA) where: Base-Base interactions energy: -1157.033 where: short stacking energy: -500.517 Base-Backbone interact. energy: -2.816 local terms energy: -581.868806 where: bonds (distance) C4'-P energy: -115.320 bonds (distance) P-C4' energy: -126.493 flat angles C4'-P-C4' energy: -135.566 flat angles P-C4'-P energy: -85.370 tors. eta vs tors. theta energy: -119.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1495.779234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.779234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.779234 (E_RNA) where: Base-Base interactions energy: -923.170 where: short stacking energy: -404.618 Base-Backbone interact. energy: -3.383 local terms energy: -569.226128 where: bonds (distance) C4'-P energy: -138.534 bonds (distance) P-C4' energy: -128.854 flat angles C4'-P-C4' energy: -146.752 flat angles P-C4'-P energy: -75.729 tors. eta vs tors. theta energy: -79.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1190.072488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.072488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.072488 (E_RNA) where: Base-Base interactions energy: -714.612 where: short stacking energy: -348.763 Base-Backbone interact. energy: 5.377 local terms energy: -480.837877 where: bonds (distance) C4'-P energy: -95.372 bonds (distance) P-C4' energy: -123.016 flat angles C4'-P-C4' energy: -136.727 flat angles P-C4'-P energy: -72.028 tors. eta vs tors. theta energy: -53.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -844.739884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.739884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.739884 (E_RNA) where: Base-Base interactions energy: -414.244 where: short stacking energy: -224.858 Base-Backbone interact. energy: 3.594 local terms energy: -434.089455 where: bonds (distance) C4'-P energy: -115.537 bonds (distance) P-C4' energy: -123.392 flat angles C4'-P-C4' energy: -128.237 flat angles P-C4'-P energy: -63.428 tors. eta vs tors. theta energy: -3.496 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: 1, replica: 8 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2542.842467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.842467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.842467 (E_RNA) where: Base-Base interactions energy: -1734.383 where: short stacking energy: -765.071 Base-Backbone interact. energy: -1.728 local terms energy: -806.731309 where: bonds (distance) C4'-P energy: -142.315 bonds (distance) P-C4' energy: -149.915 flat angles C4'-P-C4' energy: -163.350 flat angles P-C4'-P energy: -122.898 tors. eta vs tors. theta energy: -228.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2483.084826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.084826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.084826 (E_RNA) where: Base-Base interactions energy: -1732.814 where: short stacking energy: -723.544 Base-Backbone interact. energy: -4.898 local terms energy: -745.372868 where: bonds (distance) C4'-P energy: -129.087 bonds (distance) P-C4' energy: -132.192 flat angles C4'-P-C4' energy: -167.767 flat angles P-C4'-P energy: -117.840 tors. eta vs tors. theta energy: -198.486 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: 3, replica: 4 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2437.845474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.845474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.845474 (E_RNA) where: Base-Base interactions energy: -1687.729 where: short stacking energy: -707.071 Base-Backbone interact. energy: -3.651 local terms energy: -746.465780 where: bonds (distance) C4'-P energy: -155.082 bonds (distance) P-C4' energy: -140.684 flat angles C4'-P-C4' energy: -142.874 flat angles P-C4'-P energy: -104.685 tors. eta vs tors. theta energy: -203.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2136.209846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.209846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.209846 (E_RNA) where: Base-Base interactions energy: -1435.863 where: short stacking energy: -660.827 Base-Backbone interact. energy: -1.830 local terms energy: -698.516685 where: bonds (distance) C4'-P energy: -140.428 bonds (distance) P-C4' energy: -128.344 flat angles C4'-P-C4' energy: -155.971 flat angles P-C4'-P energy: -94.154 tors. eta vs tors. theta energy: -179.620 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: 10 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2093.472599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.472599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.472599 (E_RNA) where: Base-Base interactions energy: -1400.358 where: short stacking energy: -639.482 Base-Backbone interact. energy: -2.991 local terms energy: -690.124373 where: bonds (distance) C4'-P energy: -141.005 bonds (distance) P-C4' energy: -122.699 flat angles C4'-P-C4' energy: -167.968 flat angles P-C4'-P energy: -87.665 tors. eta vs tors. theta energy: -170.788 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: 3 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1874.441479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.441479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.441479 (E_RNA) where: Base-Base interactions energy: -1250.424 where: short stacking energy: -537.609 Base-Backbone interact. energy: -1.627 local terms energy: -622.389803 where: bonds (distance) C4'-P energy: -138.216 bonds (distance) P-C4' energy: -117.042 flat angles C4'-P-C4' energy: -145.329 flat angles P-C4'-P energy: -84.881 tors. eta vs tors. theta energy: -136.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1648.924780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.924780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.924780 (E_RNA) where: Base-Base interactions energy: -1069.822 where: short stacking energy: -477.079 Base-Backbone interact. energy: 2.988 local terms energy: -582.090659 where: bonds (distance) C4'-P energy: -112.137 bonds (distance) P-C4' energy: -128.204 flat angles C4'-P-C4' energy: -143.179 flat angles P-C4'-P energy: -97.536 tors. eta vs tors. theta energy: -101.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1466.907686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.907686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.907686 (E_RNA) where: Base-Base interactions energy: -939.031 where: short stacking energy: -427.104 Base-Backbone interact. energy: 5.278 local terms energy: -533.154447 where: bonds (distance) C4'-P energy: -139.918 bonds (distance) P-C4' energy: -126.149 flat angles C4'-P-C4' energy: -115.445 flat angles P-C4'-P energy: -73.292 tors. eta vs tors. theta energy: -78.351 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: 180 Temperature: 1.300000 Total energy: -1163.278499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.278499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.278499 (E_RNA) where: Base-Base interactions energy: -706.186 where: short stacking energy: -329.870 Base-Backbone interact. energy: 0.427 local terms energy: -457.519718 where: bonds (distance) C4'-P energy: -122.623 bonds (distance) P-C4' energy: -109.249 flat angles C4'-P-C4' energy: -113.159 flat angles P-C4'-P energy: -66.582 tors. eta vs tors. theta energy: -45.906 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: 5 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -862.125689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.125689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.125689 (E_RNA) where: Base-Base interactions energy: -429.456 where: short stacking energy: -249.160 Base-Backbone interact. energy: 2.802 local terms energy: -435.471412 where: bonds (distance) C4'-P energy: -122.662 bonds (distance) P-C4' energy: -112.351 flat angles C4'-P-C4' energy: -107.819 flat angles P-C4'-P energy: -77.377 tors. eta vs tors. theta energy: -15.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2512.215557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.215557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.215557 (E_RNA) where: Base-Base interactions energy: -1701.858 where: short stacking energy: -736.972 Base-Backbone interact. energy: -3.772 local terms energy: -806.586212 where: bonds (distance) C4'-P energy: -161.936 bonds (distance) P-C4' energy: -133.957 flat angles C4'-P-C4' energy: -177.934 flat angles P-C4'-P energy: -120.220 tors. eta vs tors. theta energy: -212.539 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: 4 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2514.317133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.317133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.317133 (E_RNA) where: Base-Base interactions energy: -1734.461 where: short stacking energy: -742.097 Base-Backbone interact. energy: 3.893 local terms energy: -783.749073 where: bonds (distance) C4'-P energy: -139.601 bonds (distance) P-C4' energy: -137.982 flat angles C4'-P-C4' energy: -175.682 flat angles P-C4'-P energy: -110.679 tors. eta vs tors. theta energy: -219.806 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: 1 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2400.733670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.733670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.733670 (E_RNA) where: Base-Base interactions energy: -1665.225 where: short stacking energy: -707.481 Base-Backbone interact. energy: -4.690 local terms energy: -730.818648 where: bonds (distance) C4'-P energy: -132.732 bonds (distance) P-C4' energy: -139.853 flat angles C4'-P-C4' energy: -151.395 flat angles P-C4'-P energy: -110.537 tors. eta vs tors. theta energy: -196.303 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: 7 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2130.601147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.601147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.601147 (E_RNA) where: Base-Base interactions energy: -1436.709 where: short stacking energy: -651.721 Base-Backbone interact. energy: -0.228 local terms energy: -693.663684 where: bonds (distance) C4'-P energy: -125.092 bonds (distance) P-C4' energy: -125.447 flat angles C4'-P-C4' energy: -170.884 flat angles P-C4'-P energy: -96.182 tors. eta vs tors. theta energy: -176.058 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: 10 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2000.573200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.573200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.573200 (E_RNA) where: Base-Base interactions energy: -1338.717 where: short stacking energy: -596.850 Base-Backbone interact. energy: -3.630 local terms energy: -658.226459 where: bonds (distance) C4'-P energy: -123.356 bonds (distance) P-C4' energy: -129.557 flat angles C4'-P-C4' energy: -148.141 flat angles P-C4'-P energy: -95.690 tors. eta vs tors. theta energy: -161.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1894.861682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.861682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.861682 (E_RNA) where: Base-Base interactions energy: -1284.788 where: short stacking energy: -562.206 Base-Backbone interact. energy: -2.020 local terms energy: -608.054068 where: bonds (distance) C4'-P energy: -127.616 bonds (distance) P-C4' energy: -124.919 flat angles C4'-P-C4' energy: -127.652 flat angles P-C4'-P energy: -72.295 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: 7, replica: 2 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1675.627581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.627581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.627581 (E_RNA) where: Base-Base interactions energy: -1104.552 where: short stacking energy: -498.903 Base-Backbone interact. energy: 0.137 local terms energy: -571.212895 where: bonds (distance) C4'-P energy: -116.810 bonds (distance) P-C4' energy: -130.634 flat angles C4'-P-C4' energy: -144.813 flat angles P-C4'-P energy: -64.476 tors. eta vs tors. theta energy: -114.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1475.286422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.286422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.286422 (E_RNA) where: Base-Base interactions energy: -958.050 where: short stacking energy: -414.353 Base-Backbone interact. energy: 10.731 local terms energy: -527.967787 where: bonds (distance) C4'-P energy: -130.288 bonds (distance) P-C4' energy: -130.675 flat angles C4'-P-C4' energy: -131.945 flat angles P-C4'-P energy: -52.503 tors. eta vs tors. theta energy: -82.556 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: 181 Temperature: 1.300000 Total energy: -1057.385516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.385516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.385516 (E_RNA) where: Base-Base interactions energy: -593.555 where: short stacking energy: -308.574 Base-Backbone interact. energy: 7.634 local terms energy: -471.464505 where: bonds (distance) C4'-P energy: -106.721 bonds (distance) P-C4' energy: -149.780 flat angles C4'-P-C4' energy: -123.287 flat angles P-C4'-P energy: -62.705 tors. eta vs tors. theta energy: -28.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -882.188557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.188557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.188557 (E_RNA) where: Base-Base interactions energy: -480.782 where: short stacking energy: -262.843 Base-Backbone interact. energy: 7.625 local terms energy: -409.030946 where: bonds (distance) C4'-P energy: -123.011 bonds (distance) P-C4' energy: -120.866 flat angles C4'-P-C4' energy: -94.943 flat angles P-C4'-P energy: -46.746 tors. eta vs tors. theta energy: -23.466 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: 8 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2527.984399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.984399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.984399 (E_RNA) where: Base-Base interactions energy: -1707.682 where: short stacking energy: -761.667 Base-Backbone interact. energy: -1.046 local terms energy: -819.256438 where: bonds (distance) C4'-P energy: -150.462 bonds (distance) P-C4' energy: -162.388 flat angles C4'-P-C4' energy: -171.235 flat angles P-C4'-P energy: -106.872 tors. eta vs tors. theta energy: -228.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2466.637668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.637668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.637668 (E_RNA) where: Base-Base interactions energy: -1683.825 where: short stacking energy: -708.224 Base-Backbone interact. energy: -3.889 local terms energy: -778.922956 where: bonds (distance) C4'-P energy: -151.416 bonds (distance) P-C4' energy: -142.560 flat angles C4'-P-C4' energy: -161.603 flat angles P-C4'-P energy: -123.397 tors. eta vs tors. theta energy: -199.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2464.360810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.360810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.360810 (E_RNA) where: Base-Base interactions energy: -1698.256 where: short stacking energy: -705.488 Base-Backbone interact. energy: -3.853 local terms energy: -762.251498 where: bonds (distance) C4'-P energy: -145.278 bonds (distance) P-C4' energy: -131.832 flat angles C4'-P-C4' energy: -157.855 flat angles P-C4'-P energy: -112.946 tors. eta vs tors. theta energy: -214.340 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: 4, replica: 7 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2117.275526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.275526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.275526 (E_RNA) where: Base-Base interactions energy: -1423.392 where: short stacking energy: -640.678 Base-Backbone interact. energy: -0.695 local terms energy: -693.188369 where: bonds (distance) C4'-P energy: -124.781 bonds (distance) P-C4' energy: -129.197 flat angles C4'-P-C4' energy: -153.223 flat angles P-C4'-P energy: -106.489 tors. eta vs tors. theta energy: -179.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2026.560527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.560527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.560527 (E_RNA) where: Base-Base interactions energy: -1339.694 where: short stacking energy: -597.347 Base-Backbone interact. energy: -1.570 local terms energy: -685.296710 where: bonds (distance) C4'-P energy: -126.076 bonds (distance) P-C4' energy: -140.113 flat angles C4'-P-C4' energy: -144.830 flat angles P-C4'-P energy: -102.347 tors. eta vs tors. theta energy: -171.931 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: 3 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1897.094532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.094532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.094532 (E_RNA) where: Base-Base interactions energy: -1271.387 where: short stacking energy: -538.784 Base-Backbone interact. energy: -4.169 local terms energy: -621.538275 where: bonds (distance) C4'-P energy: -114.327 bonds (distance) P-C4' energy: -114.136 flat angles C4'-P-C4' energy: -145.218 flat angles P-C4'-P energy: -93.123 tors. eta vs tors. theta energy: -154.735 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: 182 Temperature: 1.200000 Total energy: -1701.383944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.383944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.383944 (E_RNA) where: Base-Base interactions energy: -1126.941 where: short stacking energy: -515.935 Base-Backbone interact. energy: -1.944 local terms energy: -572.498833 where: bonds (distance) C4'-P energy: -114.148 bonds (distance) P-C4' energy: -135.653 flat angles C4'-P-C4' energy: -125.306 flat angles P-C4'-P energy: -73.554 tors. eta vs tors. theta energy: -123.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1474.466132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.466132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.466132 (E_RNA) where: Base-Base interactions energy: -939.525 where: short stacking energy: -399.931 Base-Backbone interact. energy: -3.913 local terms energy: -531.028277 where: bonds (distance) C4'-P energy: -110.520 bonds (distance) P-C4' energy: -123.669 flat angles C4'-P-C4' energy: -134.961 flat angles P-C4'-P energy: -86.952 tors. eta vs tors. theta energy: -74.926 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: 182 Temperature: 1.300000 Total energy: -1151.344553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.344553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.344553 (E_RNA) where: Base-Base interactions energy: -645.686 where: short stacking energy: -307.134 Base-Backbone interact. energy: 10.788 local terms energy: -516.445746 where: bonds (distance) C4'-P energy: -130.255 bonds (distance) P-C4' energy: -141.588 flat angles C4'-P-C4' energy: -123.364 flat angles P-C4'-P energy: -84.147 tors. eta vs tors. theta energy: -37.092 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: 5 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -905.208938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.208938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.208938 (E_RNA) where: Base-Base interactions energy: -509.418 where: short stacking energy: -251.869 Base-Backbone interact. energy: 1.444 local terms energy: -397.235308 where: bonds (distance) C4'-P energy: -106.907 bonds (distance) P-C4' energy: -114.127 flat angles C4'-P-C4' energy: -120.762 flat angles P-C4'-P energy: -40.295 tors. eta vs tors. theta energy: -15.145 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: 8 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2554.761402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.761402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.761402 (E_RNA) where: Base-Base interactions energy: -1742.331 where: short stacking energy: -762.319 Base-Backbone interact. energy: -3.163 local terms energy: -809.267514 where: bonds (distance) C4'-P energy: -154.081 bonds (distance) P-C4' energy: -152.383 flat angles C4'-P-C4' energy: -169.440 flat angles P-C4'-P energy: -118.162 tors. eta vs tors. theta energy: -215.201 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: 4 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2475.989350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.989350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.989350 (E_RNA) where: Base-Base interactions energy: -1710.549 where: short stacking energy: -734.501 Base-Backbone interact. energy: 2.729 local terms energy: -768.168903 where: bonds (distance) C4'-P energy: -149.632 bonds (distance) P-C4' energy: -142.222 flat angles C4'-P-C4' energy: -159.293 flat angles P-C4'-P energy: -103.172 tors. eta vs tors. theta energy: -213.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2439.561990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.561990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.561990 (E_RNA) where: Base-Base interactions energy: -1699.126 where: short stacking energy: -694.798 Base-Backbone interact. energy: 1.470 local terms energy: -741.905200 where: bonds (distance) C4'-P energy: -150.023 bonds (distance) P-C4' energy: -132.990 flat angles C4'-P-C4' energy: -152.407 flat angles P-C4'-P energy: -99.235 tors. eta vs tors. theta energy: -207.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2163.195686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.195686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.195686 (E_RNA) where: Base-Base interactions energy: -1487.445 where: short stacking energy: -665.088 Base-Backbone interact. energy: 1.867 local terms energy: -677.617948 where: bonds (distance) C4'-P energy: -122.485 bonds (distance) P-C4' energy: -124.598 flat angles C4'-P-C4' energy: -141.210 flat angles P-C4'-P energy: -106.812 tors. eta vs tors. theta energy: -182.513 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: 10 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2118.801912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.801912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.801912 (E_RNA) where: Base-Base interactions energy: -1425.216 where: short stacking energy: -640.402 Base-Backbone interact. energy: -2.862 local terms energy: -690.724151 where: bonds (distance) C4'-P energy: -144.680 bonds (distance) P-C4' energy: -129.330 flat angles C4'-P-C4' energy: -143.781 flat angles P-C4'-P energy: -89.807 tors. eta vs tors. theta energy: -183.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1928.545276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.545276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.545276 (E_RNA) where: Base-Base interactions energy: -1281.242 where: short stacking energy: -566.225 Base-Backbone interact. energy: 0.547 local terms energy: -647.850745 where: bonds (distance) C4'-P energy: -119.994 bonds (distance) P-C4' energy: -134.317 flat angles C4'-P-C4' energy: -145.471 flat angles P-C4'-P energy: -102.036 tors. eta vs tors. theta energy: -146.032 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: 7, replica: 2 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1777.011597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.011597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.011597 (E_RNA) where: Base-Base interactions energy: -1203.777 where: short stacking energy: -541.710 Base-Backbone interact. energy: 0.064 local terms energy: -573.298683 where: bonds (distance) C4'-P energy: -115.325 bonds (distance) P-C4' energy: -109.658 flat angles C4'-P-C4' energy: -136.542 flat angles P-C4'-P energy: -91.583 tors. eta vs tors. theta energy: -120.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1360.877668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.877668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.877668 (E_RNA) where: Base-Base interactions energy: -868.367 where: short stacking energy: -407.351 Base-Backbone interact. energy: -0.405 local terms energy: -492.105401 where: bonds (distance) C4'-P energy: -114.721 bonds (distance) P-C4' energy: -108.969 flat angles C4'-P-C4' energy: -131.864 flat angles P-C4'-P energy: -72.537 tors. eta vs tors. theta energy: -64.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1112.949933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.949933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.949933 (E_RNA) where: Base-Base interactions energy: -636.763 where: short stacking energy: -329.429 Base-Backbone interact. energy: -4.041 local terms energy: -472.146388 where: bonds (distance) C4'-P energy: -123.880 bonds (distance) P-C4' energy: -120.770 flat angles C4'-P-C4' energy: -113.122 flat angles P-C4'-P energy: -76.115 tors. eta vs tors. theta energy: -38.260 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: 10, replica: 5 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -980.598614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.598614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.598614 (E_RNA) where: Base-Base interactions energy: -527.249 where: short stacking energy: -272.468 Base-Backbone interact. energy: -4.295 local terms energy: -449.054980 where: bonds (distance) C4'-P energy: -113.925 bonds (distance) P-C4' energy: -120.693 flat angles C4'-P-C4' energy: -129.182 flat angles P-C4'-P energy: -57.733 tors. eta vs tors. theta energy: -27.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2544.310561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.310561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.310561 (E_RNA) where: Base-Base interactions energy: -1734.298 where: short stacking energy: -765.378 Base-Backbone interact. energy: -2.072 local terms energy: -807.940602 where: bonds (distance) C4'-P energy: -149.724 bonds (distance) P-C4' energy: -153.937 flat angles C4'-P-C4' energy: -173.763 flat angles P-C4'-P energy: -116.690 tors. eta vs tors. theta energy: -213.827 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: 4 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2506.930200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.930200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.930200 (E_RNA) where: Base-Base interactions energy: -1742.412 where: short stacking energy: -747.847 Base-Backbone interact. energy: -4.020 local terms energy: -760.497799 where: bonds (distance) C4'-P energy: -138.223 bonds (distance) P-C4' energy: -138.305 flat angles C4'-P-C4' energy: -153.862 flat angles P-C4'-P energy: -107.379 tors. eta vs tors. theta energy: -222.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2398.586054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.586054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.586054 (E_RNA) where: Base-Base interactions energy: -1684.378 where: short stacking energy: -689.103 Base-Backbone interact. energy: -3.008 local terms energy: -711.199704 where: bonds (distance) C4'-P energy: -136.781 bonds (distance) P-C4' energy: -135.151 flat angles C4'-P-C4' energy: -151.033 flat angles P-C4'-P energy: -93.727 tors. eta vs tors. theta energy: -194.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2145.727687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.727687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.727687 (E_RNA) where: Base-Base interactions energy: -1430.436 where: short stacking energy: -620.420 Base-Backbone interact. energy: -4.772 local terms energy: -710.519405 where: bonds (distance) C4'-P energy: -129.602 bonds (distance) P-C4' energy: -150.500 flat angles C4'-P-C4' energy: -154.464 flat angles P-C4'-P energy: -101.680 tors. eta vs tors. theta energy: -174.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2091.675401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.675401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.675401 (E_RNA) where: Base-Base interactions energy: -1410.413 where: short stacking energy: -643.453 Base-Backbone interact. energy: 1.472 local terms energy: -682.734976 where: bonds (distance) C4'-P energy: -124.712 bonds (distance) P-C4' energy: -126.297 flat angles C4'-P-C4' energy: -154.681 flat angles P-C4'-P energy: -84.353 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: 6, replica: 3 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1915.765389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.765389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.765389 (E_RNA) where: Base-Base interactions energy: -1284.299 where: short stacking energy: -551.969 Base-Backbone interact. energy: -4.959 local terms energy: -626.507369 where: bonds (distance) C4'-P energy: -120.757 bonds (distance) P-C4' energy: -122.760 flat angles C4'-P-C4' energy: -142.354 flat angles P-C4'-P energy: -101.108 tors. eta vs tors. theta energy: -139.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1691.240443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.240443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.240443 (E_RNA) where: Base-Base interactions energy: -1130.733 where: short stacking energy: -481.481 Base-Backbone interact. energy: -0.435 local terms energy: -560.072680 where: bonds (distance) C4'-P energy: -119.818 bonds (distance) P-C4' energy: -124.865 flat angles C4'-P-C4' energy: -122.839 flat angles P-C4'-P energy: -87.550 tors. eta vs tors. theta energy: -104.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1337.902119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.902119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.902119 (E_RNA) where: Base-Base interactions energy: -839.405 where: short stacking energy: -389.153 Base-Backbone interact. energy: -0.013 local terms energy: -498.484306 where: bonds (distance) C4'-P energy: -108.683 bonds (distance) P-C4' energy: -138.161 flat angles C4'-P-C4' energy: -118.754 flat angles P-C4'-P energy: -73.375 tors. eta vs tors. theta energy: -59.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1179.466128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.466128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.466128 (E_RNA) where: Base-Base interactions energy: -720.192 where: short stacking energy: -317.487 Base-Backbone interact. energy: 1.159 local terms energy: -460.433422 where: bonds (distance) C4'-P energy: -129.230 bonds (distance) P-C4' energy: -136.991 flat angles C4'-P-C4' energy: -108.288 flat angles P-C4'-P energy: -61.829 tors. eta vs tors. theta energy: -24.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -954.444123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.444123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.444123 (E_RNA) where: Base-Base interactions energy: -573.674 where: short stacking energy: -277.731 Base-Backbone interact. energy: -3.397 local terms energy: -377.372715 where: bonds (distance) C4'-P energy: -91.054 bonds (distance) P-C4' energy: -111.114 flat angles C4'-P-C4' energy: -110.465 flat angles P-C4'-P energy: -52.642 tors. eta vs tors. theta energy: -12.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2525.018481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.018481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.018481 (E_RNA) where: Base-Base interactions energy: -1718.568 where: short stacking energy: -774.764 Base-Backbone interact. energy: 0.653 local terms energy: -807.103583 where: bonds (distance) C4'-P energy: -151.449 bonds (distance) P-C4' energy: -154.309 flat angles C4'-P-C4' energy: -167.259 flat angles P-C4'-P energy: -104.037 tors. eta vs tors. theta energy: -230.050 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: 4 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2527.197525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.197525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.197525 (E_RNA) where: Base-Base interactions energy: -1755.759 where: short stacking energy: -745.890 Base-Backbone interact. energy: -1.667 local terms energy: -769.771696 where: bonds (distance) C4'-P energy: -144.531 bonds (distance) P-C4' energy: -130.042 flat angles C4'-P-C4' energy: -169.477 flat angles P-C4'-P energy: -109.182 tors. eta vs tors. theta energy: -216.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2339.830799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.830799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.830799 (E_RNA) where: Base-Base interactions energy: -1643.383 where: short stacking energy: -671.696 Base-Backbone interact. energy: -4.236 local terms energy: -692.211977 where: bonds (distance) C4'-P energy: -132.604 bonds (distance) P-C4' energy: -133.282 flat angles C4'-P-C4' energy: -144.445 flat angles P-C4'-P energy: -98.379 tors. eta vs tors. theta energy: -183.501 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: 7 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2137.778747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.778747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.778747 (E_RNA) where: Base-Base interactions energy: -1441.173 where: short stacking energy: -645.854 Base-Backbone interact. energy: -2.841 local terms energy: -693.764835 where: bonds (distance) C4'-P energy: -125.090 bonds (distance) P-C4' energy: -134.309 flat angles C4'-P-C4' energy: -151.710 flat angles P-C4'-P energy: -106.237 tors. eta vs tors. theta energy: -176.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2058.986252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.986252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.986252 (E_RNA) where: Base-Base interactions energy: -1349.817 where: short stacking energy: -592.363 Base-Backbone interact. energy: 2.235 local terms energy: -711.405236 where: bonds (distance) C4'-P energy: -130.208 bonds (distance) P-C4' energy: -154.341 flat angles C4'-P-C4' energy: -153.988 flat angles P-C4'-P energy: -107.573 tors. eta vs tors. theta energy: -165.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1852.924424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.924424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.924424 (E_RNA) where: Base-Base interactions energy: -1234.880 where: short stacking energy: -515.581 Base-Backbone interact. energy: -1.835 local terms energy: -616.208814 where: bonds (distance) C4'-P energy: -116.367 bonds (distance) P-C4' energy: -134.517 flat angles C4'-P-C4' energy: -141.156 flat angles P-C4'-P energy: -88.182 tors. eta vs tors. theta energy: -135.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1707.524037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.524037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.524037 (E_RNA) where: Base-Base interactions energy: -1121.372 where: short stacking energy: -505.029 Base-Backbone interact. energy: -2.166 local terms energy: -583.986668 where: bonds (distance) C4'-P energy: -118.611 bonds (distance) P-C4' energy: -120.640 flat angles C4'-P-C4' energy: -142.584 flat angles P-C4'-P energy: -82.368 tors. eta vs tors. theta energy: -119.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1338.821534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.821534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.821534 (E_RNA) where: Base-Base interactions energy: -811.010 where: short stacking energy: -367.684 Base-Backbone interact. energy: -1.248 local terms energy: -526.563567 where: bonds (distance) C4'-P energy: -125.503 bonds (distance) P-C4' energy: -132.696 flat angles C4'-P-C4' energy: -124.003 flat angles P-C4'-P energy: -66.793 tors. eta vs tors. theta energy: -77.569 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: 9, replica: 9 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1078.668117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.668117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.668117 (E_RNA) where: Base-Base interactions energy: -630.869 where: short stacking energy: -312.819 Base-Backbone interact. energy: -0.014 local terms energy: -447.785297 where: bonds (distance) C4'-P energy: -111.404 bonds (distance) P-C4' energy: -114.885 flat angles C4'-P-C4' energy: -104.825 flat angles P-C4'-P energy: -85.498 tors. eta vs tors. theta energy: -31.173 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: 10, replica: 5 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -933.070074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.070074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.070074 (E_RNA) where: Base-Base interactions energy: -501.035 where: short stacking energy: -258.767 Base-Backbone interact. energy: -1.745 local terms energy: -430.290176 where: bonds (distance) C4'-P energy: -110.671 bonds (distance) P-C4' energy: -118.848 flat angles C4'-P-C4' energy: -105.605 flat angles P-C4'-P energy: -78.610 tors. eta vs tors. theta energy: -16.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2535.771191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.771191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.771191 (E_RNA) where: Base-Base interactions energy: -1733.468 where: short stacking energy: -778.659 Base-Backbone interact. energy: -1.628 local terms energy: -800.675013 where: bonds (distance) C4'-P energy: -137.883 bonds (distance) P-C4' energy: -150.096 flat angles C4'-P-C4' energy: -173.269 flat angles P-C4'-P energy: -112.165 tors. eta vs tors. theta energy: -227.262 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: 4 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2508.617667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.617667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.617667 (E_RNA) where: Base-Base interactions energy: -1735.053 where: short stacking energy: -743.583 Base-Backbone interact. energy: -3.284 local terms energy: -770.280840 where: bonds (distance) C4'-P energy: -131.909 bonds (distance) P-C4' energy: -126.630 flat angles C4'-P-C4' energy: -167.524 flat angles P-C4'-P energy: -119.825 tors. eta vs tors. theta energy: -224.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2373.022875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.022875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.022875 (E_RNA) where: Base-Base interactions energy: -1630.450 where: short stacking energy: -669.080 Base-Backbone interact. energy: -4.110 local terms energy: -738.463502 where: bonds (distance) C4'-P energy: -140.324 bonds (distance) P-C4' energy: -132.275 flat angles C4'-P-C4' energy: -153.816 flat angles P-C4'-P energy: -107.539 tors. eta vs tors. theta energy: -204.510 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: 7 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2222.713075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.713075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.713075 (E_RNA) where: Base-Base interactions energy: -1507.055 where: short stacking energy: -663.827 Base-Backbone interact. energy: -3.247 local terms energy: -712.411185 where: bonds (distance) C4'-P energy: -141.612 bonds (distance) P-C4' energy: -139.321 flat angles C4'-P-C4' energy: -152.640 flat angles P-C4'-P energy: -90.470 tors. eta vs tors. theta energy: -188.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2096.128975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.128975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.128975 (E_RNA) where: Base-Base interactions energy: -1419.338 where: short stacking energy: -605.281 Base-Backbone interact. energy: -2.446 local terms energy: -674.344778 where: bonds (distance) C4'-P energy: -137.198 bonds (distance) P-C4' energy: -119.562 flat angles C4'-P-C4' energy: -155.019 flat angles P-C4'-P energy: -92.216 tors. eta vs tors. theta energy: -170.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1880.078446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.078446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.078446 (E_RNA) where: Base-Base interactions energy: -1248.107 where: short stacking energy: -500.979 Base-Backbone interact. energy: 3.864 local terms energy: -635.835976 where: bonds (distance) C4'-P energy: -129.653 bonds (distance) P-C4' energy: -138.726 flat angles C4'-P-C4' energy: -151.300 flat angles P-C4'-P energy: -83.229 tors. eta vs tors. theta energy: -132.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1752.944785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.944785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.944785 (E_RNA) where: Base-Base interactions energy: -1162.130 where: short stacking energy: -537.199 Base-Backbone interact. energy: 3.636 local terms energy: -594.450830 where: bonds (distance) C4'-P energy: -131.948 bonds (distance) P-C4' energy: -112.570 flat angles C4'-P-C4' energy: -130.461 flat angles P-C4'-P energy: -99.673 tors. eta vs tors. theta energy: -119.798 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: 6 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1393.550725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.550725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.550725 (E_RNA) where: Base-Base interactions energy: -938.377 where: short stacking energy: -419.801 Base-Backbone interact. energy: -2.405 local terms energy: -452.769405 where: bonds (distance) C4'-P energy: -94.368 bonds (distance) P-C4' energy: -120.964 flat angles C4'-P-C4' energy: -116.109 flat angles P-C4'-P energy: -45.523 tors. eta vs tors. theta energy: -75.805 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: 186 Temperature: 1.300000 Total energy: -1014.027264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.027264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.027264 (E_RNA) where: Base-Base interactions energy: -568.794 where: short stacking energy: -289.930 Base-Backbone interact. energy: 0.697 local terms energy: -445.930367 where: bonds (distance) C4'-P energy: -122.390 bonds (distance) P-C4' energy: -128.079 flat angles C4'-P-C4' energy: -111.995 flat angles P-C4'-P energy: -61.253 tors. eta vs tors. theta energy: -22.215 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: 5 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -895.006078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.006078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.006078 (E_RNA) where: Base-Base interactions energy: -489.109 where: short stacking energy: -272.341 Base-Backbone interact. energy: -4.833 local terms energy: -401.064059 where: bonds (distance) C4'-P energy: -103.129 bonds (distance) P-C4' energy: -111.338 flat angles C4'-P-C4' energy: -106.338 flat angles P-C4'-P energy: -60.775 tors. eta vs tors. theta energy: -19.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2564.484245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.484245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.484245 (E_RNA) where: Base-Base interactions energy: -1739.197 where: short stacking energy: -766.664 Base-Backbone interact. energy: -2.626 local terms energy: -822.661249 where: bonds (distance) C4'-P energy: -144.661 bonds (distance) P-C4' energy: -164.298 flat angles C4'-P-C4' energy: -153.217 flat angles P-C4'-P energy: -120.218 tors. eta vs tors. theta energy: -240.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2527.973336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.973336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.973336 (E_RNA) where: Base-Base interactions energy: -1727.625 where: short stacking energy: -754.754 Base-Backbone interact. energy: -1.324 local terms energy: -799.024774 where: bonds (distance) C4'-P energy: -144.242 bonds (distance) P-C4' energy: -157.655 flat angles C4'-P-C4' energy: -157.250 flat angles P-C4'-P energy: -116.040 tors. eta vs tors. theta energy: -223.838 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: 1 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2371.464873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.464873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.464873 (E_RNA) where: Base-Base interactions energy: -1665.099 where: short stacking energy: -687.321 Base-Backbone interact. energy: -1.121 local terms energy: -705.244727 where: bonds (distance) C4'-P energy: -125.253 bonds (distance) P-C4' energy: -130.691 flat angles C4'-P-C4' energy: -160.100 flat angles P-C4'-P energy: -92.087 tors. eta vs tors. theta energy: -197.114 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: 7 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2180.014720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.014720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.014720 (E_RNA) where: Base-Base interactions energy: -1506.181 where: short stacking energy: -658.398 Base-Backbone interact. energy: -0.957 local terms energy: -672.877112 where: bonds (distance) C4'-P energy: -142.472 bonds (distance) P-C4' energy: -116.010 flat angles C4'-P-C4' energy: -150.644 flat angles P-C4'-P energy: -95.633 tors. eta vs tors. theta energy: -168.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2084.649487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.649487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.649487 (E_RNA) where: Base-Base interactions energy: -1431.015 where: short stacking energy: -624.032 Base-Backbone interact. energy: -4.579 local terms energy: -649.054798 where: bonds (distance) C4'-P energy: -114.605 bonds (distance) P-C4' energy: -130.579 flat angles C4'-P-C4' energy: -158.192 flat angles P-C4'-P energy: -87.647 tors. eta vs tors. theta energy: -158.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1901.137191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.137191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.137191 (E_RNA) where: Base-Base interactions energy: -1268.600 where: short stacking energy: -525.260 Base-Backbone interact. energy: -3.038 local terms energy: -629.499202 where: bonds (distance) C4'-P energy: -115.339 bonds (distance) P-C4' energy: -143.430 flat angles C4'-P-C4' energy: -153.851 flat angles P-C4'-P energy: -89.385 tors. eta vs tors. theta energy: -127.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1754.774811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.774811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.774811 (E_RNA) where: Base-Base interactions energy: -1145.150 where: short stacking energy: -523.287 Base-Backbone interact. energy: -0.324 local terms energy: -609.300815 where: bonds (distance) C4'-P energy: -109.951 bonds (distance) P-C4' energy: -147.977 flat angles C4'-P-C4' energy: -145.308 flat angles P-C4'-P energy: -81.262 tors. eta vs tors. theta energy: -124.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1404.572236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.572236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.572236 (E_RNA) where: Base-Base interactions energy: -865.099 where: short stacking energy: -407.235 Base-Backbone interact. energy: 0.845 local terms energy: -540.317807 where: bonds (distance) C4'-P energy: -115.806 bonds (distance) P-C4' energy: -128.904 flat angles C4'-P-C4' energy: -132.322 flat angles P-C4'-P energy: -82.612 tors. eta vs tors. theta energy: -80.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -954.651479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.651479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.651479 (E_RNA) where: Base-Base interactions energy: -509.428 where: short stacking energy: -260.451 Base-Backbone interact. energy: 3.435 local terms energy: -448.658681 where: bonds (distance) C4'-P energy: -126.391 bonds (distance) P-C4' energy: -122.480 flat angles C4'-P-C4' energy: -118.664 flat angles P-C4'-P energy: -63.574 tors. eta vs tors. theta energy: -17.550 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: 5 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -943.557208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.557208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.557208 (E_RNA) where: Base-Base interactions energy: -551.401 where: short stacking energy: -258.951 Base-Backbone interact. energy: -0.100 local terms energy: -392.055778 where: bonds (distance) C4'-P energy: -102.513 bonds (distance) P-C4' energy: -118.587 flat angles C4'-P-C4' energy: -123.205 flat angles P-C4'-P energy: -37.793 tors. eta vs tors. theta energy: -9.957 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: 8 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2524.684401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.684401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.684401 (E_RNA) where: Base-Base interactions energy: -1729.889 where: short stacking energy: -775.856 Base-Backbone interact. energy: -4.641 local terms energy: -790.154841 where: bonds (distance) C4'-P energy: -142.107 bonds (distance) P-C4' energy: -160.554 flat angles C4'-P-C4' energy: -160.206 flat angles P-C4'-P energy: -99.829 tors. eta vs tors. theta energy: -227.458 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: 4 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2515.567557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.567557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.567557 (E_RNA) where: Base-Base interactions energy: -1711.653 where: short stacking energy: -759.486 Base-Backbone interact. energy: -3.002 local terms energy: -800.913110 where: bonds (distance) C4'-P energy: -146.404 bonds (distance) P-C4' energy: -144.032 flat angles C4'-P-C4' energy: -166.442 flat angles P-C4'-P energy: -127.241 tors. eta vs tors. theta energy: -216.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2426.658568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.658568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.658568 (E_RNA) where: Base-Base interactions energy: -1685.295 where: short stacking energy: -696.514 Base-Backbone interact. energy: 0.427 local terms energy: -741.790300 where: bonds (distance) C4'-P energy: -133.128 bonds (distance) P-C4' energy: -132.113 flat angles C4'-P-C4' energy: -152.770 flat angles P-C4'-P energy: -114.736 tors. eta vs tors. theta energy: -209.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2199.283891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.283891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.283891 (E_RNA) where: Base-Base interactions energy: -1451.106 where: short stacking energy: -638.914 Base-Backbone interact. energy: -3.253 local terms energy: -744.924688 where: bonds (distance) C4'-P energy: -144.828 bonds (distance) P-C4' energy: -154.821 flat angles C4'-P-C4' energy: -160.319 flat angles P-C4'-P energy: -101.199 tors. eta vs tors. theta energy: -183.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2082.084748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.084748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.084748 (E_RNA) where: Base-Base interactions energy: -1377.575 where: short stacking energy: -634.563 Base-Backbone interact. energy: -0.227 local terms energy: -704.283208 where: bonds (distance) C4'-P energy: -127.049 bonds (distance) P-C4' energy: -125.945 flat angles C4'-P-C4' energy: -154.993 flat angles P-C4'-P energy: -113.188 tors. eta vs tors. theta energy: -183.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1913.830925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.830925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.830925 (E_RNA) where: Base-Base interactions energy: -1276.682 where: short stacking energy: -547.716 Base-Backbone interact. energy: -2.115 local terms energy: -635.034026 where: bonds (distance) C4'-P energy: -122.323 bonds (distance) P-C4' energy: -124.791 flat angles C4'-P-C4' energy: -156.721 flat angles P-C4'-P energy: -97.135 tors. eta vs tors. theta energy: -134.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1767.263295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.263295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.263295 (E_RNA) where: Base-Base interactions energy: -1180.558 where: short stacking energy: -496.241 Base-Backbone interact. energy: 8.238 local terms energy: -594.943756 where: bonds (distance) C4'-P energy: -114.414 bonds (distance) P-C4' energy: -122.909 flat angles C4'-P-C4' energy: -142.576 flat angles P-C4'-P energy: -91.217 tors. eta vs tors. theta energy: -123.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1373.367954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.367954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.367954 (E_RNA) where: Base-Base interactions energy: -863.304 where: short stacking energy: -358.607 Base-Backbone interact. energy: -6.845 local terms energy: -503.219070 where: bonds (distance) C4'-P energy: -122.561 bonds (distance) P-C4' energy: -133.371 flat angles C4'-P-C4' energy: -108.947 flat angles P-C4'-P energy: -65.702 tors. eta vs tors. theta energy: -72.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1044.958101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.958101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.958101 (E_RNA) where: Base-Base interactions energy: -594.672 where: short stacking energy: -304.335 Base-Backbone interact. energy: 3.701 local terms energy: -453.987237 where: bonds (distance) C4'-P energy: -112.289 bonds (distance) P-C4' energy: -115.482 flat angles C4'-P-C4' energy: -113.565 flat angles P-C4'-P energy: -74.965 tors. eta vs tors. theta energy: -37.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -919.259310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.259310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.259310 (E_RNA) where: Base-Base interactions energy: -499.502 where: short stacking energy: -260.132 Base-Backbone interact. energy: 2.455 local terms energy: -422.211747 where: bonds (distance) C4'-P energy: -137.997 bonds (distance) P-C4' energy: -115.357 flat angles C4'-P-C4' energy: -101.839 flat angles P-C4'-P energy: -55.736 tors. eta vs tors. theta energy: -11.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2529.161151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.161151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.161151 (E_RNA) where: Base-Base interactions energy: -1718.707 where: short stacking energy: -765.628 Base-Backbone interact. energy: -2.118 local terms energy: -808.336408 where: bonds (distance) C4'-P energy: -139.785 bonds (distance) P-C4' energy: -144.826 flat angles C4'-P-C4' energy: -173.574 flat angles P-C4'-P energy: -122.079 tors. eta vs tors. theta energy: -228.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2532.185257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.185257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.185257 (E_RNA) where: Base-Base interactions energy: -1749.988 where: short stacking energy: -767.076 Base-Backbone interact. energy: 0.144 local terms energy: -782.341426 where: bonds (distance) C4'-P energy: -129.617 bonds (distance) P-C4' energy: -141.612 flat angles C4'-P-C4' energy: -175.452 flat angles P-C4'-P energy: -101.906 tors. eta vs tors. theta energy: -233.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2372.953843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.953843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.953843 (E_RNA) where: Base-Base interactions energy: -1656.774 where: short stacking energy: -679.193 Base-Backbone interact. energy: 3.707 local terms energy: -719.886549 where: bonds (distance) C4'-P energy: -124.009 bonds (distance) P-C4' energy: -141.923 flat angles C4'-P-C4' energy: -159.217 flat angles P-C4'-P energy: -108.748 tors. eta vs tors. theta energy: -185.991 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: 7 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2220.321002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.321002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.321002 (E_RNA) where: Base-Base interactions energy: -1500.143 where: short stacking energy: -666.403 Base-Backbone interact. energy: 0.581 local terms energy: -720.758186 where: bonds (distance) C4'-P energy: -123.558 bonds (distance) P-C4' energy: -134.577 flat angles C4'-P-C4' energy: -166.332 flat angles P-C4'-P energy: -101.184 tors. eta vs tors. theta energy: -195.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2052.807336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.807336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.807336 (E_RNA) where: Base-Base interactions energy: -1360.597 where: short stacking energy: -597.967 Base-Backbone interact. energy: -3.132 local terms energy: -689.078626 where: bonds (distance) C4'-P energy: -122.812 bonds (distance) P-C4' energy: -134.023 flat angles C4'-P-C4' energy: -162.824 flat angles P-C4'-P energy: -99.580 tors. eta vs tors. theta energy: -169.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1846.675450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.675450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.675450 (E_RNA) where: Base-Base interactions energy: -1244.927 where: short stacking energy: -522.460 Base-Backbone interact. energy: -3.263 local terms energy: -598.485213 where: bonds (distance) C4'-P energy: -107.115 bonds (distance) P-C4' energy: -139.300 flat angles C4'-P-C4' energy: -145.771 flat angles P-C4'-P energy: -77.765 tors. eta vs tors. theta energy: -128.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1754.671012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.671012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.671012 (E_RNA) where: Base-Base interactions energy: -1175.296 where: short stacking energy: -524.051 Base-Backbone interact. energy: 3.964 local terms energy: -583.338969 where: bonds (distance) C4'-P energy: -98.050 bonds (distance) P-C4' energy: -121.300 flat angles C4'-P-C4' energy: -151.232 flat angles P-C4'-P energy: -77.754 tors. eta vs tors. theta energy: -135.004 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: 8, replica: 6 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1408.263693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.263693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.263693 (E_RNA) where: Base-Base interactions energy: -869.315 where: short stacking energy: -396.913 Base-Backbone interact. energy: -0.410 local terms energy: -538.538111 where: bonds (distance) C4'-P energy: -134.572 bonds (distance) P-C4' energy: -131.079 flat angles C4'-P-C4' energy: -147.488 flat angles P-C4'-P energy: -67.913 tors. eta vs tors. theta energy: -57.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1058.060061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.060061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.060061 (E_RNA) where: Base-Base interactions energy: -604.854 where: short stacking energy: -309.390 Base-Backbone interact. energy: -1.299 local terms energy: -451.906864 where: bonds (distance) C4'-P energy: -105.436 bonds (distance) P-C4' energy: -124.993 flat angles C4'-P-C4' energy: -133.057 flat angles P-C4'-P energy: -57.579 tors. eta vs tors. theta energy: -30.843 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: 9 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -913.569499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.569499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.569499 (E_RNA) where: Base-Base interactions energy: -495.216 where: short stacking energy: -237.836 Base-Backbone interact. energy: 1.180 local terms energy: -419.533426 where: bonds (distance) C4'-P energy: -130.709 bonds (distance) P-C4' energy: -129.130 flat angles C4'-P-C4' energy: -93.638 flat angles P-C4'-P energy: -63.997 tors. eta vs tors. theta energy: -2.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2546.988009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.988009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.988009 (E_RNA) where: Base-Base interactions energy: -1741.380 where: short stacking energy: -770.116 Base-Backbone interact. energy: -3.878 local terms energy: -801.729814 where: bonds (distance) C4'-P energy: -155.263 bonds (distance) P-C4' energy: -143.140 flat angles C4'-P-C4' energy: -166.696 flat angles P-C4'-P energy: -118.759 tors. eta vs tors. theta energy: -217.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2526.351519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.351519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.351519 (E_RNA) where: Base-Base interactions energy: -1717.577 where: short stacking energy: -761.734 Base-Backbone interact. energy: -0.935 local terms energy: -807.839047 where: bonds (distance) C4'-P energy: -156.759 bonds (distance) P-C4' energy: -147.689 flat angles C4'-P-C4' energy: -168.885 flat angles P-C4'-P energy: -110.527 tors. eta vs tors. theta energy: -223.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2417.182369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.182369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.182369 (E_RNA) where: Base-Base interactions energy: -1688.647 where: short stacking energy: -702.122 Base-Backbone interact. energy: -2.279 local terms energy: -726.256108 where: bonds (distance) C4'-P energy: -133.382 bonds (distance) P-C4' energy: -128.667 flat angles C4'-P-C4' energy: -159.782 flat angles P-C4'-P energy: -96.700 tors. eta vs tors. theta energy: -207.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2131.534306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.534306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.534306 (E_RNA) where: Base-Base interactions energy: -1437.982 where: short stacking energy: -631.303 Base-Backbone interact. energy: -1.955 local terms energy: -691.597052 where: bonds (distance) C4'-P energy: -126.937 bonds (distance) P-C4' energy: -131.897 flat angles C4'-P-C4' energy: -156.146 flat angles P-C4'-P energy: -109.182 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: 3 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1956.874150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.874150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.874150 (E_RNA) where: Base-Base interactions energy: -1324.731 where: short stacking energy: -540.541 Base-Backbone interact. energy: -3.810 local terms energy: -628.332902 where: bonds (distance) C4'-P energy: -139.175 bonds (distance) P-C4' energy: -141.021 flat angles C4'-P-C4' energy: -136.766 flat angles P-C4'-P energy: -83.608 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: 10 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1953.683330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.683330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.683330 (E_RNA) where: Base-Base interactions energy: -1333.285 where: short stacking energy: -578.418 Base-Backbone interact. energy: -1.643 local terms energy: -618.754968 where: bonds (distance) C4'-P energy: -108.696 bonds (distance) P-C4' energy: -132.628 flat angles C4'-P-C4' energy: -133.991 flat angles P-C4'-P energy: -95.039 tors. eta vs tors. theta energy: -148.402 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: 2 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1814.304351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.304351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.304351 (E_RNA) where: Base-Base interactions energy: -1214.023 where: short stacking energy: -531.256 Base-Backbone interact. energy: 3.014 local terms energy: -603.295228 where: bonds (distance) C4'-P energy: -118.000 bonds (distance) P-C4' energy: -129.443 flat angles C4'-P-C4' energy: -122.660 flat angles P-C4'-P energy: -108.341 tors. eta vs tors. theta energy: -124.852 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: 6 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1409.253868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.253868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.253868 (E_RNA) where: Base-Base interactions energy: -887.759 where: short stacking energy: -401.310 Base-Backbone interact. energy: 1.144 local terms energy: -522.638796 where: bonds (distance) C4'-P energy: -98.303 bonds (distance) P-C4' energy: -122.982 flat angles C4'-P-C4' energy: -134.785 flat angles P-C4'-P energy: -91.721 tors. eta vs tors. theta energy: -74.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1065.159780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.159780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.159780 (E_RNA) where: Base-Base interactions energy: -604.285 where: short stacking energy: -322.347 Base-Backbone interact. energy: -0.986 local terms energy: -459.889138 where: bonds (distance) C4'-P energy: -118.177 bonds (distance) P-C4' energy: -124.579 flat angles C4'-P-C4' energy: -115.133 flat angles P-C4'-P energy: -69.617 tors. eta vs tors. theta energy: -32.383 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: 10, replica: 9 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -810.557001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.557001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.557001 (E_RNA) where: Base-Base interactions energy: -402.164 where: short stacking energy: -221.037 Base-Backbone interact. energy: 5.723 local terms energy: -414.116257 where: bonds (distance) C4'-P energy: -139.840 bonds (distance) P-C4' energy: -87.914 flat angles C4'-P-C4' energy: -129.958 flat angles P-C4'-P energy: -62.100 tors. eta vs tors. theta energy: 5.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2551.779409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.779409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.779409 (E_RNA) where: Base-Base interactions energy: -1723.112 where: short stacking energy: -786.252 Base-Backbone interact. energy: -2.062 local terms energy: -826.604949 where: bonds (distance) C4'-P energy: -139.735 bonds (distance) P-C4' energy: -157.351 flat angles C4'-P-C4' energy: -177.611 flat angles P-C4'-P energy: -126.206 tors. eta vs tors. theta energy: -225.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2535.229098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.229098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.229098 (E_RNA) where: Base-Base interactions energy: -1754.894 where: short stacking energy: -762.562 Base-Backbone interact. energy: -2.119 local terms energy: -778.216127 where: bonds (distance) C4'-P energy: -137.043 bonds (distance) P-C4' energy: -140.206 flat angles C4'-P-C4' energy: -162.288 flat angles P-C4'-P energy: -109.190 tors. eta vs tors. theta energy: -229.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2428.523593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.523593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.523593 (E_RNA) where: Base-Base interactions energy: -1688.707 where: short stacking energy: -693.904 Base-Backbone interact. energy: -3.543 local terms energy: -736.273822 where: bonds (distance) C4'-P energy: -124.406 bonds (distance) P-C4' energy: -141.174 flat angles C4'-P-C4' energy: -156.748 flat angles P-C4'-P energy: -105.378 tors. eta vs tors. theta energy: -208.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2234.792884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.792884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.792884 (E_RNA) where: Base-Base interactions energy: -1548.077 where: short stacking energy: -663.244 Base-Backbone interact. energy: -4.139 local terms energy: -682.577171 where: bonds (distance) C4'-P energy: -91.210 bonds (distance) P-C4' energy: -130.615 flat angles C4'-P-C4' energy: -159.164 flat angles P-C4'-P energy: -113.929 tors. eta vs tors. theta energy: -187.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1947.900269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.900269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.900269 (E_RNA) where: Base-Base interactions energy: -1295.402 where: short stacking energy: -528.112 Base-Backbone interact. energy: -4.796 local terms energy: -647.702338 where: bonds (distance) C4'-P energy: -123.143 bonds (distance) P-C4' energy: -138.801 flat angles C4'-P-C4' energy: -155.599 flat angles P-C4'-P energy: -88.288 tors. eta vs tors. theta energy: -141.872 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: 6, replica: 10 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1857.221121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.221121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.221121 (E_RNA) where: Base-Base interactions energy: -1230.077 where: short stacking energy: -538.662 Base-Backbone interact. energy: -2.385 local terms energy: -624.759357 where: bonds (distance) C4'-P energy: -131.858 bonds (distance) P-C4' energy: -131.545 flat angles C4'-P-C4' energy: -126.644 flat angles P-C4'-P energy: -94.525 tors. eta vs tors. theta energy: -140.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1792.827785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.827785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.827785 (E_RNA) where: Base-Base interactions energy: -1174.769 where: short stacking energy: -492.645 Base-Backbone interact. energy: 0.904 local terms energy: -618.963090 where: bonds (distance) C4'-P energy: -137.569 bonds (distance) P-C4' energy: -124.200 flat angles C4'-P-C4' energy: -140.807 flat angles P-C4'-P energy: -95.041 tors. eta vs tors. theta energy: -121.347 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: 191 Temperature: 1.250000 Total energy: -1435.117566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.117566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.117566 (E_RNA) where: Base-Base interactions energy: -919.979 where: short stacking energy: -418.349 Base-Backbone interact. energy: 2.703 local terms energy: -517.841030 where: bonds (distance) C4'-P energy: -111.974 bonds (distance) P-C4' energy: -130.095 flat angles C4'-P-C4' energy: -120.421 flat angles P-C4'-P energy: -80.065 tors. eta vs tors. theta energy: -75.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1014.524609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.524609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.524609 (E_RNA) where: Base-Base interactions energy: -569.524 where: short stacking energy: -293.524 Base-Backbone interact. energy: -1.479 local terms energy: -443.521641 where: bonds (distance) C4'-P energy: -111.494 bonds (distance) P-C4' energy: -109.236 flat angles C4'-P-C4' energy: -125.171 flat angles P-C4'-P energy: -63.951 tors. eta vs tors. theta energy: -33.669 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: 10, replica: 9 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -842.780067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.780067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.780067 (E_RNA) where: Base-Base interactions energy: -435.100 where: short stacking energy: -260.543 Base-Backbone interact. energy: 0.241 local terms energy: -407.920966 where: bonds (distance) C4'-P energy: -118.453 bonds (distance) P-C4' energy: -99.287 flat angles C4'-P-C4' energy: -101.056 flat angles P-C4'-P energy: -70.677 tors. eta vs tors. theta energy: -18.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2604.516521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.516521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.516521 (E_RNA) where: Base-Base interactions energy: -1782.069 where: short stacking energy: -809.534 Base-Backbone interact. energy: -0.909 local terms energy: -821.539198 where: bonds (distance) C4'-P energy: -154.038 bonds (distance) P-C4' energy: -145.267 flat angles C4'-P-C4' energy: -159.700 flat angles P-C4'-P energy: -132.504 tors. eta vs tors. theta energy: -230.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2479.717174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.717174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.717174 (E_RNA) where: Base-Base interactions energy: -1647.495 where: short stacking energy: -741.963 Base-Backbone interact. energy: -0.249 local terms energy: -831.972900 where: bonds (distance) C4'-P energy: -163.703 bonds (distance) P-C4' energy: -154.707 flat angles C4'-P-C4' energy: -173.768 flat angles P-C4'-P energy: -113.634 tors. eta vs tors. theta energy: -226.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2449.809579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.809579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.809579 (E_RNA) where: Base-Base interactions energy: -1690.246 where: short stacking energy: -714.768 Base-Backbone interact. energy: 0.250 local terms energy: -759.813419 where: bonds (distance) C4'-P energy: -148.229 bonds (distance) P-C4' energy: -145.476 flat angles C4'-P-C4' energy: -165.588 flat angles P-C4'-P energy: -107.928 tors. eta vs tors. theta energy: -192.591 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: 7 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2202.582799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.582799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.582799 (E_RNA) where: Base-Base interactions energy: -1497.921 where: short stacking energy: -665.013 Base-Backbone interact. energy: -2.191 local terms energy: -702.470702 where: bonds (distance) C4'-P energy: -109.643 bonds (distance) P-C4' energy: -155.262 flat angles C4'-P-C4' energy: -158.399 flat angles P-C4'-P energy: -102.808 tors. eta vs tors. theta energy: -176.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2022.066009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.066009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.066009 (E_RNA) where: Base-Base interactions energy: -1386.818 where: short stacking energy: -605.424 Base-Backbone interact. energy: 1.191 local terms energy: -636.438914 where: bonds (distance) C4'-P energy: -112.444 bonds (distance) P-C4' energy: -130.105 flat angles C4'-P-C4' energy: -154.565 flat angles P-C4'-P energy: -82.454 tors. eta vs tors. theta energy: -156.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1890.706194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.706194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.706194 (E_RNA) where: Base-Base interactions energy: -1261.985 where: short stacking energy: -568.379 Base-Backbone interact. energy: -0.952 local terms energy: -627.769233 where: bonds (distance) C4'-P energy: -127.062 bonds (distance) P-C4' energy: -127.997 flat angles C4'-P-C4' energy: -129.168 flat angles P-C4'-P energy: -103.549 tors. eta vs tors. theta energy: -139.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1675.192898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.192898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.192898 (E_RNA) where: Base-Base interactions energy: -1125.138 where: short stacking energy: -496.439 Base-Backbone interact. energy: -0.613 local terms energy: -549.441767 where: bonds (distance) C4'-P energy: -115.492 bonds (distance) P-C4' energy: -147.468 flat angles C4'-P-C4' energy: -115.796 flat angles P-C4'-P energy: -70.259 tors. eta vs tors. theta energy: -100.426 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: 6 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1519.910769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.910769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.910769 (E_RNA) where: Base-Base interactions energy: -948.019 where: short stacking energy: -418.788 Base-Backbone interact. energy: 0.155 local terms energy: -572.046220 where: bonds (distance) C4'-P energy: -126.633 bonds (distance) P-C4' energy: -133.038 flat angles C4'-P-C4' energy: -133.030 flat angles P-C4'-P energy: -95.102 tors. eta vs tors. theta energy: -84.242 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: 9, replica: 5 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1046.660194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.660194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.660194 (E_RNA) where: Base-Base interactions energy: -596.146 where: short stacking energy: -318.004 Base-Backbone interact. energy: 2.543 local terms energy: -453.056681 where: bonds (distance) C4'-P energy: -119.265 bonds (distance) P-C4' energy: -144.484 flat angles C4'-P-C4' energy: -100.025 flat angles P-C4'-P energy: -58.047 tors. eta vs tors. theta energy: -31.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -785.894095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.894095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.894095 (E_RNA) where: Base-Base interactions energy: -389.975 where: short stacking energy: -219.958 Base-Backbone interact. energy: 1.989 local terms energy: -397.908539 where: bonds (distance) C4'-P energy: -114.640 bonds (distance) P-C4' energy: -118.234 flat angles C4'-P-C4' energy: -93.979 flat angles P-C4'-P energy: -59.464 tors. eta vs tors. theta energy: -11.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2611.701268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.701268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.701268 (E_RNA) where: Base-Base interactions energy: -1774.906 where: short stacking energy: -812.176 Base-Backbone interact. energy: -6.053 local terms energy: -830.742848 where: bonds (distance) C4'-P energy: -151.249 bonds (distance) P-C4' energy: -148.753 flat angles C4'-P-C4' energy: -163.361 flat angles P-C4'-P energy: -123.151 tors. eta vs tors. theta energy: -244.229 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: 8 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2456.336654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.336654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.336654 (E_RNA) where: Base-Base interactions energy: -1662.261 where: short stacking energy: -735.281 Base-Backbone interact. energy: -1.581 local terms energy: -792.494978 where: bonds (distance) C4'-P energy: -134.714 bonds (distance) P-C4' energy: -155.878 flat angles C4'-P-C4' energy: -177.625 flat angles P-C4'-P energy: -100.075 tors. eta vs tors. theta energy: -224.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2419.348156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.348156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.348156 (E_RNA) where: Base-Base interactions energy: -1679.407 where: short stacking energy: -696.941 Base-Backbone interact. energy: -5.450 local terms energy: -734.491403 where: bonds (distance) C4'-P energy: -148.905 bonds (distance) P-C4' energy: -141.840 flat angles C4'-P-C4' energy: -154.704 flat angles P-C4'-P energy: -91.021 tors. eta vs tors. theta energy: -198.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2206.054419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.054419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.054419 (E_RNA) where: Base-Base interactions energy: -1517.894 where: short stacking energy: -645.773 Base-Backbone interact. energy: -1.699 local terms energy: -686.461196 where: bonds (distance) C4'-P energy: -137.257 bonds (distance) P-C4' energy: -130.582 flat angles C4'-P-C4' energy: -140.532 flat angles P-C4'-P energy: -102.506 tors. eta vs tors. theta energy: -175.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2039.750803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.750803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.750803 (E_RNA) where: Base-Base interactions energy: -1377.895 where: short stacking energy: -603.570 Base-Backbone interact. energy: -3.994 local terms energy: -657.862378 where: bonds (distance) C4'-P energy: -120.968 bonds (distance) P-C4' energy: -133.510 flat angles C4'-P-C4' energy: -151.324 flat angles P-C4'-P energy: -92.946 tors. eta vs tors. theta energy: -159.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1915.830250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.830250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.830250 (E_RNA) where: Base-Base interactions energy: -1244.703 where: short stacking energy: -554.800 Base-Backbone interact. energy: -2.071 local terms energy: -669.056366 where: bonds (distance) C4'-P energy: -134.439 bonds (distance) P-C4' energy: -144.271 flat angles C4'-P-C4' energy: -140.953 flat angles P-C4'-P energy: -107.866 tors. eta vs tors. theta energy: -141.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1747.041881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.041881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.041881 (E_RNA) where: Base-Base interactions energy: -1180.465 where: short stacking energy: -492.303 Base-Backbone interact. energy: -3.246 local terms energy: -563.330309 where: bonds (distance) C4'-P energy: -114.046 bonds (distance) P-C4' energy: -129.013 flat angles C4'-P-C4' energy: -134.630 flat angles P-C4'-P energy: -67.291 tors. eta vs tors. theta energy: -118.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1476.925334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.925334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.925334 (E_RNA) where: Base-Base interactions energy: -951.285 where: short stacking energy: -440.567 Base-Backbone interact. energy: 4.497 local terms energy: -530.137647 where: bonds (distance) C4'-P energy: -125.072 bonds (distance) P-C4' energy: -102.854 flat angles C4'-P-C4' energy: -124.724 flat angles P-C4'-P energy: -97.401 tors. eta vs tors. theta energy: -80.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1114.629079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.629079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.629079 (E_RNA) where: Base-Base interactions energy: -633.640 where: short stacking energy: -311.828 Base-Backbone interact. energy: -1.207 local terms energy: -479.782526 where: bonds (distance) C4'-P energy: -134.623 bonds (distance) P-C4' energy: -108.409 flat angles C4'-P-C4' energy: -120.033 flat angles P-C4'-P energy: -79.381 tors. eta vs tors. theta energy: -37.337 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: 9 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -820.990264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.990264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.990264 (E_RNA) where: Base-Base interactions energy: -396.150 where: short stacking energy: -208.957 Base-Backbone interact. energy: -4.479 local terms energy: -420.361340 where: bonds (distance) C4'-P energy: -138.007 bonds (distance) P-C4' energy: -129.115 flat angles C4'-P-C4' energy: -106.940 flat angles P-C4'-P energy: -61.137 tors. eta vs tors. theta energy: 14.838 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: 4 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2635.173948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.173948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.173948 (E_RNA) where: Base-Base interactions energy: -1808.970 where: short stacking energy: -808.729 Base-Backbone interact. energy: -2.830 local terms energy: -823.374133 where: bonds (distance) C4'-P energy: -143.141 bonds (distance) P-C4' energy: -156.313 flat angles C4'-P-C4' energy: -178.625 flat angles P-C4'-P energy: -112.436 tors. eta vs tors. theta energy: -232.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2478.401787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.401787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.401787 (E_RNA) where: Base-Base interactions energy: -1685.223 where: short stacking energy: -756.080 Base-Backbone interact. energy: -2.626 local terms energy: -790.553005 where: bonds (distance) C4'-P energy: -143.450 bonds (distance) P-C4' energy: -149.552 flat angles C4'-P-C4' energy: -162.406 flat angles P-C4'-P energy: -114.012 tors. eta vs tors. theta energy: -221.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2445.142323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.142323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.142323 (E_RNA) where: Base-Base interactions energy: -1663.551 where: short stacking energy: -688.663 Base-Backbone interact. energy: -0.833 local terms energy: -780.757662 where: bonds (distance) C4'-P energy: -152.815 bonds (distance) P-C4' energy: -145.521 flat angles C4'-P-C4' energy: -170.526 flat angles P-C4'-P energy: -108.421 tors. eta vs tors. theta energy: -203.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2260.811407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.811407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.811407 (E_RNA) where: Base-Base interactions energy: -1552.719 where: short stacking energy: -693.567 Base-Backbone interact. energy: -1.225 local terms energy: -706.868095 where: bonds (distance) C4'-P energy: -127.928 bonds (distance) P-C4' energy: -131.045 flat angles C4'-P-C4' energy: -167.708 flat angles P-C4'-P energy: -102.421 tors. eta vs tors. theta energy: -177.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2018.007320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.007320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.007320 (E_RNA) where: Base-Base interactions energy: -1361.321 where: short stacking energy: -579.599 Base-Backbone interact. energy: -1.246 local terms energy: -655.440682 where: bonds (distance) C4'-P energy: -135.924 bonds (distance) P-C4' energy: -140.898 flat angles C4'-P-C4' energy: -143.158 flat angles P-C4'-P energy: -97.999 tors. eta vs tors. theta energy: -137.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1864.223611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.223611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.223611 (E_RNA) where: Base-Base interactions energy: -1243.463 where: short stacking energy: -570.510 Base-Backbone interact. energy: -1.958 local terms energy: -618.803000 where: bonds (distance) C4'-P energy: -111.374 bonds (distance) P-C4' energy: -121.605 flat angles C4'-P-C4' energy: -142.703 flat angles P-C4'-P energy: -97.412 tors. eta vs tors. theta energy: -145.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1713.667973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.667973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.667973 (E_RNA) where: Base-Base interactions energy: -1138.495 where: short stacking energy: -494.220 Base-Backbone interact. energy: -2.336 local terms energy: -572.837368 where: bonds (distance) C4'-P energy: -109.833 bonds (distance) P-C4' energy: -123.000 flat angles C4'-P-C4' energy: -139.014 flat angles P-C4'-P energy: -85.872 tors. eta vs tors. theta energy: -115.118 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: 6 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1384.122780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.122780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.122780 (E_RNA) where: Base-Base interactions energy: -875.421 where: short stacking energy: -390.800 Base-Backbone interact. energy: -3.413 local terms energy: -505.289436 where: bonds (distance) C4'-P energy: -116.957 bonds (distance) P-C4' energy: -122.196 flat angles C4'-P-C4' energy: -120.380 flat angles P-C4'-P energy: -74.440 tors. eta vs tors. theta energy: -71.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1135.325534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.325534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.325534 (E_RNA) where: Base-Base interactions energy: -670.632 where: short stacking energy: -316.004 Base-Backbone interact. energy: -0.396 local terms energy: -464.297064 where: bonds (distance) C4'-P energy: -101.505 bonds (distance) P-C4' energy: -136.587 flat angles C4'-P-C4' energy: -123.575 flat angles P-C4'-P energy: -70.579 tors. eta vs tors. theta energy: -32.052 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: 10, replica: 9 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -821.415055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.415055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.415055 (E_RNA) where: Base-Base interactions energy: -408.271 where: short stacking energy: -235.658 Base-Backbone interact. energy: -0.779 local terms energy: -412.364764 where: bonds (distance) C4'-P energy: -115.995 bonds (distance) P-C4' energy: -118.194 flat angles C4'-P-C4' energy: -98.473 flat angles P-C4'-P energy: -63.456 tors. eta vs tors. theta energy: -16.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2615.867791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.867791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.867791 (E_RNA) where: Base-Base interactions energy: -1791.401 where: short stacking energy: -789.981 Base-Backbone interact. energy: -2.549 local terms energy: -821.917514 where: bonds (distance) C4'-P energy: -141.611 bonds (distance) P-C4' energy: -153.784 flat angles C4'-P-C4' energy: -174.831 flat angles P-C4'-P energy: -109.359 tors. eta vs tors. theta energy: -242.333 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: 8 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2460.634286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.634286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.634286 (E_RNA) where: Base-Base interactions energy: -1673.102 where: short stacking energy: -740.278 Base-Backbone interact. energy: -0.737 local terms energy: -786.795567 where: bonds (distance) C4'-P energy: -125.449 bonds (distance) P-C4' energy: -151.662 flat angles C4'-P-C4' energy: -165.883 flat angles P-C4'-P energy: -119.413 tors. eta vs tors. theta energy: -224.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2436.356655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.356655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.356655 (E_RNA) where: Base-Base interactions energy: -1677.986 where: short stacking energy: -703.788 Base-Backbone interact. energy: -4.126 local terms energy: -754.244009 where: bonds (distance) C4'-P energy: -145.555 bonds (distance) P-C4' energy: -131.744 flat angles C4'-P-C4' energy: -169.127 flat angles P-C4'-P energy: -99.042 tors. eta vs tors. theta energy: -208.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2235.240305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.240305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.240305 (E_RNA) where: Base-Base interactions energy: -1521.453 where: short stacking energy: -673.112 Base-Backbone interact. energy: -0.465 local terms energy: -713.322306 where: bonds (distance) C4'-P energy: -139.661 bonds (distance) P-C4' energy: -127.790 flat angles C4'-P-C4' energy: -147.880 flat angles P-C4'-P energy: -103.308 tors. eta vs tors. theta energy: -194.682 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: 3 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2103.065912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.065912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.065912 (E_RNA) where: Base-Base interactions energy: -1433.327 where: short stacking energy: -602.212 Base-Backbone interact. energy: -0.806 local terms energy: -668.933385 where: bonds (distance) C4'-P energy: -125.390 bonds (distance) P-C4' energy: -126.731 flat angles C4'-P-C4' energy: -147.551 flat angles P-C4'-P energy: -106.543 tors. eta vs tors. theta energy: -162.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1884.459789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.459789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.459789 (E_RNA) where: Base-Base interactions energy: -1239.562 where: short stacking energy: -569.710 Base-Backbone interact. energy: -0.104 local terms energy: -644.794484 where: bonds (distance) C4'-P energy: -117.483 bonds (distance) P-C4' energy: -142.229 flat angles C4'-P-C4' energy: -147.126 flat angles P-C4'-P energy: -77.323 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: 7, replica: 2 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1690.056939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.056939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.056939 (E_RNA) where: Base-Base interactions energy: -1094.901 where: short stacking energy: -468.514 Base-Backbone interact. energy: 3.822 local terms energy: -598.977992 where: bonds (distance) C4'-P energy: -116.864 bonds (distance) P-C4' energy: -147.981 flat angles C4'-P-C4' energy: -131.007 flat angles P-C4'-P energy: -89.419 tors. eta vs tors. theta energy: -113.706 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: 8, replica: 6 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1335.910238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.910238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.910238 (E_RNA) where: Base-Base interactions energy: -835.122 where: short stacking energy: -372.353 Base-Backbone interact. energy: -0.145 local terms energy: -500.643225 where: bonds (distance) C4'-P energy: -123.111 bonds (distance) P-C4' energy: -129.425 flat angles C4'-P-C4' energy: -113.810 flat angles P-C4'-P energy: -79.048 tors. eta vs tors. theta energy: -55.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1168.605721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.605721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.605721 (E_RNA) where: Base-Base interactions energy: -696.220 where: short stacking energy: -325.058 Base-Backbone interact. energy: 5.965 local terms energy: -478.350640 where: bonds (distance) C4'-P energy: -114.414 bonds (distance) P-C4' energy: -120.110 flat angles C4'-P-C4' energy: -130.862 flat angles P-C4'-P energy: -67.998 tors. eta vs tors. theta energy: -44.967 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: 9 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -796.650518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.650518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.650518 (E_RNA) where: Base-Base interactions energy: -411.054 where: short stacking energy: -212.389 Base-Backbone interact. energy: -3.400 local terms energy: -382.196383 where: bonds (distance) C4'-P energy: -95.719 bonds (distance) P-C4' energy: -128.035 flat angles C4'-P-C4' energy: -119.803 flat angles P-C4'-P energy: -48.339 tors. eta vs tors. theta energy: 9.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2612.819852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.819852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.819852 (E_RNA) where: Base-Base interactions energy: -1793.007 where: short stacking energy: -814.994 Base-Backbone interact. energy: -1.815 local terms energy: -817.998429 where: bonds (distance) C4'-P energy: -146.725 bonds (distance) P-C4' energy: -139.735 flat angles C4'-P-C4' energy: -167.012 flat angles P-C4'-P energy: -117.767 tors. eta vs tors. theta energy: -246.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2492.072890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.072890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.072890 (E_RNA) where: Base-Base interactions energy: -1726.554 where: short stacking energy: -752.436 Base-Backbone interact. energy: -2.060 local terms energy: -763.458872 where: bonds (distance) C4'-P energy: -148.047 bonds (distance) P-C4' energy: -134.877 flat angles C4'-P-C4' energy: -157.124 flat angles P-C4'-P energy: -108.457 tors. eta vs tors. theta energy: -214.954 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: 3, replica: 1 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2443.214408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.214408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.214408 (E_RNA) where: Base-Base interactions energy: -1672.279 where: short stacking energy: -704.855 Base-Backbone interact. energy: -2.272 local terms energy: -768.663019 where: bonds (distance) C4'-P energy: -144.724 bonds (distance) P-C4' energy: -148.529 flat angles C4'-P-C4' energy: -170.065 flat angles P-C4'-P energy: -108.025 tors. eta vs tors. theta energy: -197.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2261.582256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.582256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.582256 (E_RNA) where: Base-Base interactions energy: -1548.049 where: short stacking energy: -683.121 Base-Backbone interact. energy: -2.282 local terms energy: -711.251704 where: bonds (distance) C4'-P energy: -131.834 bonds (distance) P-C4' energy: -124.272 flat angles C4'-P-C4' energy: -153.836 flat angles P-C4'-P energy: -107.981 tors. eta vs tors. theta energy: -193.329 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: 3 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2088.558215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.558215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.558215 (E_RNA) where: Base-Base interactions energy: -1406.493 where: short stacking energy: -589.595 Base-Backbone interact. energy: 1.328 local terms energy: -683.393687 where: bonds (distance) C4'-P energy: -132.243 bonds (distance) P-C4' energy: -141.918 flat angles C4'-P-C4' energy: -147.187 flat angles P-C4'-P energy: -106.062 tors. eta vs tors. theta energy: -155.984 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: 10 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1836.823326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.823326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.823326 (E_RNA) where: Base-Base interactions energy: -1216.562 where: short stacking energy: -552.346 Base-Backbone interact. energy: -0.589 local terms energy: -619.671711 where: bonds (distance) C4'-P energy: -116.322 bonds (distance) P-C4' energy: -140.270 flat angles C4'-P-C4' energy: -131.931 flat angles P-C4'-P energy: -80.989 tors. eta vs tors. theta energy: -150.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1715.400596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.400596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.400596 (E_RNA) where: Base-Base interactions energy: -1131.984 where: short stacking energy: -499.953 Base-Backbone interact. energy: -1.442 local terms energy: -581.974114 where: bonds (distance) C4'-P energy: -114.285 bonds (distance) P-C4' energy: -138.820 flat angles C4'-P-C4' energy: -127.152 flat angles P-C4'-P energy: -74.811 tors. eta vs tors. theta energy: -126.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1294.463035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.463035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.463035 (E_RNA) where: Base-Base interactions energy: -794.018 where: short stacking energy: -359.524 Base-Backbone interact. energy: -2.520 local terms energy: -497.924985 where: bonds (distance) C4'-P energy: -126.260 bonds (distance) P-C4' energy: -101.605 flat angles C4'-P-C4' energy: -129.994 flat angles P-C4'-P energy: -70.338 tors. eta vs tors. theta energy: -69.728 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: 9, replica: 5 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1174.609099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.609099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.609099 (E_RNA) where: Base-Base interactions energy: -704.182 where: short stacking energy: -330.408 Base-Backbone interact. energy: -1.631 local terms energy: -468.796307 where: bonds (distance) C4'-P energy: -132.441 bonds (distance) P-C4' energy: -124.235 flat angles C4'-P-C4' energy: -112.035 flat angles P-C4'-P energy: -66.504 tors. eta vs tors. theta energy: -33.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -784.078120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.078120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.078120 (E_RNA) where: Base-Base interactions energy: -378.146 where: short stacking energy: -228.995 Base-Backbone interact. energy: 0.127 local terms energy: -406.059135 where: bonds (distance) C4'-P energy: -124.207 bonds (distance) P-C4' energy: -125.606 flat angles C4'-P-C4' energy: -98.010 flat angles P-C4'-P energy: -61.262 tors. eta vs tors. theta energy: 3.024 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: 4 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2644.280016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.280016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.280016 (E_RNA) where: Base-Base interactions energy: -1806.147 where: short stacking energy: -783.269 Base-Backbone interact. energy: -3.722 local terms energy: -834.410588 where: bonds (distance) C4'-P energy: -151.654 bonds (distance) P-C4' energy: -158.604 flat angles C4'-P-C4' energy: -169.228 flat angles P-C4'-P energy: -119.045 tors. eta vs tors. theta energy: -235.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2473.528111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.528111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.528111 (E_RNA) where: Base-Base interactions energy: -1666.795 where: short stacking energy: -737.846 Base-Backbone interact. energy: -2.668 local terms energy: -804.065163 where: bonds (distance) C4'-P energy: -151.526 bonds (distance) P-C4' energy: -156.448 flat angles C4'-P-C4' energy: -160.754 flat angles P-C4'-P energy: -116.598 tors. eta vs tors. theta energy: -218.739 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: 1 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2431.110996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.110996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.110996 (E_RNA) where: Base-Base interactions energy: -1695.082 where: short stacking energy: -693.478 Base-Backbone interact. energy: -2.567 local terms energy: -733.462219 where: bonds (distance) C4'-P energy: -115.296 bonds (distance) P-C4' energy: -143.198 flat angles C4'-P-C4' energy: -167.287 flat angles P-C4'-P energy: -103.882 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: 4, replica: 7 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2246.707218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.707218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.707218 (E_RNA) where: Base-Base interactions energy: -1535.882 where: short stacking energy: -669.490 Base-Backbone interact. energy: -0.822 local terms energy: -710.002851 where: bonds (distance) C4'-P energy: -126.796 bonds (distance) P-C4' energy: -135.614 flat angles C4'-P-C4' energy: -156.770 flat angles P-C4'-P energy: -104.650 tors. eta vs tors. theta energy: -186.172 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: 3 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2041.325159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.325159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.325159 (E_RNA) where: Base-Base interactions energy: -1397.273 where: short stacking energy: -609.642 Base-Backbone interact. energy: 1.574 local terms energy: -645.626115 where: bonds (distance) C4'-P energy: -120.375 bonds (distance) P-C4' energy: -130.031 flat angles C4'-P-C4' energy: -141.936 flat angles P-C4'-P energy: -92.804 tors. eta vs tors. theta energy: -160.480 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: 197 Temperature: 1.150000 Total energy: -1792.957710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.957710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.957710 (E_RNA) where: Base-Base interactions energy: -1167.311 where: short stacking energy: -497.761 Base-Backbone interact. energy: 2.416 local terms energy: -628.062053 where: bonds (distance) C4'-P energy: -135.688 bonds (distance) P-C4' energy: -152.011 flat angles C4'-P-C4' energy: -141.997 flat angles P-C4'-P energy: -86.641 tors. eta vs tors. theta energy: -111.726 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: 7, replica: 10 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1739.301688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.301688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.301688 (E_RNA) where: Base-Base interactions energy: -1144.859 where: short stacking energy: -484.459 Base-Backbone interact. energy: 0.447 local terms energy: -594.889540 where: bonds (distance) C4'-P energy: -123.477 bonds (distance) P-C4' energy: -137.344 flat angles C4'-P-C4' energy: -137.010 flat angles P-C4'-P energy: -86.208 tors. eta vs tors. theta energy: -110.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1351.138510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.138510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.138510 (E_RNA) where: Base-Base interactions energy: -866.125 where: short stacking energy: -372.713 Base-Backbone interact. energy: 4.283 local terms energy: -489.296508 where: bonds (distance) C4'-P energy: -120.949 bonds (distance) P-C4' energy: -121.394 flat angles C4'-P-C4' energy: -130.689 flat angles P-C4'-P energy: -61.492 tors. eta vs tors. theta energy: -54.773 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: 5 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1198.801639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.801639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.801639 (E_RNA) where: Base-Base interactions energy: -739.317 where: short stacking energy: -349.301 Base-Backbone interact. energy: 2.360 local terms energy: -461.844850 where: bonds (distance) C4'-P energy: -101.883 bonds (distance) P-C4' energy: -118.176 flat angles C4'-P-C4' energy: -117.613 flat angles P-C4'-P energy: -84.008 tors. eta vs tors. theta energy: -40.166 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: 9 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -738.717693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.717693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.717693 (E_RNA) where: Base-Base interactions energy: -300.290 where: short stacking energy: -185.807 Base-Backbone interact. energy: 1.153 local terms energy: -439.580726 where: bonds (distance) C4'-P energy: -105.882 bonds (distance) P-C4' energy: -140.130 flat angles C4'-P-C4' energy: -126.372 flat angles P-C4'-P energy: -74.847 tors. eta vs tors. theta energy: 7.650 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: 1, replica: 4 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2617.735437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.735437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.735437 (E_RNA) where: Base-Base interactions energy: -1817.476 where: short stacking energy: -770.854 Base-Backbone interact. energy: -3.463 local terms energy: -796.797008 where: bonds (distance) C4'-P energy: -143.788 bonds (distance) P-C4' energy: -153.471 flat angles C4'-P-C4' energy: -160.303 flat angles P-C4'-P energy: -112.767 tors. eta vs tors. theta energy: -226.468 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: 8 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2502.993369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.993369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.993369 (E_RNA) where: Base-Base interactions energy: -1706.992 where: short stacking energy: -759.642 Base-Backbone interact. energy: 0.105 local terms energy: -796.105832 where: bonds (distance) C4'-P energy: -158.123 bonds (distance) P-C4' energy: -138.491 flat angles C4'-P-C4' energy: -164.543 flat angles P-C4'-P energy: -105.818 tors. eta vs tors. theta energy: -229.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2414.120749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.120749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.120749 (E_RNA) where: Base-Base interactions energy: -1659.902 where: short stacking energy: -699.324 Base-Backbone interact. energy: 2.291 local terms energy: -756.510157 where: bonds (distance) C4'-P energy: -145.291 bonds (distance) P-C4' energy: -146.710 flat angles C4'-P-C4' energy: -172.019 flat angles P-C4'-P energy: -99.499 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: 4, replica: 7 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2262.239430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.239430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.239430 (E_RNA) where: Base-Base interactions energy: -1537.684 where: short stacking energy: -679.325 Base-Backbone interact. energy: 2.058 local terms energy: -726.613255 where: bonds (distance) C4'-P energy: -138.091 bonds (distance) P-C4' energy: -139.794 flat angles C4'-P-C4' energy: -150.782 flat angles P-C4'-P energy: -102.066 tors. eta vs tors. theta energy: -195.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2085.671358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.671358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.671358 (E_RNA) where: Base-Base interactions energy: -1446.214 where: short stacking energy: -602.955 Base-Backbone interact. energy: -5.614 local terms energy: -633.843185 where: bonds (distance) C4'-P energy: -108.837 bonds (distance) P-C4' energy: -131.352 flat angles C4'-P-C4' energy: -145.777 flat angles P-C4'-P energy: -79.310 tors. eta vs tors. theta energy: -168.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1819.484709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.484709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.484709 (E_RNA) where: Base-Base interactions energy: -1228.672 where: short stacking energy: -537.880 Base-Backbone interact. energy: 0.602 local terms energy: -591.414731 where: bonds (distance) C4'-P energy: -115.082 bonds (distance) P-C4' energy: -131.261 flat angles C4'-P-C4' energy: -138.884 flat angles P-C4'-P energy: -75.632 tors. eta vs tors. theta energy: -130.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1729.465143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.465143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.465143 (E_RNA) where: Base-Base interactions energy: -1129.990 where: short stacking energy: -526.514 Base-Backbone interact. energy: 1.100 local terms energy: -600.574864 where: bonds (distance) C4'-P energy: -123.363 bonds (distance) P-C4' energy: -118.122 flat angles C4'-P-C4' energy: -137.344 flat angles P-C4'-P energy: -85.562 tors. eta vs tors. theta energy: -136.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1317.780356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.780356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.780356 (E_RNA) where: Base-Base interactions energy: -810.258 where: short stacking energy: -379.429 Base-Backbone interact. energy: -1.622 local terms energy: -505.900923 where: bonds (distance) C4'-P energy: -136.533 bonds (distance) P-C4' energy: -112.725 flat angles C4'-P-C4' energy: -143.128 flat angles P-C4'-P energy: -61.003 tors. eta vs tors. theta energy: -52.513 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: 5 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1244.236211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.236211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.236211 (E_RNA) where: Base-Base interactions energy: -751.972 where: short stacking energy: -333.369 Base-Backbone interact. energy: -1.157 local terms energy: -491.107276 where: bonds (distance) C4'-P energy: -121.506 bonds (distance) P-C4' energy: -114.183 flat angles C4'-P-C4' energy: -117.686 flat angles P-C4'-P energy: -91.199 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: 9 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -681.357299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.357299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.357299 (E_RNA) where: Base-Base interactions energy: -325.433 where: short stacking energy: -216.269 Base-Backbone interact. energy: 0.624 local terms energy: -356.549128 where: bonds (distance) C4'-P energy: -96.996 bonds (distance) P-C4' energy: -124.367 flat angles C4'-P-C4' energy: -83.284 flat angles P-C4'-P energy: -59.752 tors. eta vs tors. theta energy: 7.850 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: 4 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2619.211008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.211008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.211008 (E_RNA) where: Base-Base interactions energy: -1810.086 where: short stacking energy: -807.477 Base-Backbone interact. energy: -3.440 local terms energy: -805.685437 where: bonds (distance) C4'-P energy: -145.929 bonds (distance) P-C4' energy: -139.464 flat angles C4'-P-C4' energy: -166.369 flat angles P-C4'-P energy: -112.253 tors. eta vs tors. theta energy: -241.670 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: 8 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2469.777986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.777986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.777986 (E_RNA) where: Base-Base interactions energy: -1661.074 where: short stacking energy: -754.827 Base-Backbone interact. energy: -1.349 local terms energy: -807.354991 where: bonds (distance) C4'-P energy: -150.344 bonds (distance) P-C4' energy: -154.865 flat angles C4'-P-C4' energy: -169.995 flat angles P-C4'-P energy: -109.597 tors. eta vs tors. theta energy: -222.555 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: 3, replica: 1 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2414.104172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.104172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.104172 (E_RNA) where: Base-Base interactions energy: -1684.459 where: short stacking energy: -682.815 Base-Backbone interact. energy: -3.083 local terms energy: -726.562711 where: bonds (distance) C4'-P energy: -132.725 bonds (distance) P-C4' energy: -143.666 flat angles C4'-P-C4' energy: -147.226 flat angles P-C4'-P energy: -107.506 tors. eta vs tors. theta energy: -195.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2287.792612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.792612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.792612 (E_RNA) where: Base-Base interactions energy: -1574.132 where: short stacking energy: -702.868 Base-Backbone interact. energy: -2.227 local terms energy: -711.433854 where: bonds (distance) C4'-P energy: -123.052 bonds (distance) P-C4' energy: -136.736 flat angles C4'-P-C4' energy: -156.003 flat angles P-C4'-P energy: -99.011 tors. eta vs tors. theta energy: -196.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2112.482491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.482491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.482491 (E_RNA) where: Base-Base interactions energy: -1428.605 where: short stacking energy: -574.570 Base-Backbone interact. energy: -7.141 local terms energy: -676.737125 where: bonds (distance) C4'-P energy: -136.954 bonds (distance) P-C4' energy: -131.093 flat angles C4'-P-C4' energy: -135.311 flat angles P-C4'-P energy: -108.304 tors. eta vs tors. theta energy: -165.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1880.529632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.529632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.529632 (E_RNA) where: Base-Base interactions energy: -1229.224 where: short stacking energy: -536.756 Base-Backbone interact. energy: 0.917 local terms energy: -652.223440 where: bonds (distance) C4'-P energy: -104.581 bonds (distance) P-C4' energy: -152.804 flat angles C4'-P-C4' energy: -142.683 flat angles P-C4'-P energy: -96.089 tors. eta vs tors. theta energy: -156.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1742.156156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.156156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.156156 (E_RNA) where: Base-Base interactions energy: -1129.636 where: short stacking energy: -508.160 Base-Backbone interact. energy: -2.655 local terms energy: -609.864529 where: bonds (distance) C4'-P energy: -119.974 bonds (distance) P-C4' energy: -142.162 flat angles C4'-P-C4' energy: -142.183 flat angles P-C4'-P energy: -73.061 tors. eta vs tors. theta energy: -132.485 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: 6 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1388.179099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.179099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.179099 (E_RNA) where: Base-Base interactions energy: -850.371 where: short stacking energy: -361.036 Base-Backbone interact. energy: 2.740 local terms energy: -540.548694 where: bonds (distance) C4'-P energy: -124.338 bonds (distance) P-C4' energy: -128.516 flat angles C4'-P-C4' energy: -127.620 flat angles P-C4'-P energy: -95.567 tors. eta vs tors. theta energy: -64.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1199.312199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.312199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.312199 (E_RNA) where: Base-Base interactions energy: -733.352 where: short stacking energy: -343.876 Base-Backbone interact. energy: -0.301 local terms energy: -465.659240 where: bonds (distance) C4'-P energy: -129.812 bonds (distance) P-C4' energy: -108.064 flat angles C4'-P-C4' energy: -113.026 flat angles P-C4'-P energy: -67.467 tors. eta vs tors. theta energy: -47.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -587.008754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.008754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.008754 (E_RNA) where: Base-Base interactions energy: -235.700 where: short stacking energy: -175.776 Base-Backbone interact. energy: 0.573 local terms energy: -351.882125 where: bonds (distance) C4'-P energy: -111.240 bonds (distance) P-C4' energy: -115.567 flat angles C4'-P-C4' energy: -83.830 flat angles P-C4'-P energy: -64.531 tors. eta vs tors. theta energy: 23.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2633.656669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.656669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.656669 (E_RNA) where: Base-Base interactions energy: -1826.818 where: short stacking energy: -814.428 Base-Backbone interact. energy: -2.135 local terms energy: -804.703068 where: bonds (distance) C4'-P energy: -143.178 bonds (distance) P-C4' energy: -140.920 flat angles C4'-P-C4' energy: -163.936 flat angles P-C4'-P energy: -118.525 tors. eta vs tors. theta energy: -238.144 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: 8 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2517.169898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.169898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.169898 (E_RNA) where: Base-Base interactions energy: -1709.573 where: short stacking energy: -754.865 Base-Backbone interact. energy: -0.898 local terms energy: -806.699403 where: bonds (distance) C4'-P energy: -133.254 bonds (distance) P-C4' energy: -151.388 flat angles C4'-P-C4' energy: -166.974 flat angles P-C4'-P energy: -128.019 tors. eta vs tors. theta energy: -227.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2484.269930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.269930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.269930 (E_RNA) where: Base-Base interactions energy: -1730.332 where: short stacking energy: -722.468 Base-Backbone interact. energy: 0.457 local terms energy: -754.393969 where: bonds (distance) C4'-P energy: -129.861 bonds (distance) P-C4' energy: -155.952 flat angles C4'-P-C4' energy: -143.978 flat angles P-C4'-P energy: -123.882 tors. eta vs tors. theta energy: -200.721 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: 4, replica: 7 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2271.366585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.366585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.366585 (E_RNA) where: Base-Base interactions energy: -1569.548 where: short stacking energy: -696.181 Base-Backbone interact. energy: -0.915 local terms energy: -700.903604 where: bonds (distance) C4'-P energy: -128.840 bonds (distance) P-C4' energy: -110.100 flat angles C4'-P-C4' energy: -163.974 flat angles P-C4'-P energy: -102.999 tors. eta vs tors. theta energy: -194.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2095.063773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.063773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.063773 (E_RNA) where: Base-Base interactions energy: -1431.734 where: short stacking energy: -607.142 Base-Backbone interact. energy: -6.299 local terms energy: -657.030952 where: bonds (distance) C4'-P energy: -125.368 bonds (distance) P-C4' energy: -137.569 flat angles C4'-P-C4' energy: -149.757 flat angles P-C4'-P energy: -75.346 tors. eta vs tors. theta energy: -168.991 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: 2 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1844.143279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.143279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.143279 (E_RNA) where: Base-Base interactions energy: -1221.068 where: short stacking energy: -554.091 Base-Backbone interact. energy: -2.578 local terms energy: -620.496913 where: bonds (distance) C4'-P energy: -124.630 bonds (distance) P-C4' energy: -131.468 flat angles C4'-P-C4' energy: -144.120 flat angles P-C4'-P energy: -85.582 tors. eta vs tors. theta energy: -134.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1701.334379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.334379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.334379 (E_RNA) where: Base-Base interactions energy: -1094.722 where: short stacking energy: -519.646 Base-Backbone interact. energy: 0.506 local terms energy: -607.118877 where: bonds (distance) C4'-P energy: -123.752 bonds (distance) P-C4' energy: -131.857 flat angles C4'-P-C4' energy: -129.155 flat angles P-C4'-P energy: -92.836 tors. eta vs tors. theta energy: -129.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1400.052778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.052778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.052778 (E_RNA) where: Base-Base interactions energy: -888.725 where: short stacking energy: -409.151 Base-Backbone interact. energy: 0.016 local terms energy: -511.343357 where: bonds (distance) C4'-P energy: -117.222 bonds (distance) P-C4' energy: -123.829 flat angles C4'-P-C4' energy: -128.374 flat angles P-C4'-P energy: -66.452 tors. eta vs tors. theta energy: -75.467 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: 5 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1257.837430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.837430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.837430 (E_RNA) where: Base-Base interactions energy: -802.053 where: short stacking energy: -355.209 Base-Backbone interact. energy: -0.651 local terms energy: -455.132855 where: bonds (distance) C4'-P energy: -113.809 bonds (distance) P-C4' energy: -126.733 flat angles C4'-P-C4' energy: -116.202 flat angles P-C4'-P energy: -53.553 tors. eta vs tors. theta energy: -44.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -621.308572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.308572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.308572 (E_RNA) where: Base-Base interactions energy: -222.965 where: short stacking energy: -177.208 Base-Backbone interact. energy: 7.038 local terms energy: -405.381744 where: bonds (distance) C4'-P energy: -108.729 bonds (distance) P-C4' energy: -141.227 flat angles C4'-P-C4' energy: -101.257 flat angles P-C4'-P energy: -76.740 tors. eta vs tors. theta energy: 22.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2609.454053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.454053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.454053 (E_RNA) where: Base-Base interactions energy: -1814.989 where: short stacking energy: -802.902 Base-Backbone interact. energy: -1.100 local terms energy: -793.364816 where: bonds (distance) C4'-P energy: -147.492 bonds (distance) P-C4' energy: -142.358 flat angles C4'-P-C4' energy: -163.759 flat angles P-C4'-P energy: -102.785 tors. eta vs tors. theta energy: -236.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2491.250242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.250242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.250242 (E_RNA) where: Base-Base interactions energy: -1734.063 where: short stacking energy: -725.820 Base-Backbone interact. energy: -1.477 local terms energy: -755.710162 where: bonds (distance) C4'-P energy: -130.218 bonds (distance) P-C4' energy: -148.322 flat angles C4'-P-C4' energy: -162.730 flat angles P-C4'-P energy: -116.534 tors. eta vs tors. theta energy: -197.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2455.013628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.013628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.013628 (E_RNA) where: Base-Base interactions energy: -1687.039 where: short stacking energy: -742.333 Base-Backbone interact. energy: -1.997 local terms energy: -765.977850 where: bonds (distance) C4'-P energy: -137.983 bonds (distance) P-C4' energy: -148.459 flat angles C4'-P-C4' energy: -157.930 flat angles P-C4'-P energy: -101.354 tors. eta vs tors. theta energy: -220.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2269.566499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.566499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.566499 (E_RNA) where: Base-Base interactions energy: -1560.657 where: short stacking energy: -685.274 Base-Backbone interact. energy: -3.323 local terms energy: -705.587073 where: bonds (distance) C4'-P energy: -120.488 bonds (distance) P-C4' energy: -129.557 flat angles C4'-P-C4' energy: -161.259 flat angles P-C4'-P energy: -93.501 tors. eta vs tors. theta energy: -200.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2101.538909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.538909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.538909 (E_RNA) where: Base-Base interactions energy: -1434.503 where: short stacking energy: -613.089 Base-Backbone interact. energy: 3.056 local terms energy: -670.092627 where: bonds (distance) C4'-P energy: -127.276 bonds (distance) P-C4' energy: -127.640 flat angles C4'-P-C4' energy: -151.480 flat angles P-C4'-P energy: -89.668 tors. eta vs tors. theta energy: -174.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1822.901710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.901710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.901710 (E_RNA) where: Base-Base interactions energy: -1214.293 where: short stacking energy: -538.473 Base-Backbone interact. energy: -0.006 local terms energy: -608.601975 where: bonds (distance) C4'-P energy: -127.344 bonds (distance) P-C4' energy: -119.231 flat angles C4'-P-C4' energy: -141.991 flat angles P-C4'-P energy: -70.003 tors. eta vs tors. theta energy: -150.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1694.834048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.834048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.834048 (E_RNA) where: Base-Base interactions energy: -1099.513 where: short stacking energy: -483.866 Base-Backbone interact. energy: -2.003 local terms energy: -593.317517 where: bonds (distance) C4'-P energy: -136.896 bonds (distance) P-C4' energy: -111.910 flat angles C4'-P-C4' energy: -149.945 flat angles P-C4'-P energy: -72.710 tors. eta vs tors. theta energy: -121.856 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: 6 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1443.954153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.954153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.954153 (E_RNA) where: Base-Base interactions energy: -951.603 where: short stacking energy: -417.098 Base-Backbone interact. energy: 1.952 local terms energy: -494.303438 where: bonds (distance) C4'-P energy: -94.735 bonds (distance) P-C4' energy: -126.817 flat angles C4'-P-C4' energy: -122.486 flat angles P-C4'-P energy: -67.650 tors. eta vs tors. theta energy: -82.616 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: 5 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1235.426549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.426549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.426549 (E_RNA) where: Base-Base interactions energy: -758.510 where: short stacking energy: -344.790 Base-Backbone interact. energy: -1.113 local terms energy: -475.803148 where: bonds (distance) C4'-P energy: -126.089 bonds (distance) P-C4' energy: -107.569 flat angles C4'-P-C4' energy: -130.726 flat angles P-C4'-P energy: -68.414 tors. eta vs tors. theta energy: -43.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -622.662895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.662895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.662895 (E_RNA) where: Base-Base interactions energy: -230.966 where: short stacking energy: -155.215 Base-Backbone interact. energy: -1.899 local terms energy: -389.797957 where: bonds (distance) C4'-P energy: -111.236 bonds (distance) P-C4' energy: -131.111 flat angles C4'-P-C4' energy: -103.277 flat angles P-C4'-P energy: -66.862 tors. eta vs tors. theta energy: 22.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2588.026417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.026417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.026417 (E_RNA) where: Base-Base interactions energy: -1747.041 where: short stacking energy: -762.029 Base-Backbone interact. energy: 0.095 local terms energy: -841.080404 where: bonds (distance) C4'-P energy: -160.684 bonds (distance) P-C4' energy: -150.526 flat angles C4'-P-C4' energy: -171.168 flat angles P-C4'-P energy: -113.188 tors. eta vs tors. theta energy: -245.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2500.700703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.700703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.700703 (E_RNA) where: Base-Base interactions energy: -1742.168 where: short stacking energy: -736.499 Base-Backbone interact. energy: -3.235 local terms energy: -755.297497 where: bonds (distance) C4'-P energy: -125.062 bonds (distance) P-C4' energy: -155.001 flat angles C4'-P-C4' energy: -158.278 flat angles P-C4'-P energy: -111.701 tors. eta vs tors. theta energy: -205.255 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: 8 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2439.919317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.919317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.919317 (E_RNA) where: Base-Base interactions energy: -1649.933 where: short stacking energy: -724.301 Base-Backbone interact. energy: -2.009 local terms energy: -787.977262 where: bonds (distance) C4'-P energy: -140.972 bonds (distance) P-C4' energy: -151.100 flat angles C4'-P-C4' energy: -168.697 flat angles P-C4'-P energy: -112.195 tors. eta vs tors. theta energy: -215.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2257.041372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.041372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.041372 (E_RNA) where: Base-Base interactions energy: -1549.297 where: short stacking energy: -686.688 Base-Backbone interact. energy: -4.636 local terms energy: -703.108580 where: bonds (distance) C4'-P energy: -113.538 bonds (distance) P-C4' energy: -154.552 flat angles C4'-P-C4' energy: -164.724 flat angles P-C4'-P energy: -85.143 tors. eta vs tors. theta energy: -185.153 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: 3 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2085.494786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.494786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.494786 (E_RNA) where: Base-Base interactions energy: -1424.713 where: short stacking energy: -619.422 Base-Backbone interact. energy: 2.223 local terms energy: -663.004475 where: bonds (distance) C4'-P energy: -138.097 bonds (distance) P-C4' energy: -135.881 flat angles C4'-P-C4' energy: -153.982 flat angles P-C4'-P energy: -74.860 tors. eta vs tors. theta energy: -160.185 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: 202 Temperature: 1.150000 Total energy: -1874.059552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.059552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.059552 (E_RNA) where: Base-Base interactions energy: -1226.295 where: short stacking energy: -527.288 Base-Backbone interact. energy: -3.389 local terms energy: -644.374854 where: bonds (distance) C4'-P energy: -140.673 bonds (distance) P-C4' energy: -127.814 flat angles C4'-P-C4' energy: -155.647 flat angles P-C4'-P energy: -86.583 tors. eta vs tors. theta energy: -133.658 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: 10 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1707.438179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.438179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.438179 (E_RNA) where: Base-Base interactions energy: -1130.195 where: short stacking energy: -506.186 Base-Backbone interact. energy: -1.813 local terms energy: -575.430434 where: bonds (distance) C4'-P energy: -119.023 bonds (distance) P-C4' energy: -132.498 flat angles C4'-P-C4' energy: -134.898 flat angles P-C4'-P energy: -78.403 tors. eta vs tors. theta energy: -110.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1478.905827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.905827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.905827 (E_RNA) where: Base-Base interactions energy: -971.628 where: short stacking energy: -422.618 Base-Backbone interact. energy: -3.094 local terms energy: -504.183555 where: bonds (distance) C4'-P energy: -105.492 bonds (distance) P-C4' energy: -121.996 flat angles C4'-P-C4' energy: -133.360 flat angles P-C4'-P energy: -76.143 tors. eta vs tors. theta energy: -67.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1239.034778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.034778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.034778 (E_RNA) where: Base-Base interactions energy: -771.024 where: short stacking energy: -387.566 Base-Backbone interact. energy: 0.422 local terms energy: -468.432761 where: bonds (distance) C4'-P energy: -116.569 bonds (distance) P-C4' energy: -105.813 flat angles C4'-P-C4' energy: -125.043 flat angles P-C4'-P energy: -63.479 tors. eta vs tors. theta energy: -57.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -666.639445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.639445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.639445 (E_RNA) where: Base-Base interactions energy: -269.341 where: short stacking energy: -198.924 Base-Backbone interact. energy: 7.920 local terms energy: -405.218658 where: bonds (distance) C4'-P energy: -124.086 bonds (distance) P-C4' energy: -137.181 flat angles C4'-P-C4' energy: -84.254 flat angles P-C4'-P energy: -65.360 tors. eta vs tors. theta energy: 5.663 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: 4 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2593.041456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.041456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.041456 (E_RNA) where: Base-Base interactions energy: -1783.848 where: short stacking energy: -773.788 Base-Backbone interact. energy: -5.490 local terms energy: -803.703752 where: bonds (distance) C4'-P energy: -145.593 bonds (distance) P-C4' energy: -142.973 flat angles C4'-P-C4' energy: -167.175 flat angles P-C4'-P energy: -116.953 tors. eta vs tors. theta energy: -231.010 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: 8 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2504.340217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.340217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.340217 (E_RNA) where: Base-Base interactions energy: -1712.099 where: short stacking energy: -756.205 Base-Backbone interact. energy: 0.043 local terms energy: -792.283963 where: bonds (distance) C4'-P energy: -140.257 bonds (distance) P-C4' energy: -157.883 flat angles C4'-P-C4' energy: -170.710 flat angles P-C4'-P energy: -103.250 tors. eta vs tors. theta energy: -220.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2444.829296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.829296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.829296 (E_RNA) where: Base-Base interactions energy: -1707.899 where: short stacking energy: -718.948 Base-Backbone interact. energy: -2.387 local terms energy: -734.543721 where: bonds (distance) C4'-P energy: -137.487 bonds (distance) P-C4' energy: -133.259 flat angles C4'-P-C4' energy: -159.386 flat angles P-C4'-P energy: -97.508 tors. eta vs tors. theta energy: -206.903 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: 203 Temperature: 1.050000 Total energy: -2237.962995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.962995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.962995 (E_RNA) where: Base-Base interactions energy: -1534.663 where: short stacking energy: -670.954 Base-Backbone interact. energy: 1.494 local terms energy: -704.794162 where: bonds (distance) C4'-P energy: -126.971 bonds (distance) P-C4' energy: -137.424 flat angles C4'-P-C4' energy: -144.617 flat angles P-C4'-P energy: -107.112 tors. eta vs tors. theta energy: -188.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2082.296351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.296351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.296351 (E_RNA) where: Base-Base interactions energy: -1419.943 where: short stacking energy: -603.658 Base-Backbone interact. energy: -0.892 local terms energy: -661.461766 where: bonds (distance) C4'-P energy: -128.133 bonds (distance) P-C4' energy: -115.582 flat angles C4'-P-C4' energy: -151.868 flat angles P-C4'-P energy: -107.828 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: 6, replica: 2 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1844.935299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.935299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.935299 (E_RNA) where: Base-Base interactions energy: -1221.012 where: short stacking energy: -519.886 Base-Backbone interact. energy: 6.284 local terms energy: -630.207116 where: bonds (distance) C4'-P energy: -132.273 bonds (distance) P-C4' energy: -138.331 flat angles C4'-P-C4' energy: -135.557 flat angles P-C4'-P energy: -102.440 tors. eta vs tors. theta energy: -121.606 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: 10 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1801.285862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.285862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.285862 (E_RNA) where: Base-Base interactions energy: -1180.684 where: short stacking energy: -526.817 Base-Backbone interact. energy: -3.079 local terms energy: -617.522616 where: bonds (distance) C4'-P energy: -136.201 bonds (distance) P-C4' energy: -109.656 flat angles C4'-P-C4' energy: -136.103 flat angles P-C4'-P energy: -94.677 tors. eta vs tors. theta energy: -140.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1430.317804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.317804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.317804 (E_RNA) where: Base-Base interactions energy: -912.995 where: short stacking energy: -447.414 Base-Backbone interact. energy: 0.876 local terms energy: -518.198615 where: bonds (distance) C4'-P energy: -110.444 bonds (distance) P-C4' energy: -122.839 flat angles C4'-P-C4' energy: -134.813 flat angles P-C4'-P energy: -69.390 tors. eta vs tors. theta energy: -80.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1260.106472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.106472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.106472 (E_RNA) where: Base-Base interactions energy: -776.021 where: short stacking energy: -378.027 Base-Backbone interact. energy: 2.802 local terms energy: -486.887080 where: bonds (distance) C4'-P energy: -113.939 bonds (distance) P-C4' energy: -122.690 flat angles C4'-P-C4' energy: -115.727 flat angles P-C4'-P energy: -80.119 tors. eta vs tors. theta energy: -54.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -677.782521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.782521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.782521 (E_RNA) where: Base-Base interactions energy: -311.638 where: short stacking energy: -202.697 Base-Backbone interact. energy: 0.283 local terms energy: -366.427713 where: bonds (distance) C4'-P energy: -116.786 bonds (distance) P-C4' energy: -124.573 flat angles C4'-P-C4' energy: -94.039 flat angles P-C4'-P energy: -48.305 tors. eta vs tors. theta energy: 17.275 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: 4 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2608.004571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.004571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.004571 (E_RNA) where: Base-Base interactions energy: -1802.661 where: short stacking energy: -792.115 Base-Backbone interact. energy: -5.044 local terms energy: -800.299195 where: bonds (distance) C4'-P energy: -132.447 bonds (distance) P-C4' energy: -143.387 flat angles C4'-P-C4' energy: -169.743 flat angles P-C4'-P energy: -111.599 tors. eta vs tors. theta energy: -243.124 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: 8 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2489.578877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.578877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.578877 (E_RNA) where: Base-Base interactions energy: -1687.940 where: short stacking energy: -754.822 Base-Backbone interact. energy: -2.553 local terms energy: -799.085928 where: bonds (distance) C4'-P energy: -143.001 bonds (distance) P-C4' energy: -143.587 flat angles C4'-P-C4' energy: -175.329 flat angles P-C4'-P energy: -116.728 tors. eta vs tors. theta energy: -220.441 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: 1 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2412.293845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.293845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.293845 (E_RNA) where: Base-Base interactions energy: -1660.332 where: short stacking energy: -684.366 Base-Backbone interact. energy: 2.204 local terms energy: -754.165184 where: bonds (distance) C4'-P energy: -147.050 bonds (distance) P-C4' energy: -141.221 flat angles C4'-P-C4' energy: -162.674 flat angles P-C4'-P energy: -103.243 tors. eta vs tors. theta energy: -199.978 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: 7 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2280.425417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.425417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.425417 (E_RNA) where: Base-Base interactions energy: -1561.988 where: short stacking energy: -675.124 Base-Backbone interact. energy: -1.050 local terms energy: -717.388218 where: bonds (distance) C4'-P energy: -125.867 bonds (distance) P-C4' energy: -128.970 flat angles C4'-P-C4' energy: -166.603 flat angles P-C4'-P energy: -92.920 tors. eta vs tors. theta energy: -203.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2064.777032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.777032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.777032 (E_RNA) where: Base-Base interactions energy: -1380.250 where: short stacking energy: -606.028 Base-Backbone interact. energy: 1.054 local terms energy: -685.581532 where: bonds (distance) C4'-P energy: -138.110 bonds (distance) P-C4' energy: -143.654 flat angles C4'-P-C4' energy: -135.836 flat angles P-C4'-P energy: -102.117 tors. eta vs tors. theta energy: -165.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1888.536475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.536475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.536475 (E_RNA) where: Base-Base interactions energy: -1278.710 where: short stacking energy: -558.293 Base-Backbone interact. energy: -2.594 local terms energy: -607.232822 where: bonds (distance) C4'-P energy: -106.111 bonds (distance) P-C4' energy: -117.807 flat angles C4'-P-C4' energy: -145.633 flat angles P-C4'-P energy: -86.402 tors. eta vs tors. theta energy: -151.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1769.582490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.582490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.582490 (E_RNA) where: Base-Base interactions energy: -1190.412 where: short stacking energy: -557.420 Base-Backbone interact. energy: -5.058 local terms energy: -574.112104 where: bonds (distance) C4'-P energy: -120.459 bonds (distance) P-C4' energy: -124.891 flat angles C4'-P-C4' energy: -114.511 flat angles P-C4'-P energy: -91.079 tors. eta vs tors. theta energy: -123.172 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: 8, replica: 6 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1418.154131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.154131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.154131 (E_RNA) where: Base-Base interactions energy: -929.745 where: short stacking energy: -416.800 Base-Backbone interact. energy: 0.224 local terms energy: -488.633495 where: bonds (distance) C4'-P energy: -115.883 bonds (distance) P-C4' energy: -135.268 flat angles C4'-P-C4' energy: -110.621 flat angles P-C4'-P energy: -64.218 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: 5 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1246.139972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.139972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.139972 (E_RNA) where: Base-Base interactions energy: -763.364 where: short stacking energy: -348.948 Base-Backbone interact. energy: -3.071 local terms energy: -479.704689 where: bonds (distance) C4'-P energy: -122.567 bonds (distance) P-C4' energy: -117.129 flat angles C4'-P-C4' energy: -121.171 flat angles P-C4'-P energy: -77.495 tors. eta vs tors. theta energy: -41.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -705.485439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.485439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.485439 (E_RNA) where: Base-Base interactions energy: -322.706 where: short stacking energy: -203.343 Base-Backbone interact. energy: -0.125 local terms energy: -382.654178 where: bonds (distance) C4'-P energy: -96.927 bonds (distance) P-C4' energy: -127.506 flat angles C4'-P-C4' energy: -117.675 flat angles P-C4'-P energy: -60.480 tors. eta vs tors. theta energy: 19.933 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: 4 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2595.699764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.699764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.699764 (E_RNA) where: Base-Base interactions energy: -1751.512 where: short stacking energy: -777.651 Base-Backbone interact. energy: -3.146 local terms energy: -841.042199 where: bonds (distance) C4'-P energy: -160.038 bonds (distance) P-C4' energy: -150.324 flat angles C4'-P-C4' energy: -170.294 flat angles P-C4'-P energy: -120.537 tors. eta vs tors. theta energy: -239.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2500.219635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.219635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.219635 (E_RNA) where: Base-Base interactions energy: -1738.471 where: short stacking energy: -754.524 Base-Backbone interact. energy: 0.233 local terms energy: -761.982017 where: bonds (distance) C4'-P energy: -127.988 bonds (distance) P-C4' energy: -146.821 flat angles C4'-P-C4' energy: -177.320 flat angles P-C4'-P energy: -92.546 tors. eta vs tors. theta energy: -217.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2402.560960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.560960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.560960 (E_RNA) where: Base-Base interactions energy: -1667.329 where: short stacking energy: -692.990 Base-Backbone interact. energy: -3.829 local terms energy: -731.403163 where: bonds (distance) C4'-P energy: -140.940 bonds (distance) P-C4' energy: -134.906 flat angles C4'-P-C4' energy: -155.116 flat angles P-C4'-P energy: -101.796 tors. eta vs tors. theta energy: -198.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2272.531279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.531279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.531279 (E_RNA) where: Base-Base interactions energy: -1554.211 where: short stacking energy: -678.520 Base-Backbone interact. energy: -2.867 local terms energy: -715.453776 where: bonds (distance) C4'-P energy: -114.445 bonds (distance) P-C4' energy: -148.075 flat angles C4'-P-C4' energy: -155.151 flat angles P-C4'-P energy: -102.338 tors. eta vs tors. theta energy: -195.446 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: 3 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2060.134887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.134887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.134887 (E_RNA) where: Base-Base interactions energy: -1390.241 where: short stacking energy: -585.272 Base-Backbone interact. energy: -0.793 local terms energy: -669.100730 where: bonds (distance) C4'-P energy: -125.449 bonds (distance) P-C4' energy: -146.638 flat angles C4'-P-C4' energy: -155.489 flat angles P-C4'-P energy: -97.323 tors. eta vs tors. theta energy: -144.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1803.801681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.801681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.801681 (E_RNA) where: Base-Base interactions energy: -1174.002 where: short stacking energy: -535.139 Base-Backbone interact. energy: -3.249 local terms energy: -626.551502 where: bonds (distance) C4'-P energy: -133.816 bonds (distance) P-C4' energy: -126.673 flat angles C4'-P-C4' energy: -144.609 flat angles P-C4'-P energy: -86.345 tors. eta vs tors. theta energy: -135.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1807.430282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.430282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.430282 (E_RNA) where: Base-Base interactions energy: -1195.886 where: short stacking energy: -521.922 Base-Backbone interact. energy: 0.155 local terms energy: -611.698664 where: bonds (distance) C4'-P energy: -115.609 bonds (distance) P-C4' energy: -148.383 flat angles C4'-P-C4' energy: -145.221 flat angles P-C4'-P energy: -69.906 tors. eta vs tors. theta energy: -132.580 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: 6 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1405.881614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.881614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.881614 (E_RNA) where: Base-Base interactions energy: -891.226 where: short stacking energy: -380.074 Base-Backbone interact. energy: -5.419 local terms energy: -509.236704 where: bonds (distance) C4'-P energy: -115.611 bonds (distance) P-C4' energy: -121.958 flat angles C4'-P-C4' energy: -132.259 flat angles P-C4'-P energy: -73.468 tors. eta vs tors. theta energy: -65.940 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: 5 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1190.029493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.029493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.029493 (E_RNA) where: Base-Base interactions energy: -698.112 where: short stacking energy: -349.395 Base-Backbone interact. energy: -3.470 local terms energy: -488.448215 where: bonds (distance) C4'-P energy: -107.851 bonds (distance) P-C4' energy: -135.949 flat angles C4'-P-C4' energy: -128.583 flat angles P-C4'-P energy: -73.791 tors. eta vs tors. theta energy: -42.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -769.128389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.128389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.128389 (E_RNA) where: Base-Base interactions energy: -362.992 where: short stacking energy: -233.218 Base-Backbone interact. energy: -5.405 local terms energy: -400.731638 where: bonds (distance) C4'-P energy: -139.649 bonds (distance) P-C4' energy: -107.618 flat angles C4'-P-C4' energy: -96.867 flat angles P-C4'-P energy: -61.970 tors. eta vs tors. theta energy: 5.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2585.353447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.353447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.353447 (E_RNA) where: Base-Base interactions energy: -1794.219 where: short stacking energy: -792.376 Base-Backbone interact. energy: -2.797 local terms energy: -788.338370 where: bonds (distance) C4'-P energy: -127.680 bonds (distance) P-C4' energy: -152.613 flat angles C4'-P-C4' energy: -164.437 flat angles P-C4'-P energy: -112.778 tors. eta vs tors. theta energy: -230.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2524.850963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.850963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.850963 (E_RNA) where: Base-Base interactions energy: -1740.047 where: short stacking energy: -771.583 Base-Backbone interact. energy: 0.826 local terms energy: -785.630456 where: bonds (distance) C4'-P energy: -140.282 bonds (distance) P-C4' energy: -148.405 flat angles C4'-P-C4' energy: -155.644 flat angles P-C4'-P energy: -114.617 tors. eta vs tors. theta energy: -226.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2390.599818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.599818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.599818 (E_RNA) where: Base-Base interactions energy: -1661.144 where: short stacking energy: -695.479 Base-Backbone interact. energy: -2.892 local terms energy: -726.564013 where: bonds (distance) C4'-P energy: -143.584 bonds (distance) P-C4' energy: -129.851 flat angles C4'-P-C4' energy: -161.472 flat angles P-C4'-P energy: -98.053 tors. eta vs tors. theta energy: -193.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2278.449776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.449776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.449776 (E_RNA) where: Base-Base interactions energy: -1554.521 where: short stacking energy: -681.911 Base-Backbone interact. energy: -3.277 local terms energy: -720.652581 where: bonds (distance) C4'-P energy: -134.293 bonds (distance) P-C4' energy: -140.675 flat angles C4'-P-C4' energy: -160.652 flat angles P-C4'-P energy: -89.769 tors. eta vs tors. theta energy: -195.264 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: 3 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2060.932209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.932209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.932209 (E_RNA) where: Base-Base interactions energy: -1383.513 where: short stacking energy: -578.041 Base-Backbone interact. energy: 1.217 local terms energy: -678.635813 where: bonds (distance) C4'-P energy: -130.065 bonds (distance) P-C4' energy: -129.319 flat angles C4'-P-C4' energy: -155.846 flat angles P-C4'-P energy: -102.003 tors. eta vs tors. theta energy: -161.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1809.637707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.637707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.637707 (E_RNA) where: Base-Base interactions energy: -1176.368 where: short stacking energy: -548.434 Base-Backbone interact. energy: -3.809 local terms energy: -629.460480 where: bonds (distance) C4'-P energy: -136.752 bonds (distance) P-C4' energy: -128.600 flat angles C4'-P-C4' energy: -125.381 flat angles P-C4'-P energy: -90.510 tors. eta vs tors. theta energy: -148.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1755.003490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.003490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.003490 (E_RNA) where: Base-Base interactions energy: -1168.766 where: short stacking energy: -515.057 Base-Backbone interact. energy: -3.217 local terms energy: -583.020031 where: bonds (distance) C4'-P energy: -115.410 bonds (distance) P-C4' energy: -136.495 flat angles C4'-P-C4' energy: -134.506 flat angles P-C4'-P energy: -89.624 tors. eta vs tors. theta energy: -106.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1362.543998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.543998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.543998 (E_RNA) where: Base-Base interactions energy: -862.717 where: short stacking energy: -391.825 Base-Backbone interact. energy: -1.165 local terms energy: -498.662181 where: bonds (distance) C4'-P energy: -100.004 bonds (distance) P-C4' energy: -131.974 flat angles C4'-P-C4' energy: -126.813 flat angles P-C4'-P energy: -69.475 tors. eta vs tors. theta energy: -70.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1164.044471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.044471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.044471 (E_RNA) where: Base-Base interactions energy: -701.549 where: short stacking energy: -342.397 Base-Backbone interact. energy: 1.826 local terms energy: -464.321210 where: bonds (distance) C4'-P energy: -94.530 bonds (distance) P-C4' energy: -143.111 flat angles C4'-P-C4' energy: -121.615 flat angles P-C4'-P energy: -70.782 tors. eta vs tors. theta energy: -34.283 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: 9 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -762.163628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.163628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.163628 (E_RNA) where: Base-Base interactions energy: -398.503 where: short stacking energy: -223.181 Base-Backbone interact. energy: 3.902 local terms energy: -367.562141 where: bonds (distance) C4'-P energy: -112.864 bonds (distance) P-C4' energy: -111.090 flat angles C4'-P-C4' energy: -85.955 flat angles P-C4'-P energy: -80.407 tors. eta vs tors. theta energy: 22.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2605.257782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.257782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.257782 (E_RNA) where: Base-Base interactions energy: -1801.886 where: short stacking energy: -790.750 Base-Backbone interact. energy: -2.826 local terms energy: -800.546512 where: bonds (distance) C4'-P energy: -157.978 bonds (distance) P-C4' energy: -145.273 flat angles C4'-P-C4' energy: -166.332 flat angles P-C4'-P energy: -98.228 tors. eta vs tors. theta energy: -232.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2516.005191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.005191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.005191 (E_RNA) where: Base-Base interactions energy: -1723.589 where: short stacking energy: -760.853 Base-Backbone interact. energy: -1.943 local terms energy: -790.472526 where: bonds (distance) C4'-P energy: -139.315 bonds (distance) P-C4' energy: -145.698 flat angles C4'-P-C4' energy: -160.105 flat angles P-C4'-P energy: -120.108 tors. eta vs tors. theta energy: -225.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2447.393552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.393552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.393552 (E_RNA) where: Base-Base interactions energy: -1698.985 where: short stacking energy: -730.391 Base-Backbone interact. energy: 1.207 local terms energy: -749.615572 where: bonds (distance) C4'-P energy: -138.242 bonds (distance) P-C4' energy: -149.889 flat angles C4'-P-C4' energy: -166.510 flat angles P-C4'-P energy: -97.052 tors. eta vs tors. theta energy: -197.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2276.357513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.357513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.357513 (E_RNA) where: Base-Base interactions energy: -1524.663 where: short stacking energy: -677.442 Base-Backbone interact. energy: -2.735 local terms energy: -748.959120 where: bonds (distance) C4'-P energy: -142.964 bonds (distance) P-C4' energy: -141.642 flat angles C4'-P-C4' energy: -162.993 flat angles P-C4'-P energy: -104.644 tors. eta vs tors. theta energy: -196.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2040.183190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.183190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.183190 (E_RNA) where: Base-Base interactions energy: -1380.941 where: short stacking energy: -587.147 Base-Backbone interact. energy: -1.941 local terms energy: -657.301272 where: bonds (distance) C4'-P energy: -135.651 bonds (distance) P-C4' energy: -136.655 flat angles C4'-P-C4' energy: -142.258 flat angles P-C4'-P energy: -98.906 tors. eta vs tors. theta energy: -143.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1821.415224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.415224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.415224 (E_RNA) where: Base-Base interactions energy: -1202.655 where: short stacking energy: -532.639 Base-Backbone interact. energy: -3.162 local terms energy: -615.598388 where: bonds (distance) C4'-P energy: -123.746 bonds (distance) P-C4' energy: -116.998 flat angles C4'-P-C4' energy: -135.870 flat angles P-C4'-P energy: -87.898 tors. eta vs tors. theta energy: -151.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1707.941045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.941045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.941045 (E_RNA) where: Base-Base interactions energy: -1116.037 where: short stacking energy: -502.675 Base-Backbone interact. energy: -1.893 local terms energy: -590.011251 where: bonds (distance) C4'-P energy: -97.948 bonds (distance) P-C4' energy: -129.757 flat angles C4'-P-C4' energy: -151.643 flat angles P-C4'-P energy: -88.754 tors. eta vs tors. theta energy: -121.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1362.373650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.373650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.373650 (E_RNA) where: Base-Base interactions energy: -854.341 where: short stacking energy: -372.667 Base-Backbone interact. energy: -3.029 local terms energy: -505.003250 where: bonds (distance) C4'-P energy: -116.007 bonds (distance) P-C4' energy: -141.009 flat angles C4'-P-C4' energy: -118.049 flat angles P-C4'-P energy: -72.891 tors. eta vs tors. theta energy: -57.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1167.349304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.349304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.349304 (E_RNA) where: Base-Base interactions energy: -724.874 where: short stacking energy: -367.913 Base-Backbone interact. energy: 1.076 local terms energy: -443.551699 where: bonds (distance) C4'-P energy: -79.823 bonds (distance) P-C4' energy: -129.573 flat angles C4'-P-C4' energy: -126.039 flat angles P-C4'-P energy: -60.637 tors. eta vs tors. theta energy: -47.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -771.590943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.590943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.590943 (E_RNA) where: Base-Base interactions energy: -410.387 where: short stacking energy: -249.399 Base-Backbone interact. energy: -4.151 local terms energy: -357.052860 where: bonds (distance) C4'-P energy: -97.365 bonds (distance) P-C4' energy: -108.516 flat angles C4'-P-C4' energy: -95.959 flat angles P-C4'-P energy: -58.162 tors. eta vs tors. theta energy: 2.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2611.082091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.082091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.082091 (E_RNA) where: Base-Base interactions energy: -1793.571 where: short stacking energy: -808.920 Base-Backbone interact. energy: -0.892 local terms energy: -816.619682 where: bonds (distance) C4'-P energy: -151.307 bonds (distance) P-C4' energy: -150.504 flat angles C4'-P-C4' energy: -165.572 flat angles P-C4'-P energy: -101.744 tors. eta vs tors. theta energy: -247.493 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: 8 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2488.348631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.348631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.348631 (E_RNA) where: Base-Base interactions energy: -1701.738 where: short stacking energy: -731.735 Base-Backbone interact. energy: -0.686 local terms energy: -785.924321 where: bonds (distance) C4'-P energy: -145.643 bonds (distance) P-C4' energy: -157.260 flat angles C4'-P-C4' energy: -157.756 flat angles P-C4'-P energy: -112.656 tors. eta vs tors. theta energy: -212.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2429.985006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.985006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.985006 (E_RNA) where: Base-Base interactions energy: -1681.542 where: short stacking energy: -706.107 Base-Backbone interact. energy: -3.392 local terms energy: -745.050957 where: bonds (distance) C4'-P energy: -133.069 bonds (distance) P-C4' energy: -141.298 flat angles C4'-P-C4' energy: -160.276 flat angles P-C4'-P energy: -113.631 tors. eta vs tors. theta energy: -196.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2261.180093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.180093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.180093 (E_RNA) where: Base-Base interactions energy: -1546.452 where: short stacking energy: -665.941 Base-Backbone interact. energy: -3.078 local terms energy: -711.649426 where: bonds (distance) C4'-P energy: -133.234 bonds (distance) P-C4' energy: -154.955 flat angles C4'-P-C4' energy: -140.383 flat angles P-C4'-P energy: -87.810 tors. eta vs tors. theta energy: -195.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2088.362649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.362649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.362649 (E_RNA) where: Base-Base interactions energy: -1413.664 where: short stacking energy: -597.678 Base-Backbone interact. energy: -2.927 local terms energy: -671.771621 where: bonds (distance) C4'-P energy: -124.478 bonds (distance) P-C4' energy: -140.180 flat angles C4'-P-C4' energy: -141.074 flat angles P-C4'-P energy: -98.503 tors. eta vs tors. theta energy: -167.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1798.928595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.928595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.928595 (E_RNA) where: Base-Base interactions energy: -1160.286 where: short stacking energy: -532.752 Base-Backbone interact. energy: -2.652 local terms energy: -635.990169 where: bonds (distance) C4'-P energy: -126.160 bonds (distance) P-C4' energy: -146.273 flat angles C4'-P-C4' energy: -137.707 flat angles P-C4'-P energy: -86.029 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: 7, replica: 2 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1693.166222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.166222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.166222 (E_RNA) where: Base-Base interactions energy: -1139.804 where: short stacking energy: -508.594 Base-Backbone interact. energy: -0.752 local terms energy: -552.609962 where: bonds (distance) C4'-P energy: -103.836 bonds (distance) P-C4' energy: -113.097 flat angles C4'-P-C4' energy: -133.626 flat angles P-C4'-P energy: -79.406 tors. eta vs tors. theta energy: -122.645 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: 6 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1400.599029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.599029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.599029 (E_RNA) where: Base-Base interactions energy: -853.404 where: short stacking energy: -403.499 Base-Backbone interact. energy: -2.654 local terms energy: -544.541613 where: bonds (distance) C4'-P energy: -130.763 bonds (distance) P-C4' energy: -118.905 flat angles C4'-P-C4' energy: -131.430 flat angles P-C4'-P energy: -87.710 tors. eta vs tors. theta energy: -75.734 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: 5 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1171.323658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.323658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.323658 (E_RNA) where: Base-Base interactions energy: -698.972 where: short stacking energy: -329.984 Base-Backbone interact. energy: 6.459 local terms energy: -478.810514 where: bonds (distance) C4'-P energy: -126.865 bonds (distance) P-C4' energy: -123.799 flat angles C4'-P-C4' energy: -117.725 flat angles P-C4'-P energy: -76.184 tors. eta vs tors. theta energy: -34.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -759.228162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.228162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.228162 (E_RNA) where: Base-Base interactions energy: -347.132 where: short stacking energy: -225.489 Base-Backbone interact. energy: -1.894 local terms energy: -410.203022 where: bonds (distance) C4'-P energy: -121.387 bonds (distance) P-C4' energy: -140.611 flat angles C4'-P-C4' energy: -107.738 flat angles P-C4'-P energy: -49.382 tors. eta vs tors. theta energy: 8.915 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: 4 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2590.040717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.040717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.040717 (E_RNA) where: Base-Base interactions energy: -1782.068 where: short stacking energy: -768.965 Base-Backbone interact. energy: -0.637 local terms energy: -807.335964 where: bonds (distance) C4'-P energy: -154.036 bonds (distance) P-C4' energy: -154.771 flat angles C4'-P-C4' energy: -169.450 flat angles P-C4'-P energy: -94.889 tors. eta vs tors. theta energy: -234.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2517.587400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.587400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.587400 (E_RNA) where: Base-Base interactions energy: -1710.727 where: short stacking energy: -760.618 Base-Backbone interact. energy: -2.419 local terms energy: -804.441099 where: bonds (distance) C4'-P energy: -142.253 bonds (distance) P-C4' energy: -157.308 flat angles C4'-P-C4' energy: -169.523 flat angles P-C4'-P energy: -106.896 tors. eta vs tors. theta energy: -228.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2426.781661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.781661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.781661 (E_RNA) where: Base-Base interactions energy: -1702.082 where: short stacking energy: -707.324 Base-Backbone interact. energy: -0.497 local terms energy: -724.202355 where: bonds (distance) C4'-P energy: -148.399 bonds (distance) P-C4' energy: -127.109 flat angles C4'-P-C4' energy: -149.488 flat angles P-C4'-P energy: -106.158 tors. eta vs tors. theta energy: -193.048 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: 7 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2265.906477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.906477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.906477 (E_RNA) where: Base-Base interactions energy: -1530.711 where: short stacking energy: -676.457 Base-Backbone interact. energy: -2.387 local terms energy: -732.808322 where: bonds (distance) C4'-P energy: -122.130 bonds (distance) P-C4' energy: -147.490 flat angles C4'-P-C4' energy: -166.728 flat angles P-C4'-P energy: -103.970 tors. eta vs tors. theta energy: -192.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2113.823931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.823931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.823931 (E_RNA) where: Base-Base interactions energy: -1443.010 where: short stacking energy: -632.522 Base-Backbone interact. energy: -3.721 local terms energy: -667.093251 where: bonds (distance) C4'-P energy: -143.472 bonds (distance) P-C4' energy: -139.308 flat angles C4'-P-C4' energy: -121.421 flat angles P-C4'-P energy: -91.174 tors. eta vs tors. theta energy: -171.717 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: 10 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1851.728534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.728534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.728534 (E_RNA) where: Base-Base interactions energy: -1214.411 where: short stacking energy: -523.427 Base-Backbone interact. energy: -2.853 local terms energy: -634.464310 where: bonds (distance) C4'-P energy: -123.103 bonds (distance) P-C4' energy: -127.275 flat angles C4'-P-C4' energy: -153.678 flat angles P-C4'-P energy: -85.721 tors. eta vs tors. theta energy: -144.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1726.549554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.549554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.549554 (E_RNA) where: Base-Base interactions energy: -1095.198 where: short stacking energy: -498.549 Base-Backbone interact. energy: -0.172 local terms energy: -631.179361 where: bonds (distance) C4'-P energy: -129.985 bonds (distance) P-C4' energy: -125.748 flat angles C4'-P-C4' energy: -137.543 flat angles P-C4'-P energy: -97.792 tors. eta vs tors. theta energy: -140.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1373.825297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.825297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.825297 (E_RNA) where: Base-Base interactions energy: -902.308 where: short stacking energy: -394.372 Base-Backbone interact. energy: -0.823 local terms energy: -470.694119 where: bonds (distance) C4'-P energy: -81.879 bonds (distance) P-C4' energy: -116.760 flat angles C4'-P-C4' energy: -122.638 flat angles P-C4'-P energy: -90.053 tors. eta vs tors. theta energy: -59.364 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: 5 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1218.895488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.895488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.895488 (E_RNA) where: Base-Base interactions energy: -732.680 where: short stacking energy: -356.434 Base-Backbone interact. energy: -3.524 local terms energy: -482.691337 where: bonds (distance) C4'-P energy: -105.883 bonds (distance) P-C4' energy: -130.535 flat angles C4'-P-C4' energy: -120.608 flat angles P-C4'-P energy: -71.050 tors. eta vs tors. theta energy: -54.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -717.346300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.346300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.346300 (E_RNA) where: Base-Base interactions energy: -320.053 where: short stacking energy: -183.820 Base-Backbone interact. energy: -0.139 local terms energy: -397.154438 where: bonds (distance) C4'-P energy: -124.330 bonds (distance) P-C4' energy: -114.845 flat angles C4'-P-C4' energy: -97.398 flat angles P-C4'-P energy: -67.148 tors. eta vs tors. theta energy: 6.566 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: 4 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2585.895061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.895061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.895061 (E_RNA) where: Base-Base interactions energy: -1772.976 where: short stacking energy: -771.157 Base-Backbone interact. energy: 3.328 local terms energy: -816.246707 where: bonds (distance) C4'-P energy: -158.145 bonds (distance) P-C4' energy: -157.963 flat angles C4'-P-C4' energy: -166.884 flat angles P-C4'-P energy: -109.459 tors. eta vs tors. theta energy: -223.796 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: 2, replica: 8 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2525.756037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.756037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.756037 (E_RNA) where: Base-Base interactions energy: -1740.454 where: short stacking energy: -757.622 Base-Backbone interact. energy: -3.869 local terms energy: -781.433410 where: bonds (distance) C4'-P energy: -138.079 bonds (distance) P-C4' energy: -134.983 flat angles C4'-P-C4' energy: -165.757 flat angles P-C4'-P energy: -104.177 tors. eta vs tors. theta energy: -238.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2412.887158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.887158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.887158 (E_RNA) where: Base-Base interactions energy: -1670.811 where: short stacking energy: -710.648 Base-Backbone interact. energy: 1.516 local terms energy: -743.592188 where: bonds (distance) C4'-P energy: -151.655 bonds (distance) P-C4' energy: -138.343 flat angles C4'-P-C4' energy: -161.568 flat angles P-C4'-P energy: -98.501 tors. eta vs tors. theta energy: -193.525 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: 210 Temperature: 1.050000 Total energy: -2250.911513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.911513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.911513 (E_RNA) where: Base-Base interactions energy: -1497.818 where: short stacking energy: -648.921 Base-Backbone interact. energy: -1.219 local terms energy: -751.874520 where: bonds (distance) C4'-P energy: -122.473 bonds (distance) P-C4' energy: -154.494 flat angles C4'-P-C4' energy: -166.354 flat angles P-C4'-P energy: -106.964 tors. eta vs tors. theta energy: -201.590 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: 5, replica: 3 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2059.221937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.221937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.221937 (E_RNA) where: Base-Base interactions energy: -1396.943 where: short stacking energy: -586.718 Base-Backbone interact. energy: -1.148 local terms energy: -661.130154 where: bonds (distance) C4'-P energy: -120.530 bonds (distance) P-C4' energy: -145.877 flat angles C4'-P-C4' energy: -142.665 flat angles P-C4'-P energy: -100.564 tors. eta vs tors. theta energy: -151.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1851.993146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.993146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.993146 (E_RNA) where: Base-Base interactions energy: -1209.323 where: short stacking energy: -540.207 Base-Backbone interact. energy: -2.045 local terms energy: -640.625037 where: bonds (distance) C4'-P energy: -117.667 bonds (distance) P-C4' energy: -131.986 flat angles C4'-P-C4' energy: -143.001 flat angles P-C4'-P energy: -87.380 tors. eta vs tors. theta energy: -160.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1756.501209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.501209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.501209 (E_RNA) where: Base-Base interactions energy: -1142.248 where: short stacking energy: -499.859 Base-Backbone interact. energy: -2.149 local terms energy: -612.104632 where: bonds (distance) C4'-P energy: -116.610 bonds (distance) P-C4' energy: -127.825 flat angles C4'-P-C4' energy: -141.886 flat angles P-C4'-P energy: -90.276 tors. eta vs tors. theta energy: -135.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1440.007049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.007049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.007049 (E_RNA) where: Base-Base interactions energy: -923.131 where: short stacking energy: -414.769 Base-Backbone interact. energy: -0.021 local terms energy: -516.855187 where: bonds (distance) C4'-P energy: -121.920 bonds (distance) P-C4' energy: -114.497 flat angles C4'-P-C4' energy: -131.938 flat angles P-C4'-P energy: -79.175 tors. eta vs tors. theta energy: -69.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1209.221016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.221016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.221016 (E_RNA) where: Base-Base interactions energy: -698.799 where: short stacking energy: -329.536 Base-Backbone interact. energy: -0.841 local terms energy: -509.581058 where: bonds (distance) C4'-P energy: -125.855 bonds (distance) P-C4' energy: -131.776 flat angles C4'-P-C4' energy: -109.098 flat angles P-C4'-P energy: -82.020 tors. eta vs tors. theta energy: -60.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -772.986073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.986073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.986073 (E_RNA) where: Base-Base interactions energy: -385.286 where: short stacking energy: -219.823 Base-Backbone interact. energy: 4.934 local terms energy: -392.634044 where: bonds (distance) C4'-P energy: -126.255 bonds (distance) P-C4' energy: -102.893 flat angles C4'-P-C4' energy: -109.372 flat angles P-C4'-P energy: -60.341 tors. eta vs tors. theta energy: 6.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2609.325292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.325292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.325292 (E_RNA) where: Base-Base interactions energy: -1778.679 where: short stacking energy: -763.136 Base-Backbone interact. energy: -4.152 local terms energy: -826.494021 where: bonds (distance) C4'-P energy: -148.058 bonds (distance) P-C4' energy: -154.387 flat angles C4'-P-C4' energy: -178.858 flat angles P-C4'-P energy: -110.863 tors. eta vs tors. theta energy: -234.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2541.716814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.716814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.716814 (E_RNA) where: Base-Base interactions energy: -1763.637 where: short stacking energy: -762.246 Base-Backbone interact. energy: 2.510 local terms energy: -780.589475 where: bonds (distance) C4'-P energy: -141.398 bonds (distance) P-C4' energy: -152.208 flat angles C4'-P-C4' energy: -174.777 flat angles P-C4'-P energy: -95.077 tors. eta vs tors. theta energy: -217.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2394.365504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.365504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.365504 (E_RNA) where: Base-Base interactions energy: -1648.476 where: short stacking energy: -666.050 Base-Backbone interact. energy: -1.966 local terms energy: -743.923323 where: bonds (distance) C4'-P energy: -150.071 bonds (distance) P-C4' energy: -148.689 flat angles C4'-P-C4' energy: -150.094 flat angles P-C4'-P energy: -102.529 tors. eta vs tors. theta energy: -192.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2233.538008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.538008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.538008 (E_RNA) where: Base-Base interactions energy: -1525.643 where: short stacking energy: -662.328 Base-Backbone interact. energy: -0.933 local terms energy: -706.962338 where: bonds (distance) C4'-P energy: -127.245 bonds (distance) P-C4' energy: -131.510 flat angles C4'-P-C4' energy: -157.130 flat angles P-C4'-P energy: -104.023 tors. eta vs tors. theta energy: -187.055 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: 3 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2129.861713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.861713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.861713 (E_RNA) where: Base-Base interactions energy: -1437.037 where: short stacking energy: -605.730 Base-Backbone interact. energy: -1.966 local terms energy: -690.858772 where: bonds (distance) C4'-P energy: -134.448 bonds (distance) P-C4' energy: -125.627 flat angles C4'-P-C4' energy: -162.005 flat angles P-C4'-P energy: -104.019 tors. eta vs tors. theta energy: -164.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1777.444879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.444879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.444879 (E_RNA) where: Base-Base interactions energy: -1174.125 where: short stacking energy: -521.229 Base-Backbone interact. energy: -0.734 local terms energy: -602.585711 where: bonds (distance) C4'-P energy: -128.846 bonds (distance) P-C4' energy: -128.010 flat angles C4'-P-C4' energy: -131.482 flat angles P-C4'-P energy: -85.508 tors. eta vs tors. theta energy: -128.739 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: 2 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1713.305495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.305495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.305495 (E_RNA) where: Base-Base interactions energy: -1111.268 where: short stacking energy: -503.755 Base-Backbone interact. energy: -2.306 local terms energy: -599.731137 where: bonds (distance) C4'-P energy: -116.679 bonds (distance) P-C4' energy: -141.690 flat angles C4'-P-C4' energy: -134.517 flat angles P-C4'-P energy: -93.914 tors. eta vs tors. theta energy: -112.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1469.582481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.582481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.582481 (E_RNA) where: Base-Base interactions energy: -928.180 where: short stacking energy: -431.497 Base-Backbone interact. energy: -1.434 local terms energy: -539.968154 where: bonds (distance) C4'-P energy: -103.911 bonds (distance) P-C4' energy: -139.171 flat angles C4'-P-C4' energy: -125.061 flat angles P-C4'-P energy: -87.750 tors. eta vs tors. theta energy: -84.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1236.342670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.342670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.342670 (E_RNA) where: Base-Base interactions energy: -792.370 where: short stacking energy: -384.896 Base-Backbone interact. energy: -4.881 local terms energy: -439.091604 where: bonds (distance) C4'-P energy: -102.843 bonds (distance) P-C4' energy: -121.689 flat angles C4'-P-C4' energy: -113.045 flat angles P-C4'-P energy: -35.470 tors. eta vs tors. theta energy: -66.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -804.596823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.596823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.596823 (E_RNA) where: Base-Base interactions energy: -410.574 where: short stacking energy: -219.990 Base-Backbone interact. energy: 6.752 local terms energy: -400.775342 where: bonds (distance) C4'-P energy: -130.147 bonds (distance) P-C4' energy: -108.894 flat angles C4'-P-C4' energy: -106.218 flat angles P-C4'-P energy: -56.889 tors. eta vs tors. theta energy: 1.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2591.161281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.161281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.161281 (E_RNA) where: Base-Base interactions energy: -1767.067 where: short stacking energy: -774.316 Base-Backbone interact. energy: -2.021 local terms energy: -822.073753 where: bonds (distance) C4'-P energy: -147.595 bonds (distance) P-C4' energy: -144.622 flat angles C4'-P-C4' energy: -176.892 flat angles P-C4'-P energy: -117.544 tors. eta vs tors. theta energy: -235.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2515.326048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.326048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.326048 (E_RNA) where: Base-Base interactions energy: -1722.029 where: short stacking energy: -743.775 Base-Backbone interact. energy: -0.916 local terms energy: -792.381360 where: bonds (distance) C4'-P energy: -146.183 bonds (distance) P-C4' energy: -143.921 flat angles C4'-P-C4' energy: -163.367 flat angles P-C4'-P energy: -110.953 tors. eta vs tors. theta energy: -227.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2389.448044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.448044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.448044 (E_RNA) where: Base-Base interactions energy: -1636.734 where: short stacking energy: -691.017 Base-Backbone interact. energy: -0.169 local terms energy: -752.545419 where: bonds (distance) C4'-P energy: -142.907 bonds (distance) P-C4' energy: -144.447 flat angles C4'-P-C4' energy: -165.466 flat angles P-C4'-P energy: -95.830 tors. eta vs tors. theta energy: -203.895 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: 4, replica: 7 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2248.025921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.025921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.025921 (E_RNA) where: Base-Base interactions energy: -1534.409 where: short stacking energy: -647.214 Base-Backbone interact. energy: 0.255 local terms energy: -713.872503 where: bonds (distance) C4'-P energy: -143.462 bonds (distance) P-C4' energy: -149.652 flat angles C4'-P-C4' energy: -147.047 flat angles P-C4'-P energy: -92.260 tors. eta vs tors. theta energy: -181.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2128.107662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.107662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.107662 (E_RNA) where: Base-Base interactions energy: -1442.206 where: short stacking energy: -613.555 Base-Backbone interact. energy: 0.332 local terms energy: -686.233625 where: bonds (distance) C4'-P energy: -113.513 bonds (distance) P-C4' energy: -158.614 flat angles C4'-P-C4' energy: -151.738 flat angles P-C4'-P energy: -91.641 tors. eta vs tors. theta energy: -170.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1840.286630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.286630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.286630 (E_RNA) where: Base-Base interactions energy: -1224.855 where: short stacking energy: -557.856 Base-Backbone interact. energy: -0.985 local terms energy: -614.447103 where: bonds (distance) C4'-P energy: -122.540 bonds (distance) P-C4' energy: -135.073 flat angles C4'-P-C4' energy: -139.313 flat angles P-C4'-P energy: -83.563 tors. eta vs tors. theta energy: -133.958 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: 2 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1709.468110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.468110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.468110 (E_RNA) where: Base-Base interactions energy: -1111.370 where: short stacking energy: -498.825 Base-Backbone interact. energy: 0.368 local terms energy: -598.466163 where: bonds (distance) C4'-P energy: -123.898 bonds (distance) P-C4' energy: -117.905 flat angles C4'-P-C4' energy: -144.541 flat angles P-C4'-P energy: -96.021 tors. eta vs tors. theta energy: -116.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1441.001802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.001802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.001802 (E_RNA) where: Base-Base interactions energy: -911.310 where: short stacking energy: -415.489 Base-Backbone interact. energy: -0.195 local terms energy: -529.496143 where: bonds (distance) C4'-P energy: -116.862 bonds (distance) P-C4' energy: -129.963 flat angles C4'-P-C4' energy: -121.284 flat angles P-C4'-P energy: -76.054 tors. eta vs tors. theta energy: -85.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1225.548665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.548665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.548665 (E_RNA) where: Base-Base interactions energy: -734.766 where: short stacking energy: -362.215 Base-Backbone interact. energy: -3.829 local terms energy: -486.953204 where: bonds (distance) C4'-P energy: -127.484 bonds (distance) P-C4' energy: -124.584 flat angles C4'-P-C4' energy: -97.973 flat angles P-C4'-P energy: -90.665 tors. eta vs tors. theta energy: -46.247 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: 9 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -777.734080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.734080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.734080 (E_RNA) where: Base-Base interactions energy: -377.114 where: short stacking energy: -202.128 Base-Backbone interact. energy: -1.383 local terms energy: -399.237894 where: bonds (distance) C4'-P energy: -104.532 bonds (distance) P-C4' energy: -145.088 flat angles C4'-P-C4' energy: -101.112 flat angles P-C4'-P energy: -65.869 tors. eta vs tors. theta energy: 17.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2592.812313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.812313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.812313 (E_RNA) where: Base-Base interactions energy: -1791.328 where: short stacking energy: -770.050 Base-Backbone interact. energy: -4.099 local terms energy: -797.385488 where: bonds (distance) C4'-P energy: -143.185 bonds (distance) P-C4' energy: -142.940 flat angles C4'-P-C4' energy: -170.368 flat angles P-C4'-P energy: -118.126 tors. eta vs tors. theta energy: -222.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2498.098426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.098426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.098426 (E_RNA) where: Base-Base interactions energy: -1706.129 where: short stacking energy: -761.266 Base-Backbone interact. energy: -1.193 local terms energy: -790.776251 where: bonds (distance) C4'-P energy: -140.416 bonds (distance) P-C4' energy: -150.708 flat angles C4'-P-C4' energy: -166.502 flat angles P-C4'-P energy: -107.252 tors. eta vs tors. theta energy: -225.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2430.428417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.428417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.428417 (E_RNA) where: Base-Base interactions energy: -1691.336 where: short stacking energy: -691.764 Base-Backbone interact. energy: 2.936 local terms energy: -742.027753 where: bonds (distance) C4'-P energy: -137.966 bonds (distance) P-C4' energy: -148.923 flat angles C4'-P-C4' energy: -153.357 flat angles P-C4'-P energy: -109.894 tors. eta vs tors. theta energy: -191.888 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: 4, replica: 7 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2271.893822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.893822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.893822 (E_RNA) where: Base-Base interactions energy: -1547.921 where: short stacking energy: -661.244 Base-Backbone interact. energy: -2.144 local terms energy: -721.828932 where: bonds (distance) C4'-P energy: -128.289 bonds (distance) P-C4' energy: -141.673 flat angles C4'-P-C4' energy: -163.505 flat angles P-C4'-P energy: -95.939 tors. eta vs tors. theta energy: -192.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2082.423171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.423171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.423171 (E_RNA) where: Base-Base interactions energy: -1445.456 where: short stacking energy: -594.981 Base-Backbone interact. energy: -0.176 local terms energy: -636.790841 where: bonds (distance) C4'-P energy: -132.115 bonds (distance) P-C4' energy: -109.466 flat angles C4'-P-C4' energy: -154.860 flat angles P-C4'-P energy: -77.198 tors. eta vs tors. theta energy: -163.152 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: 10 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1889.900813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.900813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.900813 (E_RNA) where: Base-Base interactions energy: -1227.223 where: short stacking energy: -551.483 Base-Backbone interact. energy: -3.347 local terms energy: -659.329962 where: bonds (distance) C4'-P energy: -117.750 bonds (distance) P-C4' energy: -135.453 flat angles C4'-P-C4' energy: -154.546 flat angles P-C4'-P energy: -99.474 tors. eta vs tors. theta energy: -152.107 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: 2 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1688.235725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.235725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.235725 (E_RNA) where: Base-Base interactions energy: -1118.153 where: short stacking energy: -499.679 Base-Backbone interact. energy: -0.563 local terms energy: -569.519974 where: bonds (distance) C4'-P energy: -115.539 bonds (distance) P-C4' energy: -138.107 flat angles C4'-P-C4' energy: -120.110 flat angles P-C4'-P energy: -81.337 tors. eta vs tors. theta energy: -114.426 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: 6 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1389.858981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.858981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.858981 (E_RNA) where: Base-Base interactions energy: -861.363 where: short stacking energy: -415.582 Base-Backbone interact. energy: -0.759 local terms energy: -527.736940 where: bonds (distance) C4'-P energy: -115.081 bonds (distance) P-C4' energy: -135.892 flat angles C4'-P-C4' energy: -130.215 flat angles P-C4'-P energy: -66.738 tors. eta vs tors. theta energy: -79.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1265.648648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.648648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.648648 (E_RNA) where: Base-Base interactions energy: -784.215 where: short stacking energy: -363.946 Base-Backbone interact. energy: -1.940 local terms energy: -479.493971 where: bonds (distance) C4'-P energy: -111.760 bonds (distance) P-C4' energy: -125.217 flat angles C4'-P-C4' energy: -113.798 flat angles P-C4'-P energy: -73.137 tors. eta vs tors. theta energy: -55.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -736.661966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.661966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.661966 (E_RNA) where: Base-Base interactions energy: -352.997 where: short stacking energy: -188.453 Base-Backbone interact. energy: 4.041 local terms energy: -387.706879 where: bonds (distance) C4'-P energy: -117.517 bonds (distance) P-C4' energy: -132.593 flat angles C4'-P-C4' energy: -94.619 flat angles P-C4'-P energy: -57.650 tors. eta vs tors. theta energy: 14.672 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: 8 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2556.180737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.180737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.180737 (E_RNA) where: Base-Base interactions energy: -1766.035 where: short stacking energy: -752.126 Base-Backbone interact. energy: 0.308 local terms energy: -790.453630 where: bonds (distance) C4'-P energy: -152.166 bonds (distance) P-C4' energy: -154.134 flat angles C4'-P-C4' energy: -164.881 flat angles P-C4'-P energy: -98.481 tors. eta vs tors. theta energy: -220.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2567.802750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.802750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.802750 (E_RNA) where: Base-Base interactions energy: -1780.163 where: short stacking energy: -758.848 Base-Backbone interact. energy: -1.949 local terms energy: -785.690808 where: bonds (distance) C4'-P energy: -132.606 bonds (distance) P-C4' energy: -156.937 flat angles C4'-P-C4' energy: -148.969 flat angles P-C4'-P energy: -112.556 tors. eta vs tors. theta energy: -234.623 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: 3, replica: 1 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2414.979852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.979852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.979852 (E_RNA) where: Base-Base interactions energy: -1679.798 where: short stacking energy: -691.346 Base-Backbone interact. energy: 1.609 local terms energy: -736.790293 where: bonds (distance) C4'-P energy: -134.828 bonds (distance) P-C4' energy: -151.006 flat angles C4'-P-C4' energy: -155.920 flat angles P-C4'-P energy: -103.671 tors. eta vs tors. theta energy: -191.365 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: 214 Temperature: 1.050000 Total energy: -2277.306495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.306495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.306495 (E_RNA) where: Base-Base interactions energy: -1550.905 where: short stacking energy: -665.746 Base-Backbone interact. energy: 1.046 local terms energy: -727.447799 where: bonds (distance) C4'-P energy: -132.400 bonds (distance) P-C4' energy: -129.589 flat angles C4'-P-C4' energy: -164.928 flat angles P-C4'-P energy: -98.317 tors. eta vs tors. theta energy: -202.213 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: 5, replica: 3 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2095.488262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.488262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.488262 (E_RNA) where: Base-Base interactions energy: -1428.205 where: short stacking energy: -605.855 Base-Backbone interact. energy: -3.183 local terms energy: -664.101074 where: bonds (distance) C4'-P energy: -139.701 bonds (distance) P-C4' energy: -133.654 flat angles C4'-P-C4' energy: -147.764 flat angles P-C4'-P energy: -83.205 tors. eta vs tors. theta energy: -159.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1802.616069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.616069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.616069 (E_RNA) where: Base-Base interactions energy: -1190.568 where: short stacking energy: -538.150 Base-Backbone interact. energy: -3.262 local terms energy: -608.786503 where: bonds (distance) C4'-P energy: -126.398 bonds (distance) P-C4' energy: -126.645 flat angles C4'-P-C4' energy: -130.347 flat angles P-C4'-P energy: -91.512 tors. eta vs tors. theta energy: -133.885 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: 7, replica: 2 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1735.410097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.410097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.410097 (E_RNA) where: Base-Base interactions energy: -1143.240 where: short stacking energy: -528.480 Base-Backbone interact. energy: 3.951 local terms energy: -596.121395 where: bonds (distance) C4'-P energy: -101.037 bonds (distance) P-C4' energy: -138.337 flat angles C4'-P-C4' energy: -141.361 flat angles P-C4'-P energy: -87.621 tors. eta vs tors. theta energy: -127.766 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: 6 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1438.412307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.412307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.412307 (E_RNA) where: Base-Base interactions energy: -907.558 where: short stacking energy: -390.623 Base-Backbone interact. energy: 2.108 local terms energy: -532.962445 where: bonds (distance) C4'-P energy: -134.086 bonds (distance) P-C4' energy: -127.613 flat angles C4'-P-C4' energy: -119.376 flat angles P-C4'-P energy: -81.731 tors. eta vs tors. theta energy: -70.157 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: 5 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1179.204475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.204475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.204475 (E_RNA) where: Base-Base interactions energy: -684.756 where: short stacking energy: -315.790 Base-Backbone interact. energy: -3.235 local terms energy: -491.213774 where: bonds (distance) C4'-P energy: -104.054 bonds (distance) P-C4' energy: -136.998 flat angles C4'-P-C4' energy: -112.806 flat angles P-C4'-P energy: -92.622 tors. eta vs tors. theta energy: -44.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -741.445542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.445542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.445542 (E_RNA) where: Base-Base interactions energy: -343.697 where: short stacking energy: -213.721 Base-Backbone interact. energy: -3.183 local terms energy: -394.565491 where: bonds (distance) C4'-P energy: -109.613 bonds (distance) P-C4' energy: -131.890 flat angles C4'-P-C4' energy: -102.282 flat angles P-C4'-P energy: -48.757 tors. eta vs tors. theta energy: -2.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2570.731628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.731628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.731628 (E_RNA) where: Base-Base interactions energy: -1752.649 where: short stacking energy: -755.542 Base-Backbone interact. energy: 1.218 local terms energy: -819.300900 where: bonds (distance) C4'-P energy: -155.227 bonds (distance) P-C4' energy: -152.941 flat angles C4'-P-C4' energy: -176.752 flat angles P-C4'-P energy: -116.316 tors. eta vs tors. theta energy: -218.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2525.054821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.054821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.054821 (E_RNA) where: Base-Base interactions energy: -1749.378 where: short stacking energy: -784.477 Base-Backbone interact. energy: -3.782 local terms energy: -771.895326 where: bonds (distance) C4'-P energy: -148.323 bonds (distance) P-C4' energy: -133.969 flat angles C4'-P-C4' energy: -162.138 flat angles P-C4'-P energy: -102.270 tors. eta vs tors. theta energy: -225.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2488.601881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.601881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.601881 (E_RNA) where: Base-Base interactions energy: -1741.104 where: short stacking energy: -712.765 Base-Backbone interact. energy: -3.240 local terms energy: -744.257971 where: bonds (distance) C4'-P energy: -131.840 bonds (distance) P-C4' energy: -147.911 flat angles C4'-P-C4' energy: -168.568 flat angles P-C4'-P energy: -104.557 tors. eta vs tors. theta energy: -191.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2267.647505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.647505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.647505 (E_RNA) where: Base-Base interactions energy: -1534.775 where: short stacking energy: -687.731 Base-Backbone interact. energy: -2.931 local terms energy: -729.942062 where: bonds (distance) C4'-P energy: -134.566 bonds (distance) P-C4' energy: -141.710 flat angles C4'-P-C4' energy: -159.449 flat angles P-C4'-P energy: -102.215 tors. eta vs tors. theta energy: -192.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2061.600997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.600997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.600997 (E_RNA) where: Base-Base interactions energy: -1412.335 where: short stacking energy: -578.142 Base-Backbone interact. energy: -2.733 local terms energy: -646.532775 where: bonds (distance) C4'-P energy: -125.842 bonds (distance) P-C4' energy: -125.037 flat angles C4'-P-C4' energy: -135.038 flat angles P-C4'-P energy: -89.440 tors. eta vs tors. theta energy: -171.177 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: 10 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1818.631862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.631862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.631862 (E_RNA) where: Base-Base interactions energy: -1202.415 where: short stacking energy: -533.749 Base-Backbone interact. energy: -2.417 local terms energy: -613.799119 where: bonds (distance) C4'-P energy: -118.532 bonds (distance) P-C4' energy: -114.107 flat angles C4'-P-C4' energy: -153.454 flat angles P-C4'-P energy: -96.961 tors. eta vs tors. theta energy: -130.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1739.538070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.538070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.538070 (E_RNA) where: Base-Base interactions energy: -1138.559 where: short stacking energy: -493.905 Base-Backbone interact. energy: 3.796 local terms energy: -604.775115 where: bonds (distance) C4'-P energy: -123.582 bonds (distance) P-C4' energy: -141.951 flat angles C4'-P-C4' energy: -136.199 flat angles P-C4'-P energy: -75.677 tors. eta vs tors. theta energy: -127.367 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: 8, replica: 6 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1399.802463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.802463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.802463 (E_RNA) where: Base-Base interactions energy: -882.446 where: short stacking energy: -394.185 Base-Backbone interact. energy: -2.407 local terms energy: -514.949215 where: bonds (distance) C4'-P energy: -120.334 bonds (distance) P-C4' energy: -130.644 flat angles C4'-P-C4' energy: -120.799 flat angles P-C4'-P energy: -69.845 tors. eta vs tors. theta energy: -73.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1140.689453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.689453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.689453 (E_RNA) where: Base-Base interactions energy: -684.980 where: short stacking energy: -332.370 Base-Backbone interact. energy: 3.340 local terms energy: -459.050025 where: bonds (distance) C4'-P energy: -118.679 bonds (distance) P-C4' energy: -120.387 flat angles C4'-P-C4' energy: -124.097 flat angles P-C4'-P energy: -64.276 tors. eta vs tors. theta energy: -31.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -728.014535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.014535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.014535 (E_RNA) where: Base-Base interactions energy: -359.708 where: short stacking energy: -210.251 Base-Backbone interact. energy: 3.687 local terms energy: -371.993450 where: bonds (distance) C4'-P energy: -94.039 bonds (distance) P-C4' energy: -117.231 flat angles C4'-P-C4' energy: -86.509 flat angles P-C4'-P energy: -68.874 tors. eta vs tors. theta energy: -5.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2584.090018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.090018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.090018 (E_RNA) where: Base-Base interactions energy: -1775.619 where: short stacking energy: -745.788 Base-Backbone interact. energy: -1.745 local terms energy: -806.726025 where: bonds (distance) C4'-P energy: -149.825 bonds (distance) P-C4' energy: -138.334 flat angles C4'-P-C4' energy: -171.826 flat angles P-C4'-P energy: -127.653 tors. eta vs tors. theta energy: -219.087 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: 4 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2531.528050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.528050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.528050 (E_RNA) where: Base-Base interactions energy: -1748.859 where: short stacking energy: -749.497 Base-Backbone interact. energy: -3.065 local terms energy: -779.603776 where: bonds (distance) C4'-P energy: -149.462 bonds (distance) P-C4' energy: -154.466 flat angles C4'-P-C4' energy: -154.386 flat angles P-C4'-P energy: -112.230 tors. eta vs tors. theta energy: -209.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2387.061941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.061941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.061941 (E_RNA) where: Base-Base interactions energy: -1682.748 where: short stacking energy: -703.937 Base-Backbone interact. energy: -3.438 local terms energy: -700.875361 where: bonds (distance) C4'-P energy: -132.624 bonds (distance) P-C4' energy: -116.642 flat angles C4'-P-C4' energy: -170.603 flat angles P-C4'-P energy: -102.693 tors. eta vs tors. theta energy: -178.313 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: 7 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2203.864667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.864667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.864667 (E_RNA) where: Base-Base interactions energy: -1518.222 where: short stacking energy: -628.245 Base-Backbone interact. energy: -2.296 local terms energy: -683.346891 where: bonds (distance) C4'-P energy: -129.160 bonds (distance) P-C4' energy: -141.007 flat angles C4'-P-C4' energy: -143.891 flat angles P-C4'-P energy: -98.435 tors. eta vs tors. theta energy: -170.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2108.777356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.777356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.777356 (E_RNA) where: Base-Base interactions energy: -1444.714 where: short stacking energy: -597.431 Base-Backbone interact. energy: -3.591 local terms energy: -660.471724 where: bonds (distance) C4'-P energy: -140.560 bonds (distance) P-C4' energy: -124.764 flat angles C4'-P-C4' energy: -143.047 flat angles P-C4'-P energy: -96.868 tors. eta vs tors. theta energy: -155.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1887.537144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.537144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.537144 (E_RNA) where: Base-Base interactions energy: -1212.345 where: short stacking energy: -574.354 Base-Backbone interact. energy: -0.431 local terms energy: -674.760481 where: bonds (distance) C4'-P energy: -140.860 bonds (distance) P-C4' energy: -112.677 flat angles C4'-P-C4' energy: -163.631 flat angles P-C4'-P energy: -100.569 tors. eta vs tors. theta energy: -157.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1743.701812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.701812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.701812 (E_RNA) where: Base-Base interactions energy: -1125.131 where: short stacking energy: -534.903 Base-Backbone interact. energy: -1.962 local terms energy: -616.608773 where: bonds (distance) C4'-P energy: -119.092 bonds (distance) P-C4' energy: -128.524 flat angles C4'-P-C4' energy: -123.362 flat angles P-C4'-P energy: -103.594 tors. eta vs tors. theta energy: -142.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1372.789780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.789780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.789780 (E_RNA) where: Base-Base interactions energy: -856.201 where: short stacking energy: -400.453 Base-Backbone interact. energy: -0.566 local terms energy: -516.022492 where: bonds (distance) C4'-P energy: -118.404 bonds (distance) P-C4' energy: -134.634 flat angles C4'-P-C4' energy: -114.214 flat angles P-C4'-P energy: -75.937 tors. eta vs tors. theta energy: -72.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1112.780959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.780959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.780959 (E_RNA) where: Base-Base interactions energy: -665.775 where: short stacking energy: -325.788 Base-Backbone interact. energy: -2.776 local terms energy: -444.229763 where: bonds (distance) C4'-P energy: -125.016 bonds (distance) P-C4' energy: -114.879 flat angles C4'-P-C4' energy: -108.237 flat angles P-C4'-P energy: -61.503 tors. eta vs tors. theta energy: -34.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -745.785173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.785173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.785173 (E_RNA) where: Base-Base interactions energy: -326.242 where: short stacking energy: -221.308 Base-Backbone interact. energy: 4.450 local terms energy: -423.992650 where: bonds (distance) C4'-P energy: -112.286 bonds (distance) P-C4' energy: -122.714 flat angles C4'-P-C4' energy: -123.532 flat angles P-C4'-P energy: -59.392 tors. eta vs tors. theta energy: -6.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2567.243645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.243645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.243645 (E_RNA) where: Base-Base interactions energy: -1749.775 where: short stacking energy: -775.810 Base-Backbone interact. energy: 0.643 local terms energy: -818.112028 where: bonds (distance) C4'-P energy: -152.172 bonds (distance) P-C4' energy: -147.510 flat angles C4'-P-C4' energy: -175.401 flat angles P-C4'-P energy: -114.653 tors. eta vs tors. theta energy: -228.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2549.240199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.240199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.240199 (E_RNA) where: Base-Base interactions energy: -1772.137 where: short stacking energy: -777.431 Base-Backbone interact. energy: 5.029 local terms energy: -782.131865 where: bonds (distance) C4'-P energy: -140.796 bonds (distance) P-C4' energy: -139.477 flat angles C4'-P-C4' energy: -154.384 flat angles P-C4'-P energy: -116.807 tors. eta vs tors. theta energy: -230.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2357.196028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.196028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.196028 (E_RNA) where: Base-Base interactions energy: -1659.745 where: short stacking energy: -691.315 Base-Backbone interact. energy: -4.030 local terms energy: -693.421070 where: bonds (distance) C4'-P energy: -123.204 bonds (distance) P-C4' energy: -148.499 flat angles C4'-P-C4' energy: -150.803 flat angles P-C4'-P energy: -98.520 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: 4, replica: 7 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2268.552754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.552754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.552754 (E_RNA) where: Base-Base interactions energy: -1492.969 where: short stacking energy: -651.657 Base-Backbone interact. energy: 0.545 local terms energy: -776.129139 where: bonds (distance) C4'-P energy: -167.399 bonds (distance) P-C4' energy: -131.766 flat angles C4'-P-C4' energy: -164.445 flat angles P-C4'-P energy: -108.217 tors. eta vs tors. theta energy: -204.303 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: 3 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2072.471206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.471206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.471206 (E_RNA) where: Base-Base interactions energy: -1388.471 where: short stacking energy: -553.936 Base-Backbone interact. energy: -3.385 local terms energy: -680.614766 where: bonds (distance) C4'-P energy: -139.814 bonds (distance) P-C4' energy: -130.773 flat angles C4'-P-C4' energy: -147.285 flat angles P-C4'-P energy: -103.090 tors. eta vs tors. theta energy: -159.652 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: 10 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1832.008126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.008126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.008126 (E_RNA) where: Base-Base interactions energy: -1178.383 where: short stacking energy: -559.814 Base-Backbone interact. energy: -1.446 local terms energy: -652.179487 where: bonds (distance) C4'-P energy: -138.384 bonds (distance) P-C4' energy: -120.212 flat angles C4'-P-C4' energy: -148.953 flat angles P-C4'-P energy: -94.602 tors. eta vs tors. theta energy: -150.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1738.240824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.240824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.240824 (E_RNA) where: Base-Base interactions energy: -1167.296 where: short stacking energy: -525.898 Base-Backbone interact. energy: 0.326 local terms energy: -571.271393 where: bonds (distance) C4'-P energy: -120.878 bonds (distance) P-C4' energy: -105.327 flat angles C4'-P-C4' energy: -121.205 flat angles P-C4'-P energy: -100.051 tors. eta vs tors. theta energy: -123.811 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: 6 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1352.635451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.635451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.635451 (E_RNA) where: Base-Base interactions energy: -851.069 where: short stacking energy: -382.514 Base-Backbone interact. energy: 0.547 local terms energy: -502.113244 where: bonds (distance) C4'-P energy: -127.145 bonds (distance) P-C4' energy: -117.917 flat angles C4'-P-C4' energy: -131.009 flat angles P-C4'-P energy: -57.863 tors. eta vs tors. theta energy: -68.179 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: 5 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1168.164468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.164468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.164468 (E_RNA) where: Base-Base interactions energy: -698.080 where: short stacking energy: -336.487 Base-Backbone interact. energy: -0.142 local terms energy: -469.942896 where: bonds (distance) C4'-P energy: -135.983 bonds (distance) P-C4' energy: -118.766 flat angles C4'-P-C4' energy: -87.745 flat angles P-C4'-P energy: -80.754 tors. eta vs tors. theta energy: -46.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -743.526335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.526335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.526335 (E_RNA) where: Base-Base interactions energy: -362.626 where: short stacking energy: -237.238 Base-Backbone interact. energy: -2.217 local terms energy: -378.683182 where: bonds (distance) C4'-P energy: -114.627 bonds (distance) P-C4' energy: -129.271 flat angles C4'-P-C4' energy: -89.987 flat angles P-C4'-P energy: -62.507 tors. eta vs tors. theta energy: 17.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2595.778754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.778754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.778754 (E_RNA) where: Base-Base interactions energy: -1794.480 where: short stacking energy: -793.780 Base-Backbone interact. energy: 2.113 local terms energy: -803.412019 where: bonds (distance) C4'-P energy: -123.906 bonds (distance) P-C4' energy: -153.736 flat angles C4'-P-C4' energy: -167.796 flat angles P-C4'-P energy: -121.367 tors. eta vs tors. theta energy: -236.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2509.096469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.096469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.096469 (E_RNA) where: Base-Base interactions energy: -1719.721 where: short stacking energy: -740.066 Base-Backbone interact. energy: -0.676 local terms energy: -788.699180 where: bonds (distance) C4'-P energy: -144.160 bonds (distance) P-C4' energy: -133.728 flat angles C4'-P-C4' energy: -157.120 flat angles P-C4'-P energy: -123.649 tors. eta vs tors. theta energy: -230.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2406.627646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.627646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.627646 (E_RNA) where: Base-Base interactions energy: -1683.261 where: short stacking energy: -689.621 Base-Backbone interact. energy: 2.060 local terms energy: -725.426830 where: bonds (distance) C4'-P energy: -145.836 bonds (distance) P-C4' energy: -139.930 flat angles C4'-P-C4' energy: -148.711 flat angles P-C4'-P energy: -109.755 tors. eta vs tors. theta energy: -181.194 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: 4, replica: 7 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2195.692374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.692374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.692374 (E_RNA) where: Base-Base interactions energy: -1495.891 where: short stacking energy: -637.670 Base-Backbone interact. energy: -4.573 local terms energy: -695.228430 where: bonds (distance) C4'-P energy: -140.700 bonds (distance) P-C4' energy: -138.526 flat angles C4'-P-C4' energy: -148.528 flat angles P-C4'-P energy: -86.344 tors. eta vs tors. theta energy: -181.131 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: 3 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2023.052968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.052968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.052968 (E_RNA) where: Base-Base interactions energy: -1357.018 where: short stacking energy: -587.780 Base-Backbone interact. energy: -4.463 local terms energy: -661.571981 where: bonds (distance) C4'-P energy: -131.593 bonds (distance) P-C4' energy: -133.769 flat angles C4'-P-C4' energy: -144.898 flat angles P-C4'-P energy: -93.004 tors. eta vs tors. theta energy: -158.307 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: 6, replica: 10 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1843.738733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.738733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.738733 (E_RNA) where: Base-Base interactions energy: -1200.201 where: short stacking energy: -518.136 Base-Backbone interact. energy: -3.164 local terms energy: -640.373739 where: bonds (distance) C4'-P energy: -130.373 bonds (distance) P-C4' energy: -150.228 flat angles C4'-P-C4' energy: -131.273 flat angles P-C4'-P energy: -95.908 tors. eta vs tors. theta energy: -132.592 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: 7, replica: 2 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1748.154539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.154539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.154539 (E_RNA) where: Base-Base interactions energy: -1134.731 where: short stacking energy: -503.882 Base-Backbone interact. energy: 0.589 local terms energy: -614.012255 where: bonds (distance) C4'-P energy: -123.335 bonds (distance) P-C4' energy: -136.456 flat angles C4'-P-C4' energy: -148.342 flat angles P-C4'-P energy: -98.311 tors. eta vs tors. theta energy: -107.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1350.860262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.860262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.860262 (E_RNA) where: Base-Base interactions energy: -835.774 where: short stacking energy: -411.942 Base-Backbone interact. energy: -1.482 local terms energy: -513.604298 where: bonds (distance) C4'-P energy: -110.396 bonds (distance) P-C4' energy: -133.330 flat angles C4'-P-C4' energy: -131.086 flat angles P-C4'-P energy: -61.798 tors. eta vs tors. theta energy: -76.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1125.264404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.264404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.264404 (E_RNA) where: Base-Base interactions energy: -658.049 where: short stacking energy: -335.564 Base-Backbone interact. energy: -1.357 local terms energy: -465.858806 where: bonds (distance) C4'-P energy: -110.708 bonds (distance) P-C4' energy: -134.989 flat angles C4'-P-C4' energy: -105.132 flat angles P-C4'-P energy: -64.691 tors. eta vs tors. theta energy: -50.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -726.314066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.314066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.314066 (E_RNA) where: Base-Base interactions energy: -338.550 where: short stacking energy: -226.370 Base-Backbone interact. energy: 5.409 local terms energy: -393.173673 where: bonds (distance) C4'-P energy: -110.331 bonds (distance) P-C4' energy: -124.628 flat angles C4'-P-C4' energy: -103.615 flat angles P-C4'-P energy: -60.476 tors. eta vs tors. theta energy: 5.877 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: 4 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2614.470755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.470755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.470755 (E_RNA) where: Base-Base interactions energy: -1812.860 where: short stacking energy: -795.144 Base-Backbone interact. energy: -2.509 local terms energy: -799.101513 where: bonds (distance) C4'-P energy: -146.508 bonds (distance) P-C4' energy: -145.045 flat angles C4'-P-C4' energy: -156.950 flat angles P-C4'-P energy: -123.053 tors. eta vs tors. theta energy: -227.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2475.646847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.646847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.646847 (E_RNA) where: Base-Base interactions energy: -1690.174 where: short stacking energy: -722.707 Base-Backbone interact. energy: -1.700 local terms energy: -783.773066 where: bonds (distance) C4'-P energy: -128.411 bonds (distance) P-C4' energy: -149.768 flat angles C4'-P-C4' energy: -170.746 flat angles P-C4'-P energy: -121.343 tors. eta vs tors. theta energy: -213.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2382.413114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.413114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.413114 (E_RNA) where: Base-Base interactions energy: -1649.230 where: short stacking energy: -668.860 Base-Backbone interact. energy: -5.070 local terms energy: -728.113596 where: bonds (distance) C4'-P energy: -146.266 bonds (distance) P-C4' energy: -140.628 flat angles C4'-P-C4' energy: -153.749 flat angles P-C4'-P energy: -108.953 tors. eta vs tors. theta energy: -178.518 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: 4, replica: 7 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2190.449532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.449532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.449532 (E_RNA) where: Base-Base interactions energy: -1500.069 where: short stacking energy: -671.971 Base-Backbone interact. energy: 0.569 local terms energy: -690.949504 where: bonds (distance) C4'-P energy: -126.815 bonds (distance) P-C4' energy: -149.900 flat angles C4'-P-C4' energy: -138.670 flat angles P-C4'-P energy: -92.577 tors. eta vs tors. theta energy: -182.988 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: 3 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2057.655476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.655476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.655476 (E_RNA) where: Base-Base interactions energy: -1394.131 where: short stacking energy: -598.283 Base-Backbone interact. energy: -0.187 local terms energy: -663.337338 where: bonds (distance) C4'-P energy: -119.885 bonds (distance) P-C4' energy: -140.011 flat angles C4'-P-C4' energy: -157.574 flat angles P-C4'-P energy: -79.551 tors. eta vs tors. theta energy: -166.316 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: 10 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1926.132000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.132000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.132000 (E_RNA) where: Base-Base interactions energy: -1294.743 where: short stacking energy: -563.400 Base-Backbone interact. energy: 1.393 local terms energy: -632.782470 where: bonds (distance) C4'-P energy: -134.185 bonds (distance) P-C4' energy: -129.876 flat angles C4'-P-C4' energy: -120.347 flat angles P-C4'-P energy: -96.270 tors. eta vs tors. theta energy: -152.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1821.581071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.581071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.581071 (E_RNA) where: Base-Base interactions energy: -1232.079 where: short stacking energy: -523.630 Base-Backbone interact. energy: 2.079 local terms energy: -591.581457 where: bonds (distance) C4'-P energy: -123.228 bonds (distance) P-C4' energy: -127.285 flat angles C4'-P-C4' energy: -125.748 flat angles P-C4'-P energy: -88.362 tors. eta vs tors. theta energy: -126.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1442.057344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.057344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.057344 (E_RNA) where: Base-Base interactions energy: -886.143 where: short stacking energy: -394.606 Base-Backbone interact. energy: 3.551 local terms energy: -559.465710 where: bonds (distance) C4'-P energy: -127.818 bonds (distance) P-C4' energy: -128.870 flat angles C4'-P-C4' energy: -142.173 flat angles P-C4'-P energy: -88.282 tors. eta vs tors. theta energy: -72.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1195.212358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.212358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.212358 (E_RNA) where: Base-Base interactions energy: -745.074 where: short stacking energy: -360.790 Base-Backbone interact. energy: -2.871 local terms energy: -447.267254 where: bonds (distance) C4'-P energy: -106.132 bonds (distance) P-C4' energy: -120.646 flat angles C4'-P-C4' energy: -126.300 flat angles P-C4'-P energy: -53.117 tors. eta vs tors. theta energy: -41.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -737.406350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.406350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.406350 (E_RNA) where: Base-Base interactions energy: -350.748 where: short stacking energy: -202.466 Base-Backbone interact. energy: 2.653 local terms energy: -389.311075 where: bonds (distance) C4'-P energy: -117.556 bonds (distance) P-C4' energy: -122.069 flat angles C4'-P-C4' energy: -106.481 flat angles P-C4'-P energy: -56.872 tors. eta vs tors. theta energy: 13.667 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: 4 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2635.728177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.728177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.728177 (E_RNA) where: Base-Base interactions energy: -1816.968 where: short stacking energy: -794.338 Base-Backbone interact. energy: -0.764 local terms energy: -817.996427 where: bonds (distance) C4'-P energy: -149.347 bonds (distance) P-C4' energy: -158.745 flat angles C4'-P-C4' energy: -167.919 flat angles P-C4'-P energy: -102.518 tors. eta vs tors. theta energy: -239.468 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: 8 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2479.878829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.878829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.878829 (E_RNA) where: Base-Base interactions energy: -1702.082 where: short stacking energy: -738.146 Base-Backbone interact. energy: -2.001 local terms energy: -775.796295 where: bonds (distance) C4'-P energy: -136.668 bonds (distance) P-C4' energy: -143.939 flat angles C4'-P-C4' energy: -166.559 flat angles P-C4'-P energy: -110.376 tors. eta vs tors. theta energy: -218.255 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: 1 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2390.824512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.824512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.824512 (E_RNA) where: Base-Base interactions energy: -1679.612 where: short stacking energy: -689.811 Base-Backbone interact. energy: 1.970 local terms energy: -713.182252 where: bonds (distance) C4'-P energy: -131.001 bonds (distance) P-C4' energy: -140.312 flat angles C4'-P-C4' energy: -150.820 flat angles P-C4'-P energy: -107.730 tors. eta vs tors. theta energy: -183.320 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: 7 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2139.286363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.286363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.286363 (E_RNA) where: Base-Base interactions energy: -1441.941 where: short stacking energy: -614.566 Base-Backbone interact. energy: -1.597 local terms energy: -695.748337 where: bonds (distance) C4'-P energy: -137.085 bonds (distance) P-C4' energy: -148.383 flat angles C4'-P-C4' energy: -158.430 flat angles P-C4'-P energy: -88.405 tors. eta vs tors. theta energy: -163.446 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: 3 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1962.462952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.462952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.462952 (E_RNA) where: Base-Base interactions energy: -1325.642 where: short stacking energy: -563.312 Base-Backbone interact. energy: 3.374 local terms energy: -640.195424 where: bonds (distance) C4'-P energy: -124.468 bonds (distance) P-C4' energy: -137.618 flat angles C4'-P-C4' energy: -144.482 flat angles P-C4'-P energy: -96.329 tors. eta vs tors. theta energy: -137.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1963.092689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.092689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.092689 (E_RNA) where: Base-Base interactions energy: -1308.664 where: short stacking energy: -589.964 Base-Backbone interact. energy: -4.341 local terms energy: -650.087706 where: bonds (distance) C4'-P energy: -121.617 bonds (distance) P-C4' energy: -120.878 flat angles C4'-P-C4' energy: -141.494 flat angles P-C4'-P energy: -103.042 tors. eta vs tors. theta energy: -163.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1773.509780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.509780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.509780 (E_RNA) where: Base-Base interactions energy: -1204.198 where: short stacking energy: -516.042 Base-Backbone interact. energy: -3.523 local terms energy: -565.788878 where: bonds (distance) C4'-P energy: -117.683 bonds (distance) P-C4' energy: -120.958 flat angles C4'-P-C4' energy: -129.569 flat angles P-C4'-P energy: -69.491 tors. eta vs tors. theta energy: -128.088 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: 6 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1434.449946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.449946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.449946 (E_RNA) where: Base-Base interactions energy: -924.762 where: short stacking energy: -406.382 Base-Backbone interact. energy: 1.870 local terms energy: -511.557416 where: bonds (distance) C4'-P energy: -100.390 bonds (distance) P-C4' energy: -100.731 flat angles C4'-P-C4' energy: -126.591 flat angles P-C4'-P energy: -92.260 tors. eta vs tors. theta energy: -91.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1271.260636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.260636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.260636 (E_RNA) where: Base-Base interactions energy: -790.096 where: short stacking energy: -367.743 Base-Backbone interact. energy: 7.014 local terms energy: -488.178765 where: bonds (distance) C4'-P energy: -101.321 bonds (distance) P-C4' energy: -131.915 flat angles C4'-P-C4' energy: -117.512 flat angles P-C4'-P energy: -78.800 tors. eta vs tors. theta energy: -58.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -801.408455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.408455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.408455 (E_RNA) where: Base-Base interactions energy: -382.254 where: short stacking energy: -215.317 Base-Backbone interact. energy: -0.188 local terms energy: -418.967089 where: bonds (distance) C4'-P energy: -122.610 bonds (distance) P-C4' energy: -129.282 flat angles C4'-P-C4' energy: -88.910 flat angles P-C4'-P energy: -64.480 tors. eta vs tors. theta energy: -13.685 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: 4 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2656.657839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.657839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.657839 (E_RNA) where: Base-Base interactions energy: -1828.607 where: short stacking energy: -812.323 Base-Backbone interact. energy: -2.355 local terms energy: -825.695926 where: bonds (distance) C4'-P energy: -152.587 bonds (distance) P-C4' energy: -148.496 flat angles C4'-P-C4' energy: -175.870 flat angles P-C4'-P energy: -116.038 tors. eta vs tors. theta energy: -232.704 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: 2, replica: 8 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2503.497572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.497572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.497572 (E_RNA) where: Base-Base interactions energy: -1713.741 where: short stacking energy: -769.929 Base-Backbone interact. energy: -3.921 local terms energy: -785.836363 where: bonds (distance) C4'-P energy: -137.233 bonds (distance) P-C4' energy: -130.681 flat angles C4'-P-C4' energy: -176.066 flat angles P-C4'-P energy: -123.816 tors. eta vs tors. theta energy: -218.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2376.746033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.746033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.746033 (E_RNA) where: Base-Base interactions energy: -1705.722 where: short stacking energy: -686.445 Base-Backbone interact. energy: -4.428 local terms energy: -666.596995 where: bonds (distance) C4'-P energy: -123.055 bonds (distance) P-C4' energy: -125.836 flat angles C4'-P-C4' energy: -153.497 flat angles P-C4'-P energy: -91.529 tors. eta vs tors. theta energy: -172.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2193.389502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.389502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.389502 (E_RNA) where: Base-Base interactions energy: -1504.864 where: short stacking energy: -660.043 Base-Backbone interact. energy: -0.298 local terms energy: -688.227302 where: bonds (distance) C4'-P energy: -125.234 bonds (distance) P-C4' energy: -137.741 flat angles C4'-P-C4' energy: -151.623 flat angles P-C4'-P energy: -86.270 tors. eta vs tors. theta energy: -187.360 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: 3 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2022.008146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.008146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.008146 (E_RNA) where: Base-Base interactions energy: -1373.275 where: short stacking energy: -596.560 Base-Backbone interact. energy: -2.424 local terms energy: -646.309789 where: bonds (distance) C4'-P energy: -114.797 bonds (distance) P-C4' energy: -130.172 flat angles C4'-P-C4' energy: -137.519 flat angles P-C4'-P energy: -99.360 tors. eta vs tors. theta energy: -164.463 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: 10 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1929.279575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.279575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.279575 (E_RNA) where: Base-Base interactions energy: -1257.633 where: short stacking energy: -562.739 Base-Backbone interact. energy: -0.089 local terms energy: -671.557360 where: bonds (distance) C4'-P energy: -137.730 bonds (distance) P-C4' energy: -137.126 flat angles C4'-P-C4' energy: -152.982 flat angles P-C4'-P energy: -82.921 tors. eta vs tors. theta energy: -160.799 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: 7, replica: 2 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1843.236044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.236044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.236044 (E_RNA) where: Base-Base interactions energy: -1218.445 where: short stacking energy: -511.903 Base-Backbone interact. energy: -1.863 local terms energy: -622.928451 where: bonds (distance) C4'-P energy: -136.761 bonds (distance) P-C4' energy: -124.092 flat angles C4'-P-C4' energy: -143.220 flat angles P-C4'-P energy: -84.037 tors. eta vs tors. theta energy: -134.819 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: 6 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1416.568229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.568229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.568229 (E_RNA) where: Base-Base interactions energy: -901.723 where: short stacking energy: -398.951 Base-Backbone interact. energy: -0.553 local terms energy: -514.292255 where: bonds (distance) C4'-P energy: -140.754 bonds (distance) P-C4' energy: -137.199 flat angles C4'-P-C4' energy: -114.165 flat angles P-C4'-P energy: -66.718 tors. eta vs tors. theta energy: -55.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1157.405031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.405031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.405031 (E_RNA) where: Base-Base interactions energy: -676.699 where: short stacking energy: -339.953 Base-Backbone interact. energy: -2.469 local terms energy: -478.236995 where: bonds (distance) C4'-P energy: -117.745 bonds (distance) P-C4' energy: -133.657 flat angles C4'-P-C4' energy: -138.313 flat angles P-C4'-P energy: -41.173 tors. eta vs tors. theta energy: -47.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -758.237619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.237619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.237619 (E_RNA) where: Base-Base interactions energy: -353.213 where: short stacking energy: -175.926 Base-Backbone interact. energy: 5.851 local terms energy: -410.875924 where: bonds (distance) C4'-P energy: -113.304 bonds (distance) P-C4' energy: -128.246 flat angles C4'-P-C4' energy: -101.533 flat angles P-C4'-P energy: -73.890 tors. eta vs tors. theta energy: 6.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2615.067011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.067011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.067011 (E_RNA) where: Base-Base interactions energy: -1783.574 where: short stacking energy: -774.131 Base-Backbone interact. energy: 2.648 local terms energy: -834.140112 where: bonds (distance) C4'-P energy: -159.848 bonds (distance) P-C4' energy: -147.286 flat angles C4'-P-C4' energy: -179.237 flat angles P-C4'-P energy: -118.497 tors. eta vs tors. theta energy: -229.272 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: 8 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2522.372583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.372583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.372583 (E_RNA) where: Base-Base interactions energy: -1731.171 where: short stacking energy: -739.006 Base-Backbone interact. energy: -1.052 local terms energy: -790.149315 where: bonds (distance) C4'-P energy: -161.051 bonds (distance) P-C4' energy: -150.860 flat angles C4'-P-C4' energy: -158.683 flat angles P-C4'-P energy: -99.257 tors. eta vs tors. theta energy: -220.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2366.125048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.125048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.125048 (E_RNA) where: Base-Base interactions energy: -1656.709 where: short stacking energy: -665.022 Base-Backbone interact. energy: -3.150 local terms energy: -706.265891 where: bonds (distance) C4'-P energy: -106.162 bonds (distance) P-C4' energy: -144.276 flat angles C4'-P-C4' energy: -159.705 flat angles P-C4'-P energy: -111.277 tors. eta vs tors. theta energy: -184.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2246.777075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.777075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.777075 (E_RNA) where: Base-Base interactions energy: -1533.293 where: short stacking energy: -687.919 Base-Backbone interact. energy: 1.866 local terms energy: -715.349873 where: bonds (distance) C4'-P energy: -117.084 bonds (distance) P-C4' energy: -121.680 flat angles C4'-P-C4' energy: -171.803 flat angles P-C4'-P energy: -103.096 tors. eta vs tors. theta energy: -201.687 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: 3 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2100.014910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.014910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.014910 (E_RNA) where: Base-Base interactions energy: -1449.473 where: short stacking energy: -619.764 Base-Backbone interact. energy: -3.983 local terms energy: -646.558199 where: bonds (distance) C4'-P energy: -132.633 bonds (distance) P-C4' energy: -131.689 flat angles C4'-P-C4' energy: -118.289 flat angles P-C4'-P energy: -88.908 tors. eta vs tors. theta energy: -175.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1945.293564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.293564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.293564 (E_RNA) where: Base-Base interactions energy: -1287.211 where: short stacking energy: -593.450 Base-Backbone interact. energy: -2.101 local terms energy: -655.981920 where: bonds (distance) C4'-P energy: -119.267 bonds (distance) P-C4' energy: -135.428 flat angles C4'-P-C4' energy: -147.463 flat angles P-C4'-P energy: -93.861 tors. eta vs tors. theta energy: -159.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1838.671848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.671848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.671848 (E_RNA) where: Base-Base interactions energy: -1239.178 where: short stacking energy: -522.539 Base-Backbone interact. energy: -0.422 local terms energy: -599.071663 where: bonds (distance) C4'-P energy: -129.580 bonds (distance) P-C4' energy: -119.698 flat angles C4'-P-C4' energy: -140.606 flat angles P-C4'-P energy: -90.839 tors. eta vs tors. theta energy: -118.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1396.599260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.599260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.599260 (E_RNA) where: Base-Base interactions energy: -894.899 where: short stacking energy: -415.325 Base-Backbone interact. energy: -3.531 local terms energy: -498.169550 where: bonds (distance) C4'-P energy: -114.365 bonds (distance) P-C4' energy: -125.589 flat angles C4'-P-C4' energy: -127.758 flat angles P-C4'-P energy: -58.607 tors. eta vs tors. theta energy: -71.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1110.555700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.555700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.555700 (E_RNA) where: Base-Base interactions energy: -627.200 where: short stacking energy: -325.870 Base-Backbone interact. energy: -1.099 local terms energy: -482.256899 where: bonds (distance) C4'-P energy: -130.490 bonds (distance) P-C4' energy: -127.969 flat angles C4'-P-C4' energy: -123.069 flat angles P-C4'-P energy: -67.713 tors. eta vs tors. theta energy: -33.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -741.995239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.995239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.995239 (E_RNA) where: Base-Base interactions energy: -375.770 where: short stacking energy: -228.703 Base-Backbone interact. energy: 0.568 local terms energy: -366.793192 where: bonds (distance) C4'-P energy: -110.993 bonds (distance) P-C4' energy: -103.407 flat angles C4'-P-C4' energy: -106.057 flat angles P-C4'-P energy: -67.270 tors. eta vs tors. theta energy: 20.934 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: 1, replica: 4 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2600.665873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.665873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.665873 (E_RNA) where: Base-Base interactions energy: -1809.451 where: short stacking energy: -816.585 Base-Backbone interact. energy: -4.304 local terms energy: -786.910338 where: bonds (distance) C4'-P energy: -133.271 bonds (distance) P-C4' energy: -129.836 flat angles C4'-P-C4' energy: -179.506 flat angles P-C4'-P energy: -118.227 tors. eta vs tors. theta energy: -226.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2495.840370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.840370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.840370 (E_RNA) where: Base-Base interactions energy: -1706.997 where: short stacking energy: -731.549 Base-Backbone interact. energy: -2.793 local terms energy: -786.050623 where: bonds (distance) C4'-P energy: -139.964 bonds (distance) P-C4' energy: -159.236 flat angles C4'-P-C4' energy: -156.866 flat angles P-C4'-P energy: -112.620 tors. eta vs tors. theta energy: -217.365 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: 3, replica: 1 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2414.666232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.666232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.666232 (E_RNA) where: Base-Base interactions energy: -1685.042 where: short stacking energy: -715.039 Base-Backbone interact. energy: -8.136 local terms energy: -721.487752 where: bonds (distance) C4'-P energy: -121.699 bonds (distance) P-C4' energy: -148.953 flat angles C4'-P-C4' energy: -148.149 flat angles P-C4'-P energy: -102.268 tors. eta vs tors. theta energy: -200.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2239.412276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.412276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.412276 (E_RNA) where: Base-Base interactions energy: -1511.781 where: short stacking energy: -694.559 Base-Backbone interact. energy: 2.645 local terms energy: -730.276843 where: bonds (distance) C4'-P energy: -134.683 bonds (distance) P-C4' energy: -136.727 flat angles C4'-P-C4' energy: -168.733 flat angles P-C4'-P energy: -88.458 tors. eta vs tors. theta energy: -201.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2104.607790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.607790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.607790 (E_RNA) where: Base-Base interactions energy: -1433.235 where: short stacking energy: -623.635 Base-Backbone interact. energy: -0.093 local terms energy: -671.279861 where: bonds (distance) C4'-P energy: -123.933 bonds (distance) P-C4' energy: -134.517 flat angles C4'-P-C4' energy: -150.080 flat angles P-C4'-P energy: -93.905 tors. eta vs tors. theta energy: -168.846 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: 2 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1897.290742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.290742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.290742 (E_RNA) where: Base-Base interactions energy: -1279.122 where: short stacking energy: -574.299 Base-Backbone interact. energy: 7.990 local terms energy: -626.158767 where: bonds (distance) C4'-P energy: -121.414 bonds (distance) P-C4' energy: -132.164 flat angles C4'-P-C4' energy: -139.261 flat angles P-C4'-P energy: -90.455 tors. eta vs tors. theta energy: -142.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1859.986749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.986749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.986749 (E_RNA) where: Base-Base interactions energy: -1272.901 where: short stacking energy: -580.847 Base-Backbone interact. energy: -1.490 local terms energy: -585.596032 where: bonds (distance) C4'-P energy: -115.483 bonds (distance) P-C4' energy: -114.025 flat angles C4'-P-C4' energy: -133.390 flat angles P-C4'-P energy: -73.913 tors. eta vs tors. theta energy: -148.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1466.874488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.874488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.874488 (E_RNA) where: Base-Base interactions energy: -943.650 where: short stacking energy: -439.218 Base-Backbone interact. energy: 0.347 local terms energy: -523.571754 where: bonds (distance) C4'-P energy: -106.234 bonds (distance) P-C4' energy: -132.453 flat angles C4'-P-C4' energy: -119.393 flat angles P-C4'-P energy: -79.507 tors. eta vs tors. theta energy: -85.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1135.643674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.643674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.643674 (E_RNA) where: Base-Base interactions energy: -692.615 where: short stacking energy: -357.529 Base-Backbone interact. energy: 7.100 local terms energy: -450.127916 where: bonds (distance) C4'-P energy: -105.583 bonds (distance) P-C4' energy: -118.747 flat angles C4'-P-C4' energy: -107.330 flat angles P-C4'-P energy: -65.670 tors. eta vs tors. theta energy: -52.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -751.505860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.505860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.505860 (E_RNA) where: Base-Base interactions energy: -365.540 where: short stacking energy: -189.654 Base-Backbone interact. energy: -0.179 local terms energy: -385.786646 where: bonds (distance) C4'-P energy: -128.335 bonds (distance) P-C4' energy: -101.279 flat angles C4'-P-C4' energy: -102.939 flat angles P-C4'-P energy: -60.144 tors. eta vs tors. theta energy: 6.910 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: 4 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2613.779272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.779272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.779272 (E_RNA) where: Base-Base interactions energy: -1806.394 where: short stacking energy: -780.108 Base-Backbone interact. energy: -3.554 local terms energy: -803.830931 where: bonds (distance) C4'-P energy: -136.837 bonds (distance) P-C4' energy: -161.688 flat angles C4'-P-C4' energy: -166.005 flat angles P-C4'-P energy: -99.726 tors. eta vs tors. theta energy: -239.574 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: 8 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2484.222261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.222261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.222261 (E_RNA) where: Base-Base interactions energy: -1735.523 where: short stacking energy: -743.320 Base-Backbone interact. energy: -1.346 local terms energy: -747.352564 where: bonds (distance) C4'-P energy: -128.281 bonds (distance) P-C4' energy: -122.998 flat angles C4'-P-C4' energy: -169.620 flat angles P-C4'-P energy: -117.754 tors. eta vs tors. theta energy: -208.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2440.127658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.127658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.127658 (E_RNA) where: Base-Base interactions energy: -1744.116 where: short stacking energy: -679.500 Base-Backbone interact. energy: -3.315 local terms energy: -692.696746 where: bonds (distance) C4'-P energy: -129.426 bonds (distance) P-C4' energy: -113.271 flat angles C4'-P-C4' energy: -157.149 flat angles P-C4'-P energy: -108.717 tors. eta vs tors. theta energy: -184.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2224.727055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.727055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.727055 (E_RNA) where: Base-Base interactions energy: -1517.580 where: short stacking energy: -692.027 Base-Backbone interact. energy: 0.251 local terms energy: -707.398059 where: bonds (distance) C4'-P energy: -115.501 bonds (distance) P-C4' energy: -127.986 flat angles C4'-P-C4' energy: -159.497 flat angles P-C4'-P energy: -110.656 tors. eta vs tors. theta energy: -193.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2109.321975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.321975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.321975 (E_RNA) where: Base-Base interactions energy: -1398.142 where: short stacking energy: -607.035 Base-Backbone interact. energy: 2.272 local terms energy: -713.451948 where: bonds (distance) C4'-P energy: -143.550 bonds (distance) P-C4' energy: -126.628 flat angles C4'-P-C4' energy: -150.058 flat angles P-C4'-P energy: -113.018 tors. eta vs tors. theta energy: -180.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1925.290227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.290227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.290227 (E_RNA) where: Base-Base interactions energy: -1317.239 where: short stacking energy: -581.466 Base-Backbone interact. energy: 1.945 local terms energy: -609.995835 where: bonds (distance) C4'-P energy: -120.913 bonds (distance) P-C4' energy: -113.304 flat angles C4'-P-C4' energy: -127.105 flat angles P-C4'-P energy: -109.644 tors. eta vs tors. theta energy: -139.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1817.525217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.525217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.525217 (E_RNA) where: Base-Base interactions energy: -1192.850 where: short stacking energy: -517.902 Base-Backbone interact. energy: 0.072 local terms energy: -624.747269 where: bonds (distance) C4'-P energy: -151.876 bonds (distance) P-C4' energy: -118.172 flat angles C4'-P-C4' energy: -128.561 flat angles P-C4'-P energy: -93.158 tors. eta vs tors. theta energy: -132.979 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: 6 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1504.152960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.152960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.152960 (E_RNA) where: Base-Base interactions energy: -990.394 where: short stacking energy: -436.559 Base-Backbone interact. energy: -1.891 local terms energy: -511.867608 where: bonds (distance) C4'-P energy: -112.304 bonds (distance) P-C4' energy: -119.610 flat angles C4'-P-C4' energy: -110.370 flat angles P-C4'-P energy: -77.995 tors. eta vs tors. theta energy: -91.588 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: 5 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1128.871158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.871158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.871158 (E_RNA) where: Base-Base interactions energy: -655.358 where: short stacking energy: -301.901 Base-Backbone interact. energy: 1.203 local terms energy: -474.715898 where: bonds (distance) C4'-P energy: -127.796 bonds (distance) P-C4' energy: -128.386 flat angles C4'-P-C4' energy: -127.507 flat angles P-C4'-P energy: -67.320 tors. eta vs tors. theta energy: -23.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -716.975054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.975054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.975054 (E_RNA) where: Base-Base interactions energy: -324.673 where: short stacking energy: -200.583 Base-Backbone interact. energy: -0.747 local terms energy: -391.555794 where: bonds (distance) C4'-P energy: -121.889 bonds (distance) P-C4' energy: -132.014 flat angles C4'-P-C4' energy: -85.989 flat angles P-C4'-P energy: -70.365 tors. eta vs tors. theta energy: 18.701 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: 1, replica: 4 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2626.452812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.452812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.452812 (E_RNA) where: Base-Base interactions energy: -1840.216 where: short stacking energy: -805.451 Base-Backbone interact. energy: -3.198 local terms energy: -783.038705 where: bonds (distance) C4'-P energy: -137.589 bonds (distance) P-C4' energy: -140.884 flat angles C4'-P-C4' energy: -166.248 flat angles P-C4'-P energy: -113.727 tors. eta vs tors. theta energy: -224.591 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: 8 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2481.991246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.991246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.991246 (E_RNA) where: Base-Base interactions energy: -1708.381 where: short stacking energy: -727.541 Base-Backbone interact. energy: -1.186 local terms energy: -772.423848 where: bonds (distance) C4'-P energy: -135.175 bonds (distance) P-C4' energy: -152.764 flat angles C4'-P-C4' energy: -168.044 flat angles P-C4'-P energy: -109.519 tors. eta vs tors. theta energy: -206.922 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: 3, replica: 1 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2404.796881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.796881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.796881 (E_RNA) where: Base-Base interactions energy: -1657.925 where: short stacking energy: -687.381 Base-Backbone interact. energy: -4.238 local terms energy: -742.634336 where: bonds (distance) C4'-P energy: -140.502 bonds (distance) P-C4' energy: -150.846 flat angles C4'-P-C4' energy: -148.345 flat angles P-C4'-P energy: -116.546 tors. eta vs tors. theta energy: -186.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2205.335858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.335858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.335858 (E_RNA) where: Base-Base interactions energy: -1483.606 where: short stacking energy: -674.333 Base-Backbone interact. energy: -1.402 local terms energy: -720.327770 where: bonds (distance) C4'-P energy: -139.181 bonds (distance) P-C4' energy: -138.112 flat angles C4'-P-C4' energy: -163.959 flat angles P-C4'-P energy: -86.758 tors. eta vs tors. theta energy: -192.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2073.213408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.213408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.213408 (E_RNA) where: Base-Base interactions energy: -1414.960 where: short stacking energy: -619.521 Base-Backbone interact. energy: -1.378 local terms energy: -656.875293 where: bonds (distance) C4'-P energy: -140.295 bonds (distance) P-C4' energy: -130.701 flat angles C4'-P-C4' energy: -140.530 flat angles P-C4'-P energy: -76.366 tors. eta vs tors. theta energy: -168.983 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: 6, replica: 2 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1833.491618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.491618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.491618 (E_RNA) where: Base-Base interactions energy: -1208.523 where: short stacking energy: -523.318 Base-Backbone interact. energy: 1.186 local terms energy: -626.155141 where: bonds (distance) C4'-P energy: -125.665 bonds (distance) P-C4' energy: -143.505 flat angles C4'-P-C4' energy: -146.571 flat angles P-C4'-P energy: -84.447 tors. eta vs tors. theta energy: -125.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1842.663474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.663474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.663474 (E_RNA) where: Base-Base interactions energy: -1228.323 where: short stacking energy: -545.050 Base-Backbone interact. energy: -2.871 local terms energy: -611.470067 where: bonds (distance) C4'-P energy: -131.662 bonds (distance) P-C4' energy: -121.521 flat angles C4'-P-C4' energy: -128.372 flat angles P-C4'-P energy: -85.058 tors. eta vs tors. theta energy: -144.857 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: 8, replica: 6 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1407.943197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.943197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.943197 (E_RNA) where: Base-Base interactions energy: -887.006 where: short stacking energy: -377.492 Base-Backbone interact. energy: 4.444 local terms energy: -525.380334 where: bonds (distance) C4'-P energy: -128.930 bonds (distance) P-C4' energy: -140.210 flat angles C4'-P-C4' energy: -128.279 flat angles P-C4'-P energy: -67.893 tors. eta vs tors. theta energy: -60.068 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: 5 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1092.690440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.690440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.690440 (E_RNA) where: Base-Base interactions energy: -619.595 where: short stacking energy: -303.318 Base-Backbone interact. energy: 0.360 local terms energy: -473.454568 where: bonds (distance) C4'-P energy: -112.269 bonds (distance) P-C4' energy: -140.910 flat angles C4'-P-C4' energy: -122.974 flat angles P-C4'-P energy: -56.712 tors. eta vs tors. theta energy: -40.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -751.252399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.252399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.252399 (E_RNA) where: Base-Base interactions energy: -364.329 where: short stacking energy: -223.884 Base-Backbone interact. energy: 4.824 local terms energy: -391.747108 where: bonds (distance) C4'-P energy: -100.699 bonds (distance) P-C4' energy: -121.755 flat angles C4'-P-C4' energy: -106.857 flat angles P-C4'-P energy: -59.491 tors. eta vs tors. theta energy: -2.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2623.505642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.505642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.505642 (E_RNA) where: Base-Base interactions energy: -1826.779 where: short stacking energy: -803.951 Base-Backbone interact. energy: 1.558 local terms energy: -798.284477 where: bonds (distance) C4'-P energy: -151.048 bonds (distance) P-C4' energy: -134.221 flat angles C4'-P-C4' energy: -170.280 flat angles P-C4'-P energy: -106.901 tors. eta vs tors. theta energy: -235.834 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: 8 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2491.013559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.013559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.013559 (E_RNA) where: Base-Base interactions energy: -1695.692 where: short stacking energy: -744.594 Base-Backbone interact. energy: -2.249 local terms energy: -793.072668 where: bonds (distance) C4'-P energy: -147.385 bonds (distance) P-C4' energy: -139.037 flat angles C4'-P-C4' energy: -177.364 flat angles P-C4'-P energy: -116.518 tors. eta vs tors. theta energy: -212.769 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: 3, replica: 1 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2419.184381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.184381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.184381 (E_RNA) where: Base-Base interactions energy: -1645.255 where: short stacking energy: -692.347 Base-Backbone interact. energy: -4.332 local terms energy: -769.597594 where: bonds (distance) C4'-P energy: -136.385 bonds (distance) P-C4' energy: -145.615 flat angles C4'-P-C4' energy: -163.164 flat angles P-C4'-P energy: -125.525 tors. eta vs tors. theta energy: -198.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2257.901932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.901932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.901932 (E_RNA) where: Base-Base interactions energy: -1516.308 where: short stacking energy: -669.965 Base-Backbone interact. energy: -1.285 local terms energy: -740.308524 where: bonds (distance) C4'-P energy: -139.214 bonds (distance) P-C4' energy: -139.080 flat angles C4'-P-C4' energy: -160.847 flat angles P-C4'-P energy: -108.259 tors. eta vs tors. theta energy: -192.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2046.319067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.319067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.319067 (E_RNA) where: Base-Base interactions energy: -1380.044 where: short stacking energy: -596.145 Base-Backbone interact. energy: -4.456 local terms energy: -661.819403 where: bonds (distance) C4'-P energy: -128.511 bonds (distance) P-C4' energy: -132.434 flat angles C4'-P-C4' energy: -144.300 flat angles P-C4'-P energy: -93.488 tors. eta vs tors. theta energy: -163.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1909.633304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.633304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.633304 (E_RNA) where: Base-Base interactions energy: -1286.451 where: short stacking energy: -561.538 Base-Backbone interact. energy: -1.325 local terms energy: -621.858176 where: bonds (distance) C4'-P energy: -121.204 bonds (distance) P-C4' energy: -115.398 flat angles C4'-P-C4' energy: -140.979 flat angles P-C4'-P energy: -92.230 tors. eta vs tors. theta energy: -152.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1875.475746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.475746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.475746 (E_RNA) where: Base-Base interactions energy: -1241.830 where: short stacking energy: -550.347 Base-Backbone interact. energy: -4.262 local terms energy: -629.384133 where: bonds (distance) C4'-P energy: -140.224 bonds (distance) P-C4' energy: -114.584 flat angles C4'-P-C4' energy: -141.213 flat angles P-C4'-P energy: -91.510 tors. eta vs tors. theta energy: -141.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1278.174266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.174266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.174266 (E_RNA) where: Base-Base interactions energy: -767.310 where: short stacking energy: -343.632 Base-Backbone interact. energy: -1.600 local terms energy: -509.264461 where: bonds (distance) C4'-P energy: -118.431 bonds (distance) P-C4' energy: -113.410 flat angles C4'-P-C4' energy: -137.243 flat angles P-C4'-P energy: -82.913 tors. eta vs tors. theta energy: -57.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1244.221129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.221129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.221129 (E_RNA) where: Base-Base interactions energy: -746.381 where: short stacking energy: -368.416 Base-Backbone interact. energy: 0.378 local terms energy: -498.217858 where: bonds (distance) C4'-P energy: -125.382 bonds (distance) P-C4' energy: -136.682 flat angles C4'-P-C4' energy: -112.295 flat angles P-C4'-P energy: -64.132 tors. eta vs tors. theta energy: -59.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -754.335787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.335787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.335787 (E_RNA) where: Base-Base interactions energy: -321.678 where: short stacking energy: -175.179 Base-Backbone interact. energy: 2.763 local terms energy: -435.420338 where: bonds (distance) C4'-P energy: -131.968 bonds (distance) P-C4' energy: -146.291 flat angles C4'-P-C4' energy: -102.314 flat angles P-C4'-P energy: -73.655 tors. eta vs tors. theta energy: 18.807 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: 4 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2624.016330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.016330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.016330 (E_RNA) where: Base-Base interactions energy: -1800.936 where: short stacking energy: -804.334 Base-Backbone interact. energy: -0.726 local terms energy: -822.353921 where: bonds (distance) C4'-P energy: -147.005 bonds (distance) P-C4' energy: -154.827 flat angles C4'-P-C4' energy: -166.579 flat angles P-C4'-P energy: -110.065 tors. eta vs tors. theta energy: -243.878 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: 8 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2480.131121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.131121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.131121 (E_RNA) where: Base-Base interactions energy: -1669.908 where: short stacking energy: -740.385 Base-Backbone interact. energy: -1.287 local terms energy: -808.937050 where: bonds (distance) C4'-P energy: -142.573 bonds (distance) P-C4' energy: -151.261 flat angles C4'-P-C4' energy: -174.848 flat angles P-C4'-P energy: -119.735 tors. eta vs tors. theta energy: -220.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2361.306889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.306889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.306889 (E_RNA) where: Base-Base interactions energy: -1637.453 where: short stacking energy: -671.577 Base-Backbone interact. energy: -2.435 local terms energy: -721.418395 where: bonds (distance) C4'-P energy: -123.477 bonds (distance) P-C4' energy: -151.502 flat angles C4'-P-C4' energy: -163.273 flat angles P-C4'-P energy: -99.357 tors. eta vs tors. theta energy: -183.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2229.602840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.602840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.602840 (E_RNA) where: Base-Base interactions energy: -1517.439 where: short stacking energy: -671.381 Base-Backbone interact. energy: -0.787 local terms energy: -711.376842 where: bonds (distance) C4'-P energy: -134.288 bonds (distance) P-C4' energy: -144.902 flat angles C4'-P-C4' energy: -154.849 flat angles P-C4'-P energy: -90.647 tors. eta vs tors. theta energy: -186.690 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: 3 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2040.395288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.395288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.395288 (E_RNA) where: Base-Base interactions energy: -1380.838 where: short stacking energy: -573.886 Base-Backbone interact. energy: -1.324 local terms energy: -658.233889 where: bonds (distance) C4'-P energy: -126.572 bonds (distance) P-C4' energy: -135.440 flat angles C4'-P-C4' energy: -144.061 flat angles P-C4'-P energy: -99.880 tors. eta vs tors. theta energy: -152.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1890.911153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.911153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.911153 (E_RNA) where: Base-Base interactions energy: -1225.774 where: short stacking energy: -546.126 Base-Backbone interact. energy: -4.405 local terms energy: -660.732088 where: bonds (distance) C4'-P energy: -143.633 bonds (distance) P-C4' energy: -135.102 flat angles C4'-P-C4' energy: -147.767 flat angles P-C4'-P energy: -92.777 tors. eta vs tors. theta energy: -141.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1856.743356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.743356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.743356 (E_RNA) where: Base-Base interactions energy: -1264.796 where: short stacking energy: -519.269 Base-Backbone interact. energy: -2.083 local terms energy: -589.863658 where: bonds (distance) C4'-P energy: -119.789 bonds (distance) P-C4' energy: -113.939 flat angles C4'-P-C4' energy: -149.368 flat angles P-C4'-P energy: -77.378 tors. eta vs tors. theta energy: -129.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1339.956986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.956986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.956986 (E_RNA) where: Base-Base interactions energy: -818.701 where: short stacking energy: -393.956 Base-Backbone interact. energy: 0.264 local terms energy: -521.519627 where: bonds (distance) C4'-P energy: -111.458 bonds (distance) P-C4' energy: -137.251 flat angles C4'-P-C4' energy: -129.463 flat angles P-C4'-P energy: -67.057 tors. eta vs tors. theta energy: -76.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1264.534052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.534052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.534052 (E_RNA) where: Base-Base interactions energy: -818.787 where: short stacking energy: -353.677 Base-Backbone interact. energy: 0.411 local terms energy: -446.158063 where: bonds (distance) C4'-P energy: -110.753 bonds (distance) P-C4' energy: -112.190 flat angles C4'-P-C4' energy: -111.187 flat angles P-C4'-P energy: -58.397 tors. eta vs tors. theta energy: -53.632 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: 10, replica: 9 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -683.284555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.284555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.284555 (E_RNA) where: Base-Base interactions energy: -312.263 where: short stacking energy: -194.683 Base-Backbone interact. energy: -0.176 local terms energy: -370.846154 where: bonds (distance) C4'-P energy: -109.856 bonds (distance) P-C4' energy: -139.605 flat angles C4'-P-C4' energy: -86.618 flat angles P-C4'-P energy: -60.800 tors. eta vs tors. theta energy: 26.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2566.015961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.015961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.015961 (E_RNA) where: Base-Base interactions energy: -1759.602 where: short stacking energy: -760.177 Base-Backbone interact. energy: -2.090 local terms energy: -804.324297 where: bonds (distance) C4'-P energy: -156.123 bonds (distance) P-C4' energy: -148.977 flat angles C4'-P-C4' energy: -176.420 flat angles P-C4'-P energy: -105.659 tors. eta vs tors. theta energy: -217.144 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: 8 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2501.136777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.136777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.136777 (E_RNA) where: Base-Base interactions energy: -1699.031 where: short stacking energy: -737.659 Base-Backbone interact. energy: -1.707 local terms energy: -800.398691 where: bonds (distance) C4'-P energy: -142.084 bonds (distance) P-C4' energy: -167.705 flat angles C4'-P-C4' energy: -157.507 flat angles P-C4'-P energy: -109.217 tors. eta vs tors. theta energy: -223.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2390.568977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.568977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.568977 (E_RNA) where: Base-Base interactions energy: -1646.564 where: short stacking energy: -674.492 Base-Backbone interact. energy: -4.502 local terms energy: -739.502618 where: bonds (distance) C4'-P energy: -138.743 bonds (distance) P-C4' energy: -145.061 flat angles C4'-P-C4' energy: -159.794 flat angles P-C4'-P energy: -112.009 tors. eta vs tors. theta energy: -183.896 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: 7 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2252.651699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.651699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.651699 (E_RNA) where: Base-Base interactions energy: -1510.163 where: short stacking energy: -676.930 Base-Backbone interact. energy: -0.557 local terms energy: -741.931702 where: bonds (distance) C4'-P energy: -138.129 bonds (distance) P-C4' energy: -157.038 flat angles C4'-P-C4' energy: -162.367 flat angles P-C4'-P energy: -83.363 tors. eta vs tors. theta energy: -201.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1998.645695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.645695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.645695 (E_RNA) where: Base-Base interactions energy: -1331.547 where: short stacking energy: -576.876 Base-Backbone interact. energy: -3.798 local terms energy: -663.300615 where: bonds (distance) C4'-P energy: -135.650 bonds (distance) P-C4' energy: -139.534 flat angles C4'-P-C4' energy: -138.880 flat angles P-C4'-P energy: -104.742 tors. eta vs tors. theta energy: -144.495 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: 6, replica: 10 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1891.267512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.267512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.267512 (E_RNA) where: Base-Base interactions energy: -1238.800 where: short stacking energy: -553.635 Base-Backbone interact. energy: 0.090 local terms energy: -652.557973 where: bonds (distance) C4'-P energy: -127.077 bonds (distance) P-C4' energy: -133.946 flat angles C4'-P-C4' energy: -138.622 flat angles P-C4'-P energy: -98.686 tors. eta vs tors. theta energy: -154.227 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: 2 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1922.844627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.844627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.844627 (E_RNA) where: Base-Base interactions energy: -1315.080 where: short stacking energy: -584.725 Base-Backbone interact. energy: -1.900 local terms energy: -605.864752 where: bonds (distance) C4'-P energy: -105.924 bonds (distance) P-C4' energy: -119.650 flat angles C4'-P-C4' energy: -138.846 flat angles P-C4'-P energy: -101.225 tors. eta vs tors. theta energy: -140.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1358.298655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.298655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.298655 (E_RNA) where: Base-Base interactions energy: -866.880 where: short stacking energy: -411.281 Base-Backbone interact. energy: -2.969 local terms energy: -488.449205 where: bonds (distance) C4'-P energy: -96.544 bonds (distance) P-C4' energy: -120.683 flat angles C4'-P-C4' energy: -133.044 flat angles P-C4'-P energy: -74.789 tors. eta vs tors. theta energy: -63.390 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: 6 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1384.730424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.730424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.730424 (E_RNA) where: Base-Base interactions energy: -877.712 where: short stacking energy: -391.549 Base-Backbone interact. energy: -1.461 local terms energy: -505.557463 where: bonds (distance) C4'-P energy: -124.795 bonds (distance) P-C4' energy: -115.095 flat angles C4'-P-C4' energy: -119.596 flat angles P-C4'-P energy: -73.988 tors. eta vs tors. theta energy: -72.083 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: 9 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -696.893105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.893105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.893105 (E_RNA) where: Base-Base interactions energy: -329.250 where: short stacking energy: -217.451 Base-Backbone interact. energy: 3.157 local terms energy: -370.800093 where: bonds (distance) C4'-P energy: -112.294 bonds (distance) P-C4' energy: -121.516 flat angles C4'-P-C4' energy: -97.792 flat angles P-C4'-P energy: -53.693 tors. eta vs tors. theta energy: 14.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2616.846279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.846279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.846279 (E_RNA) where: Base-Base interactions energy: -1811.710 where: short stacking energy: -797.410 Base-Backbone interact. energy: -3.221 local terms energy: -801.915254 where: bonds (distance) C4'-P energy: -137.436 bonds (distance) P-C4' energy: -147.325 flat angles C4'-P-C4' energy: -175.345 flat angles P-C4'-P energy: -114.657 tors. eta vs tors. theta energy: -227.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2502.885977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.885977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.885977 (E_RNA) where: Base-Base interactions energy: -1713.668 where: short stacking energy: -738.731 Base-Backbone interact. energy: -0.872 local terms energy: -788.346278 where: bonds (distance) C4'-P energy: -138.316 bonds (distance) P-C4' energy: -154.155 flat angles C4'-P-C4' energy: -156.367 flat angles P-C4'-P energy: -111.261 tors. eta vs tors. theta energy: -228.247 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: 1 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2395.535413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.535413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.535413 (E_RNA) where: Base-Base interactions energy: -1665.441 where: short stacking energy: -695.812 Base-Backbone interact. energy: -2.026 local terms energy: -728.068297 where: bonds (distance) C4'-P energy: -137.050 bonds (distance) P-C4' energy: -126.608 flat angles C4'-P-C4' energy: -162.567 flat angles P-C4'-P energy: -98.096 tors. eta vs tors. theta energy: -203.748 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: 7 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2319.949751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.949751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.949751 (E_RNA) where: Base-Base interactions energy: -1544.766 where: short stacking energy: -695.296 Base-Backbone interact. energy: -1.586 local terms energy: -773.597854 where: bonds (distance) C4'-P energy: -127.060 bonds (distance) P-C4' energy: -157.262 flat angles C4'-P-C4' energy: -162.877 flat angles P-C4'-P energy: -107.102 tors. eta vs tors. theta energy: -219.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2061.175059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.175059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.175059 (E_RNA) where: Base-Base interactions energy: -1379.096 where: short stacking energy: -577.619 Base-Backbone interact. energy: -7.521 local terms energy: -674.557962 where: bonds (distance) C4'-P energy: -125.330 bonds (distance) P-C4' energy: -134.760 flat angles C4'-P-C4' energy: -155.507 flat angles P-C4'-P energy: -94.892 tors. eta vs tors. theta energy: -164.068 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: 2 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1904.686392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.686392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.686392 (E_RNA) where: Base-Base interactions energy: -1278.104 where: short stacking energy: -553.090 Base-Backbone interact. energy: -2.740 local terms energy: -623.842866 where: bonds (distance) C4'-P energy: -116.432 bonds (distance) P-C4' energy: -141.022 flat angles C4'-P-C4' energy: -135.953 flat angles P-C4'-P energy: -84.205 tors. eta vs tors. theta energy: -146.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1850.550131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.550131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.550131 (E_RNA) where: Base-Base interactions energy: -1224.716 where: short stacking energy: -539.874 Base-Backbone interact. energy: -5.913 local terms energy: -619.920774 where: bonds (distance) C4'-P energy: -144.623 bonds (distance) P-C4' energy: -111.341 flat angles C4'-P-C4' energy: -144.919 flat angles P-C4'-P energy: -78.156 tors. eta vs tors. theta energy: -140.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1393.087231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.087231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.087231 (E_RNA) where: Base-Base interactions energy: -884.991 where: short stacking energy: -427.027 Base-Backbone interact. energy: 6.657 local terms energy: -514.753225 where: bonds (distance) C4'-P energy: -123.774 bonds (distance) P-C4' energy: -109.430 flat angles C4'-P-C4' energy: -126.715 flat angles P-C4'-P energy: -85.576 tors. eta vs tors. theta energy: -69.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1281.103299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.103299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.103299 (E_RNA) where: Base-Base interactions energy: -802.515 where: short stacking energy: -358.068 Base-Backbone interact. energy: -1.164 local terms energy: -477.424522 where: bonds (distance) C4'-P energy: -118.380 bonds (distance) P-C4' energy: -117.241 flat angles C4'-P-C4' energy: -109.227 flat angles P-C4'-P energy: -72.599 tors. eta vs tors. theta energy: -59.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -688.397630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.397630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.397630 (E_RNA) where: Base-Base interactions energy: -329.358 where: short stacking energy: -232.007 Base-Backbone interact. energy: 4.871 local terms energy: -363.910948 where: bonds (distance) C4'-P energy: -142.939 bonds (distance) P-C4' energy: -83.088 flat angles C4'-P-C4' energy: -93.767 flat angles P-C4'-P energy: -44.078 tors. eta vs tors. theta energy: -0.038 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: 1, replica: 4 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2568.061057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.061057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.061057 (E_RNA) where: Base-Base interactions energy: -1762.468 where: short stacking energy: -783.182 Base-Backbone interact. energy: -0.087 local terms energy: -805.505961 where: bonds (distance) C4'-P energy: -154.476 bonds (distance) P-C4' energy: -147.755 flat angles C4'-P-C4' energy: -170.330 flat angles P-C4'-P energy: -101.639 tors. eta vs tors. theta energy: -231.307 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: 8 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2507.983650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.983650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.983650 (E_RNA) where: Base-Base interactions energy: -1716.508 where: short stacking energy: -737.279 Base-Backbone interact. energy: -1.375 local terms energy: -790.100732 where: bonds (distance) C4'-P energy: -136.500 bonds (distance) P-C4' energy: -151.902 flat angles C4'-P-C4' energy: -171.760 flat angles P-C4'-P energy: -121.173 tors. eta vs tors. theta energy: -208.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2427.374795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.374795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.374795 (E_RNA) where: Base-Base interactions energy: -1670.317 where: short stacking energy: -699.772 Base-Backbone interact. energy: 1.870 local terms energy: -758.927741 where: bonds (distance) C4'-P energy: -125.769 bonds (distance) P-C4' energy: -161.947 flat angles C4'-P-C4' energy: -168.307 flat angles P-C4'-P energy: -109.875 tors. eta vs tors. theta energy: -193.029 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: 230 Temperature: 1.050000 Total energy: -2245.106418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.106418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.106418 (E_RNA) where: Base-Base interactions energy: -1550.015 where: short stacking energy: -676.987 Base-Backbone interact. energy: -4.536 local terms energy: -690.556114 where: bonds (distance) C4'-P energy: -129.707 bonds (distance) P-C4' energy: -100.132 flat angles C4'-P-C4' energy: -156.583 flat angles P-C4'-P energy: -107.340 tors. eta vs tors. theta energy: -196.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2030.361772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.361772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.361772 (E_RNA) where: Base-Base interactions energy: -1358.211 where: short stacking energy: -613.290 Base-Backbone interact. energy: -2.421 local terms energy: -669.729843 where: bonds (distance) C4'-P energy: -136.464 bonds (distance) P-C4' energy: -142.628 flat angles C4'-P-C4' energy: -136.090 flat angles P-C4'-P energy: -96.126 tors. eta vs tors. theta energy: -158.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1897.286759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.286759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.286759 (E_RNA) where: Base-Base interactions energy: -1266.414 where: short stacking energy: -527.920 Base-Backbone interact. energy: -3.227 local terms energy: -627.645572 where: bonds (distance) C4'-P energy: -141.871 bonds (distance) P-C4' energy: -123.696 flat angles C4'-P-C4' energy: -145.371 flat angles P-C4'-P energy: -92.761 tors. eta vs tors. theta energy: -123.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1788.379566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.379566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.379566 (E_RNA) where: Base-Base interactions energy: -1181.438 where: short stacking energy: -522.268 Base-Backbone interact. energy: -2.169 local terms energy: -604.772674 where: bonds (distance) C4'-P energy: -130.714 bonds (distance) P-C4' energy: -123.710 flat angles C4'-P-C4' energy: -149.190 flat angles P-C4'-P energy: -65.848 tors. eta vs tors. theta energy: -135.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1385.826279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.826279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.826279 (E_RNA) where: Base-Base interactions energy: -851.630 where: short stacking energy: -389.787 Base-Backbone interact. energy: 4.737 local terms energy: -538.933839 where: bonds (distance) C4'-P energy: -127.081 bonds (distance) P-C4' energy: -135.173 flat angles C4'-P-C4' energy: -122.050 flat angles P-C4'-P energy: -85.070 tors. eta vs tors. theta energy: -69.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1250.047943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.047943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.047943 (E_RNA) where: Base-Base interactions energy: -748.832 where: short stacking energy: -368.834 Base-Backbone interact. energy: 0.483 local terms energy: -501.699463 where: bonds (distance) C4'-P energy: -115.556 bonds (distance) P-C4' energy: -128.249 flat angles C4'-P-C4' energy: -126.703 flat angles P-C4'-P energy: -69.073 tors. eta vs tors. theta energy: -62.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -736.629023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.629023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.629023 (E_RNA) where: Base-Base interactions energy: -359.253 where: short stacking energy: -213.254 Base-Backbone interact. energy: -2.559 local terms energy: -374.817020 where: bonds (distance) C4'-P energy: -108.365 bonds (distance) P-C4' energy: -121.848 flat angles C4'-P-C4' energy: -101.610 flat angles P-C4'-P energy: -44.458 tors. eta vs tors. theta energy: 1.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2583.306596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.306596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.306596 (E_RNA) where: Base-Base interactions energy: -1789.536 where: short stacking energy: -766.636 Base-Backbone interact. energy: -2.046 local terms energy: -791.725479 where: bonds (distance) C4'-P energy: -143.720 bonds (distance) P-C4' energy: -153.079 flat angles C4'-P-C4' energy: -159.996 flat angles P-C4'-P energy: -111.057 tors. eta vs tors. theta energy: -223.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2547.815678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.815678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.815678 (E_RNA) where: Base-Base interactions energy: -1740.020 where: short stacking energy: -755.060 Base-Backbone interact. energy: 2.809 local terms energy: -810.604313 where: bonds (distance) C4'-P energy: -152.751 bonds (distance) P-C4' energy: -147.296 flat angles C4'-P-C4' energy: -176.993 flat angles P-C4'-P energy: -112.408 tors. eta vs tors. theta energy: -221.156 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: 1 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2381.029135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.029135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.029135 (E_RNA) where: Base-Base interactions energy: -1651.733 where: short stacking energy: -682.934 Base-Backbone interact. energy: -3.480 local terms energy: -725.815271 where: bonds (distance) C4'-P energy: -132.970 bonds (distance) P-C4' energy: -138.307 flat angles C4'-P-C4' energy: -154.405 flat angles P-C4'-P energy: -109.614 tors. eta vs tors. theta energy: -190.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2302.324204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.324204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.324204 (E_RNA) where: Base-Base interactions energy: -1568.197 where: short stacking energy: -674.537 Base-Backbone interact. energy: -0.223 local terms energy: -733.904282 where: bonds (distance) C4'-P energy: -146.056 bonds (distance) P-C4' energy: -150.579 flat angles C4'-P-C4' energy: -150.902 flat angles P-C4'-P energy: -99.433 tors. eta vs tors. theta energy: -186.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1992.733302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.733302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.733302 (E_RNA) where: Base-Base interactions energy: -1345.209 where: short stacking energy: -559.348 Base-Backbone interact. energy: -0.684 local terms energy: -646.840345 where: bonds (distance) C4'-P energy: -134.315 bonds (distance) P-C4' energy: -132.023 flat angles C4'-P-C4' energy: -130.042 flat angles P-C4'-P energy: -94.311 tors. eta vs tors. theta energy: -156.150 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: 2 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1845.834012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.834012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.834012 (E_RNA) where: Base-Base interactions energy: -1248.671 where: short stacking energy: -541.958 Base-Backbone interact. energy: 1.254 local terms energy: -598.416208 where: bonds (distance) C4'-P energy: -103.313 bonds (distance) P-C4' energy: -133.070 flat angles C4'-P-C4' energy: -144.218 flat angles P-C4'-P energy: -91.423 tors. eta vs tors. theta energy: -126.392 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: 10 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1867.268010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.268010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.268010 (E_RNA) where: Base-Base interactions energy: -1237.851 where: short stacking energy: -549.946 Base-Backbone interact. energy: 0.910 local terms energy: -630.326569 where: bonds (distance) C4'-P energy: -134.640 bonds (distance) P-C4' energy: -132.515 flat angles C4'-P-C4' energy: -132.135 flat angles P-C4'-P energy: -83.431 tors. eta vs tors. theta energy: -147.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1338.644555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.644555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.644555 (E_RNA) where: Base-Base interactions energy: -812.307 where: short stacking energy: -377.718 Base-Backbone interact. energy: -3.979 local terms energy: -522.359304 where: bonds (distance) C4'-P energy: -115.443 bonds (distance) P-C4' energy: -139.791 flat angles C4'-P-C4' energy: -126.998 flat angles P-C4'-P energy: -83.840 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: 6 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1272.812127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.812127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.812127 (E_RNA) where: Base-Base interactions energy: -768.230 where: short stacking energy: -355.078 Base-Backbone interact. energy: -3.166 local terms energy: -501.416192 where: bonds (distance) C4'-P energy: -115.569 bonds (distance) P-C4' energy: -129.597 flat angles C4'-P-C4' energy: -126.957 flat angles P-C4'-P energy: -62.110 tors. eta vs tors. theta energy: -67.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -792.913172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.913172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.913172 (E_RNA) where: Base-Base interactions energy: -369.968 where: short stacking energy: -211.688 Base-Backbone interact. energy: 5.024 local terms energy: -427.969317 where: bonds (distance) C4'-P energy: -103.533 bonds (distance) P-C4' energy: -143.624 flat angles C4'-P-C4' energy: -106.693 flat angles P-C4'-P energy: -88.987 tors. eta vs tors. theta energy: 14.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2644.832410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.832410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.832410 (E_RNA) where: Base-Base interactions energy: -1850.811 where: short stacking energy: -779.794 Base-Backbone interact. energy: -1.954 local terms energy: -792.068011 where: bonds (distance) C4'-P energy: -150.458 bonds (distance) P-C4' energy: -142.529 flat angles C4'-P-C4' energy: -163.753 flat angles P-C4'-P energy: -118.226 tors. eta vs tors. theta energy: -217.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2510.258739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.258739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.258739 (E_RNA) where: Base-Base interactions energy: -1728.037 where: short stacking energy: -730.421 Base-Backbone interact. energy: -3.309 local terms energy: -778.912548 where: bonds (distance) C4'-P energy: -138.929 bonds (distance) P-C4' energy: -149.292 flat angles C4'-P-C4' energy: -153.274 flat angles P-C4'-P energy: -119.070 tors. eta vs tors. theta energy: -218.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2402.658327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.658327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.658327 (E_RNA) where: Base-Base interactions energy: -1658.251 where: short stacking energy: -697.902 Base-Backbone interact. energy: -5.014 local terms energy: -739.394136 where: bonds (distance) C4'-P energy: -160.047 bonds (distance) P-C4' energy: -142.967 flat angles C4'-P-C4' energy: -155.897 flat angles P-C4'-P energy: -102.326 tors. eta vs tors. theta energy: -178.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2264.722635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.722635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.722635 (E_RNA) where: Base-Base interactions energy: -1553.067 where: short stacking energy: -673.540 Base-Backbone interact. energy: -2.143 local terms energy: -709.512142 where: bonds (distance) C4'-P energy: -139.781 bonds (distance) P-C4' energy: -138.912 flat angles C4'-P-C4' energy: -150.120 flat angles P-C4'-P energy: -91.605 tors. eta vs tors. theta energy: -189.095 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: 3 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1988.984867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.984867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.984867 (E_RNA) where: Base-Base interactions energy: -1323.970 where: short stacking energy: -587.513 Base-Backbone interact. energy: 1.332 local terms energy: -666.346239 where: bonds (distance) C4'-P energy: -130.496 bonds (distance) P-C4' energy: -144.644 flat angles C4'-P-C4' energy: -137.212 flat angles P-C4'-P energy: -90.009 tors. eta vs tors. theta energy: -163.985 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: 2 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1844.711570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.711570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.711570 (E_RNA) where: Base-Base interactions energy: -1205.282 where: short stacking energy: -532.061 Base-Backbone interact. energy: -0.587 local terms energy: -638.842468 where: bonds (distance) C4'-P energy: -142.904 bonds (distance) P-C4' energy: -140.758 flat angles C4'-P-C4' energy: -132.569 flat angles P-C4'-P energy: -82.822 tors. eta vs tors. theta energy: -139.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1835.406671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.406671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.406671 (E_RNA) where: Base-Base interactions energy: -1193.673 where: short stacking energy: -536.279 Base-Backbone interact. energy: -2.076 local terms energy: -639.657467 where: bonds (distance) C4'-P energy: -130.944 bonds (distance) P-C4' energy: -138.414 flat angles C4'-P-C4' energy: -140.076 flat angles P-C4'-P energy: -86.475 tors. eta vs tors. theta energy: -143.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1316.773791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.773791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.773791 (E_RNA) where: Base-Base interactions energy: -810.218 where: short stacking energy: -389.799 Base-Backbone interact. energy: 0.004 local terms energy: -506.559978 where: bonds (distance) C4'-P energy: -125.931 bonds (distance) P-C4' energy: -111.490 flat angles C4'-P-C4' energy: -115.405 flat angles P-C4'-P energy: -94.563 tors. eta vs tors. theta energy: -59.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1185.044106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.044106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.044106 (E_RNA) where: Base-Base interactions energy: -718.583 where: short stacking energy: -344.491 Base-Backbone interact. energy: -2.273 local terms energy: -464.188304 where: bonds (distance) C4'-P energy: -121.346 bonds (distance) P-C4' energy: -142.602 flat angles C4'-P-C4' energy: -117.872 flat angles P-C4'-P energy: -53.277 tors. eta vs tors. theta energy: -29.092 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: 9 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -733.481582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.481582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.481582 (E_RNA) where: Base-Base interactions energy: -315.731 where: short stacking energy: -212.271 Base-Backbone interact. energy: -2.606 local terms energy: -415.144308 where: bonds (distance) C4'-P energy: -117.778 bonds (distance) P-C4' energy: -119.000 flat angles C4'-P-C4' energy: -115.720 flat angles P-C4'-P energy: -50.223 tors. eta vs tors. theta energy: -12.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2618.176587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.176587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.176587 (E_RNA) where: Base-Base interactions energy: -1806.765 where: short stacking energy: -776.396 Base-Backbone interact. energy: -2.747 local terms energy: -808.664730 where: bonds (distance) C4'-P energy: -147.098 bonds (distance) P-C4' energy: -158.521 flat angles C4'-P-C4' energy: -167.465 flat angles P-C4'-P energy: -108.531 tors. eta vs tors. theta energy: -227.049 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: 2, replica: 8 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2531.375749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.375749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.375749 (E_RNA) where: Base-Base interactions energy: -1728.696 where: short stacking energy: -752.894 Base-Backbone interact. energy: -0.356 local terms energy: -802.324171 where: bonds (distance) C4'-P energy: -128.784 bonds (distance) P-C4' energy: -151.134 flat angles C4'-P-C4' energy: -166.429 flat angles P-C4'-P energy: -114.718 tors. eta vs tors. theta energy: -241.260 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: 3, replica: 1 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2410.649669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.649669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.649669 (E_RNA) where: Base-Base interactions energy: -1674.418 where: short stacking energy: -696.047 Base-Backbone interact. energy: -0.919 local terms energy: -735.313185 where: bonds (distance) C4'-P energy: -129.722 bonds (distance) P-C4' energy: -133.341 flat angles C4'-P-C4' energy: -165.216 flat angles P-C4'-P energy: -105.794 tors. eta vs tors. theta energy: -201.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2283.357196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.357196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.357196 (E_RNA) where: Base-Base interactions energy: -1554.528 where: short stacking energy: -661.981 Base-Backbone interact. energy: -1.506 local terms energy: -727.323813 where: bonds (distance) C4'-P energy: -137.488 bonds (distance) P-C4' energy: -136.991 flat angles C4'-P-C4' energy: -164.096 flat angles P-C4'-P energy: -94.431 tors. eta vs tors. theta energy: -194.318 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: 233 Temperature: 1.100000 Total energy: -1994.654496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.654496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.654496 (E_RNA) where: Base-Base interactions energy: -1334.367 where: short stacking energy: -603.172 Base-Backbone interact. energy: -1.103 local terms energy: -659.184476 where: bonds (distance) C4'-P energy: -122.051 bonds (distance) P-C4' energy: -131.802 flat angles C4'-P-C4' energy: -149.171 flat angles P-C4'-P energy: -96.615 tors. eta vs tors. theta energy: -159.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1877.391466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.391466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.391466 (E_RNA) where: Base-Base interactions energy: -1240.149 where: short stacking energy: -546.889 Base-Backbone interact. energy: -2.192 local terms energy: -635.050535 where: bonds (distance) C4'-P energy: -142.327 bonds (distance) P-C4' energy: -124.514 flat angles C4'-P-C4' energy: -134.827 flat angles P-C4'-P energy: -91.208 tors. eta vs tors. theta energy: -142.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1800.607084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.607084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.607084 (E_RNA) where: Base-Base interactions energy: -1198.665 where: short stacking energy: -519.013 Base-Backbone interact. energy: -1.709 local terms energy: -600.233717 where: bonds (distance) C4'-P energy: -126.107 bonds (distance) P-C4' energy: -119.826 flat angles C4'-P-C4' energy: -138.098 flat angles P-C4'-P energy: -87.526 tors. eta vs tors. theta energy: -128.676 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: 5 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1361.221687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.221687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.221687 (E_RNA) where: Base-Base interactions energy: -848.560 where: short stacking energy: -396.929 Base-Backbone interact. energy: 2.325 local terms energy: -514.986413 where: bonds (distance) C4'-P energy: -107.138 bonds (distance) P-C4' energy: -128.191 flat angles C4'-P-C4' energy: -123.825 flat angles P-C4'-P energy: -80.102 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: 9, replica: 6 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1273.979214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.979214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.979214 (E_RNA) where: Base-Base interactions energy: -792.197 where: short stacking energy: -348.726 Base-Backbone interact. energy: -3.232 local terms energy: -478.550336 where: bonds (distance) C4'-P energy: -116.497 bonds (distance) P-C4' energy: -107.729 flat angles C4'-P-C4' energy: -122.604 flat angles P-C4'-P energy: -79.673 tors. eta vs tors. theta energy: -52.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -726.364417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.364417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.364417 (E_RNA) where: Base-Base interactions energy: -363.778 where: short stacking energy: -210.867 Base-Backbone interact. energy: -2.390 local terms energy: -360.196026 where: bonds (distance) C4'-P energy: -114.936 bonds (distance) P-C4' energy: -106.473 flat angles C4'-P-C4' energy: -88.327 flat angles P-C4'-P energy: -59.099 tors. eta vs tors. theta energy: 8.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2617.348227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.348227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.348227 (E_RNA) where: Base-Base interactions energy: -1803.210 where: short stacking energy: -750.710 Base-Backbone interact. energy: -1.414 local terms energy: -812.724225 where: bonds (distance) C4'-P energy: -137.465 bonds (distance) P-C4' energy: -153.981 flat angles C4'-P-C4' energy: -168.834 flat angles P-C4'-P energy: -118.384 tors. eta vs tors. theta energy: -234.060 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: 8 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2519.343904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.343904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.343904 (E_RNA) where: Base-Base interactions energy: -1727.165 where: short stacking energy: -768.161 Base-Backbone interact. energy: 1.021 local terms energy: -793.200004 where: bonds (distance) C4'-P energy: -141.327 bonds (distance) P-C4' energy: -151.340 flat angles C4'-P-C4' energy: -163.473 flat angles P-C4'-P energy: -109.618 tors. eta vs tors. theta energy: -227.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2411.296262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.296262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.296262 (E_RNA) where: Base-Base interactions energy: -1668.508 where: short stacking energy: -703.198 Base-Backbone interact. energy: -1.138 local terms energy: -741.650256 where: bonds (distance) C4'-P energy: -141.517 bonds (distance) P-C4' energy: -151.535 flat angles C4'-P-C4' energy: -156.363 flat angles P-C4'-P energy: -97.234 tors. eta vs tors. theta energy: -195.002 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: 7 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2259.802305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.802305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.802305 (E_RNA) where: Base-Base interactions energy: -1531.321 where: short stacking energy: -653.713 Base-Backbone interact. energy: 0.496 local terms energy: -728.977004 where: bonds (distance) C4'-P energy: -142.236 bonds (distance) P-C4' energy: -140.180 flat angles C4'-P-C4' energy: -152.203 flat angles P-C4'-P energy: -105.013 tors. eta vs tors. theta energy: -189.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2026.441853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.441853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.441853 (E_RNA) where: Base-Base interactions energy: -1374.173 where: short stacking energy: -582.207 Base-Backbone interact. energy: -4.285 local terms energy: -647.983849 where: bonds (distance) C4'-P energy: -135.351 bonds (distance) P-C4' energy: -118.065 flat angles C4'-P-C4' energy: -141.076 flat angles P-C4'-P energy: -97.576 tors. eta vs tors. theta energy: -155.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1848.345835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.345835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.345835 (E_RNA) where: Base-Base interactions energy: -1221.691 where: short stacking energy: -525.463 Base-Backbone interact. energy: -0.095 local terms energy: -626.560023 where: bonds (distance) C4'-P energy: -130.376 bonds (distance) P-C4' energy: -133.973 flat angles C4'-P-C4' energy: -145.152 flat angles P-C4'-P energy: -78.604 tors. eta vs tors. theta energy: -138.454 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: 2 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1900.212524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.212524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.212524 (E_RNA) where: Base-Base interactions energy: -1266.369 where: short stacking energy: -564.606 Base-Backbone interact. energy: -0.209 local terms energy: -633.634248 where: bonds (distance) C4'-P energy: -106.091 bonds (distance) P-C4' energy: -116.864 flat angles C4'-P-C4' energy: -143.745 flat angles P-C4'-P energy: -113.963 tors. eta vs tors. theta energy: -152.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1363.715979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.715979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.715979 (E_RNA) where: Base-Base interactions energy: -832.844 where: short stacking energy: -406.277 Base-Backbone interact. energy: 2.883 local terms energy: -533.755239 where: bonds (distance) C4'-P energy: -128.706 bonds (distance) P-C4' energy: -127.177 flat angles C4'-P-C4' energy: -120.411 flat angles P-C4'-P energy: -78.789 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: 6 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1294.191460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.191460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.191460 (E_RNA) where: Base-Base interactions energy: -787.002 where: short stacking energy: -387.949 Base-Backbone interact. energy: -3.942 local terms energy: -503.247088 where: bonds (distance) C4'-P energy: -143.301 bonds (distance) P-C4' energy: -109.651 flat angles C4'-P-C4' energy: -125.000 flat angles P-C4'-P energy: -61.791 tors. eta vs tors. theta energy: -63.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -686.145350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.145350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.145350 (E_RNA) where: Base-Base interactions energy: -269.233 where: short stacking energy: -188.552 Base-Backbone interact. energy: -1.565 local terms energy: -415.347406 where: bonds (distance) C4'-P energy: -114.997 bonds (distance) P-C4' energy: -130.249 flat angles C4'-P-C4' energy: -113.798 flat angles P-C4'-P energy: -66.158 tors. eta vs tors. theta energy: 9.856 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: 1, replica: 4 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2645.459261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.459261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.459261 (E_RNA) where: Base-Base interactions energy: -1854.011 where: short stacking energy: -777.381 Base-Backbone interact. energy: -1.505 local terms energy: -789.942623 where: bonds (distance) C4'-P energy: -129.286 bonds (distance) P-C4' energy: -151.683 flat angles C4'-P-C4' energy: -172.905 flat angles P-C4'-P energy: -107.512 tors. eta vs tors. theta energy: -228.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2526.583384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.583384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.583384 (E_RNA) where: Base-Base interactions energy: -1755.715 where: short stacking energy: -789.514 Base-Backbone interact. energy: -0.276 local terms energy: -770.592697 where: bonds (distance) C4'-P energy: -132.761 bonds (distance) P-C4' energy: -136.234 flat angles C4'-P-C4' energy: -176.691 flat angles P-C4'-P energy: -100.821 tors. eta vs tors. theta energy: -224.085 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: 1 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2408.275860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.275860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.275860 (E_RNA) where: Base-Base interactions energy: -1707.766 where: short stacking energy: -728.168 Base-Backbone interact. energy: -3.405 local terms energy: -697.105580 where: bonds (distance) C4'-P energy: -126.362 bonds (distance) P-C4' energy: -143.724 flat angles C4'-P-C4' energy: -135.211 flat angles P-C4'-P energy: -107.426 tors. eta vs tors. theta energy: -184.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2274.597427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.597427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.597427 (E_RNA) where: Base-Base interactions energy: -1552.000 where: short stacking energy: -650.443 Base-Backbone interact. energy: -2.625 local terms energy: -719.972304 where: bonds (distance) C4'-P energy: -141.522 bonds (distance) P-C4' energy: -138.643 flat angles C4'-P-C4' energy: -151.366 flat angles P-C4'-P energy: -96.638 tors. eta vs tors. theta energy: -191.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2045.271654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.271654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.271654 (E_RNA) where: Base-Base interactions energy: -1366.561 where: short stacking energy: -583.769 Base-Backbone interact. energy: -5.322 local terms energy: -673.388632 where: bonds (distance) C4'-P energy: -123.546 bonds (distance) P-C4' energy: -132.706 flat angles C4'-P-C4' energy: -145.920 flat angles P-C4'-P energy: -106.464 tors. eta vs tors. theta energy: -164.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1885.870135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.870135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.870135 (E_RNA) where: Base-Base interactions energy: -1239.040 where: short stacking energy: -545.384 Base-Backbone interact. energy: 2.453 local terms energy: -649.283711 where: bonds (distance) C4'-P energy: -122.678 bonds (distance) P-C4' energy: -140.811 flat angles C4'-P-C4' energy: -141.502 flat angles P-C4'-P energy: -103.654 tors. eta vs tors. theta energy: -140.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1787.679687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.679687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.679687 (E_RNA) where: Base-Base interactions energy: -1174.469 where: short stacking energy: -516.320 Base-Backbone interact. energy: -2.760 local terms energy: -610.449947 where: bonds (distance) C4'-P energy: -125.566 bonds (distance) P-C4' energy: -127.700 flat angles C4'-P-C4' energy: -149.422 flat angles P-C4'-P energy: -75.258 tors. eta vs tors. theta energy: -132.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1398.645142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.645142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.645142 (E_RNA) where: Base-Base interactions energy: -896.797 where: short stacking energy: -443.363 Base-Backbone interact. energy: 13.204 local terms energy: -515.051658 where: bonds (distance) C4'-P energy: -116.134 bonds (distance) P-C4' energy: -121.312 flat angles C4'-P-C4' energy: -118.656 flat angles P-C4'-P energy: -82.224 tors. eta vs tors. theta energy: -76.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1265.097962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.097962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.097962 (E_RNA) where: Base-Base interactions energy: -784.456 where: short stacking energy: -346.562 Base-Backbone interact. energy: -1.996 local terms energy: -478.645503 where: bonds (distance) C4'-P energy: -106.784 bonds (distance) P-C4' energy: -151.230 flat angles C4'-P-C4' energy: -99.854 flat angles P-C4'-P energy: -75.606 tors. eta vs tors. theta energy: -45.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -699.740652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.740652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.740652 (E_RNA) where: Base-Base interactions energy: -313.446 where: short stacking energy: -201.313 Base-Backbone interact. energy: -0.486 local terms energy: -385.807764 where: bonds (distance) C4'-P energy: -105.360 bonds (distance) P-C4' energy: -131.862 flat angles C4'-P-C4' energy: -103.620 flat angles P-C4'-P energy: -51.191 tors. eta vs tors. theta energy: 6.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2697.069988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.069988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.069988 (E_RNA) where: Base-Base interactions energy: -1868.102 where: short stacking energy: -795.272 Base-Backbone interact. energy: -2.468 local terms energy: -826.500660 where: bonds (distance) C4'-P energy: -150.752 bonds (distance) P-C4' energy: -155.036 flat angles C4'-P-C4' energy: -176.853 flat angles P-C4'-P energy: -114.398 tors. eta vs tors. theta energy: -229.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2549.974940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.974940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.974940 (E_RNA) where: Base-Base interactions energy: -1753.482 where: short stacking energy: -744.351 Base-Backbone interact. energy: -2.955 local terms energy: -793.538414 where: bonds (distance) C4'-P energy: -137.298 bonds (distance) P-C4' energy: -147.607 flat angles C4'-P-C4' energy: -172.654 flat angles P-C4'-P energy: -116.597 tors. eta vs tors. theta energy: -219.382 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: 1 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2411.822686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.822686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.822686 (E_RNA) where: Base-Base interactions energy: -1656.565 where: short stacking energy: -714.251 Base-Backbone interact. energy: -3.186 local terms energy: -752.071946 where: bonds (distance) C4'-P energy: -141.531 bonds (distance) P-C4' energy: -145.448 flat angles C4'-P-C4' energy: -162.722 flat angles P-C4'-P energy: -111.436 tors. eta vs tors. theta energy: -190.935 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: 7 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2296.398486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.398486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.398486 (E_RNA) where: Base-Base interactions energy: -1572.783 where: short stacking energy: -704.233 Base-Backbone interact. energy: -2.582 local terms energy: -721.033382 where: bonds (distance) C4'-P energy: -124.406 bonds (distance) P-C4' energy: -142.348 flat angles C4'-P-C4' energy: -157.235 flat angles P-C4'-P energy: -92.734 tors. eta vs tors. theta energy: -204.310 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: 5, replica: 3 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2023.868854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.868854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.868854 (E_RNA) where: Base-Base interactions energy: -1347.857 where: short stacking energy: -622.102 Base-Backbone interact. energy: 2.882 local terms energy: -678.893446 where: bonds (distance) C4'-P energy: -120.762 bonds (distance) P-C4' energy: -123.357 flat angles C4'-P-C4' energy: -164.677 flat angles P-C4'-P energy: -94.874 tors. eta vs tors. theta energy: -175.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1876.165472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.165472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.165472 (E_RNA) where: Base-Base interactions energy: -1257.016 where: short stacking energy: -525.848 Base-Backbone interact. energy: -0.740 local terms energy: -618.409432 where: bonds (distance) C4'-P energy: -104.997 bonds (distance) P-C4' energy: -137.875 flat angles C4'-P-C4' energy: -147.277 flat angles P-C4'-P energy: -89.190 tors. eta vs tors. theta energy: -139.070 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: 10 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1749.168116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.168116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.168116 (E_RNA) where: Base-Base interactions energy: -1163.630 where: short stacking energy: -519.565 Base-Backbone interact. energy: -2.021 local terms energy: -583.517289 where: bonds (distance) C4'-P energy: -122.305 bonds (distance) P-C4' energy: -121.911 flat angles C4'-P-C4' energy: -134.983 flat angles P-C4'-P energy: -87.339 tors. eta vs tors. theta energy: -116.979 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: 5 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1372.892371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.892371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.892371 (E_RNA) where: Base-Base interactions energy: -816.627 where: short stacking energy: -388.261 Base-Backbone interact. energy: 0.874 local terms energy: -557.139360 where: bonds (distance) C4'-P energy: -129.053 bonds (distance) P-C4' energy: -142.533 flat angles C4'-P-C4' energy: -124.369 flat angles P-C4'-P energy: -95.715 tors. eta vs tors. theta energy: -65.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1328.838685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.838685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.838685 (E_RNA) where: Base-Base interactions energy: -835.728 where: short stacking energy: -369.680 Base-Backbone interact. energy: 9.286 local terms energy: -502.396550 where: bonds (distance) C4'-P energy: -130.782 bonds (distance) P-C4' energy: -103.484 flat angles C4'-P-C4' energy: -133.141 flat angles P-C4'-P energy: -75.163 tors. eta vs tors. theta energy: -59.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -753.723108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.723108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.723108 (E_RNA) where: Base-Base interactions energy: -366.169 where: short stacking energy: -220.547 Base-Backbone interact. energy: 1.850 local terms energy: -389.404233 where: bonds (distance) C4'-P energy: -121.038 bonds (distance) P-C4' energy: -101.348 flat angles C4'-P-C4' energy: -110.514 flat angles P-C4'-P energy: -72.430 tors. eta vs tors. theta energy: 15.925 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: 4 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2667.912680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.912680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.912680 (E_RNA) where: Base-Base interactions energy: -1872.066 where: short stacking energy: -791.189 Base-Backbone interact. energy: -6.089 local terms energy: -789.757500 where: bonds (distance) C4'-P energy: -136.465 bonds (distance) P-C4' energy: -149.807 flat angles C4'-P-C4' energy: -167.728 flat angles P-C4'-P energy: -112.379 tors. eta vs tors. theta energy: -223.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2548.001059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.001059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.001059 (E_RNA) where: Base-Base interactions energy: -1777.855 where: short stacking energy: -757.639 Base-Backbone interact. energy: -0.381 local terms energy: -769.764897 where: bonds (distance) C4'-P energy: -138.998 bonds (distance) P-C4' energy: -138.705 flat angles C4'-P-C4' energy: -172.034 flat angles P-C4'-P energy: -117.244 tors. eta vs tors. theta energy: -202.785 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: 3, replica: 1 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2361.230566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.230566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.230566 (E_RNA) where: Base-Base interactions energy: -1630.423 where: short stacking energy: -687.617 Base-Backbone interact. energy: -3.483 local terms energy: -727.324692 where: bonds (distance) C4'-P energy: -139.700 bonds (distance) P-C4' energy: -138.933 flat angles C4'-P-C4' energy: -157.652 flat angles P-C4'-P energy: -97.254 tors. eta vs tors. theta energy: -193.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2260.644641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.644641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.644641 (E_RNA) where: Base-Base interactions energy: -1548.198 where: short stacking energy: -678.664 Base-Backbone interact. energy: -1.552 local terms energy: -710.894448 where: bonds (distance) C4'-P energy: -127.028 bonds (distance) P-C4' energy: -142.581 flat angles C4'-P-C4' energy: -156.806 flat angles P-C4'-P energy: -96.725 tors. eta vs tors. theta energy: -187.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2094.216379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.216379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.216379 (E_RNA) where: Base-Base interactions energy: -1430.867 where: short stacking energy: -633.961 Base-Backbone interact. energy: -2.085 local terms energy: -661.263902 where: bonds (distance) C4'-P energy: -127.552 bonds (distance) P-C4' energy: -138.010 flat angles C4'-P-C4' energy: -144.066 flat angles P-C4'-P energy: -87.348 tors. eta vs tors. theta energy: -164.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1936.652687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.652687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.652687 (E_RNA) where: Base-Base interactions energy: -1292.123 where: short stacking energy: -577.673 Base-Backbone interact. energy: -0.829 local terms energy: -643.701125 where: bonds (distance) C4'-P energy: -134.752 bonds (distance) P-C4' energy: -119.564 flat angles C4'-P-C4' energy: -156.737 flat angles P-C4'-P energy: -82.711 tors. eta vs tors. theta energy: -149.937 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: 237 Temperature: 1.200000 Total energy: -1767.765694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.765694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.765694 (E_RNA) where: Base-Base interactions energy: -1156.296 where: short stacking energy: -500.046 Base-Backbone interact. energy: -2.717 local terms energy: -608.752582 where: bonds (distance) C4'-P energy: -119.521 bonds (distance) P-C4' energy: -125.067 flat angles C4'-P-C4' energy: -134.897 flat angles P-C4'-P energy: -88.321 tors. eta vs tors. theta energy: -140.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1437.080064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.080064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.080064 (E_RNA) where: Base-Base interactions energy: -959.725 where: short stacking energy: -436.948 Base-Backbone interact. energy: 12.046 local terms energy: -489.401084 where: bonds (distance) C4'-P energy: -98.470 bonds (distance) P-C4' energy: -120.487 flat angles C4'-P-C4' energy: -116.589 flat angles P-C4'-P energy: -80.820 tors. eta vs tors. theta energy: -73.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1261.947439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.947439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.947439 (E_RNA) where: Base-Base interactions energy: -794.707 where: short stacking energy: -341.245 Base-Backbone interact. energy: 5.013 local terms energy: -472.252865 where: bonds (distance) C4'-P energy: -102.693 bonds (distance) P-C4' energy: -128.060 flat angles C4'-P-C4' energy: -119.767 flat angles P-C4'-P energy: -75.789 tors. eta vs tors. theta energy: -45.944 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: 9 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -764.160856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.160856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.160856 (E_RNA) where: Base-Base interactions energy: -370.646 where: short stacking energy: -200.110 Base-Backbone interact. energy: 2.578 local terms energy: -396.092883 where: bonds (distance) C4'-P energy: -109.878 bonds (distance) P-C4' energy: -117.882 flat angles C4'-P-C4' energy: -108.589 flat angles P-C4'-P energy: -61.722 tors. eta vs tors. theta energy: 1.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2655.293838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.293838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.293838 (E_RNA) where: Base-Base interactions energy: -1871.810 where: short stacking energy: -785.988 Base-Backbone interact. energy: -3.824 local terms energy: -779.659807 where: bonds (distance) C4'-P energy: -141.931 bonds (distance) P-C4' energy: -137.382 flat angles C4'-P-C4' energy: -164.615 flat angles P-C4'-P energy: -107.099 tors. eta vs tors. theta energy: -228.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2551.715033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.715033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.715033 (E_RNA) where: Base-Base interactions energy: -1761.020 where: short stacking energy: -745.936 Base-Backbone interact. energy: -0.521 local terms energy: -790.173984 where: bonds (distance) C4'-P energy: -157.869 bonds (distance) P-C4' energy: -147.968 flat angles C4'-P-C4' energy: -168.568 flat angles P-C4'-P energy: -102.884 tors. eta vs tors. theta energy: -212.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2352.177208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.177208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.177208 (E_RNA) where: Base-Base interactions energy: -1639.771 where: short stacking energy: -673.289 Base-Backbone interact. energy: 2.910 local terms energy: -715.316282 where: bonds (distance) C4'-P energy: -136.268 bonds (distance) P-C4' energy: -139.511 flat angles C4'-P-C4' energy: -157.024 flat angles P-C4'-P energy: -109.123 tors. eta vs tors. theta energy: -173.389 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: 7 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2237.547923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.547923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.547923 (E_RNA) where: Base-Base interactions energy: -1482.899 where: short stacking energy: -654.725 Base-Backbone interact. energy: -2.496 local terms energy: -752.152358 where: bonds (distance) C4'-P energy: -148.360 bonds (distance) P-C4' energy: -144.657 flat angles C4'-P-C4' energy: -164.943 flat angles P-C4'-P energy: -102.461 tors. eta vs tors. theta energy: -191.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2071.554787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.554787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.554787 (E_RNA) where: Base-Base interactions energy: -1375.779 where: short stacking energy: -606.070 Base-Backbone interact. energy: 4.643 local terms energy: -700.419019 where: bonds (distance) C4'-P energy: -125.299 bonds (distance) P-C4' energy: -135.945 flat angles C4'-P-C4' energy: -160.524 flat angles P-C4'-P energy: -102.524 tors. eta vs tors. theta energy: -176.127 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: 2 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1951.642847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.642847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.642847 (E_RNA) where: Base-Base interactions energy: -1316.388 where: short stacking energy: -550.315 Base-Backbone interact. energy: -1.869 local terms energy: -633.386033 where: bonds (distance) C4'-P energy: -115.192 bonds (distance) P-C4' energy: -140.676 flat angles C4'-P-C4' energy: -150.481 flat angles P-C4'-P energy: -95.429 tors. eta vs tors. theta energy: -131.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1712.527829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.527829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.527829 (E_RNA) where: Base-Base interactions energy: -1112.824 where: short stacking energy: -522.537 Base-Backbone interact. energy: 0.177 local terms energy: -599.880855 where: bonds (distance) C4'-P energy: -122.191 bonds (distance) P-C4' energy: -128.576 flat angles C4'-P-C4' energy: -142.568 flat angles P-C4'-P energy: -81.911 tors. eta vs tors. theta energy: -124.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1442.446678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.446678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.446678 (E_RNA) where: Base-Base interactions energy: -924.494 where: short stacking energy: -424.256 Base-Backbone interact. energy: 0.879 local terms energy: -518.831359 where: bonds (distance) C4'-P energy: -133.088 bonds (distance) P-C4' energy: -120.799 flat angles C4'-P-C4' energy: -124.562 flat angles P-C4'-P energy: -77.681 tors. eta vs tors. theta energy: -62.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1276.171080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.171080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.171080 (E_RNA) where: Base-Base interactions energy: -770.927 where: short stacking energy: -362.950 Base-Backbone interact. energy: -2.919 local terms energy: -502.325183 where: bonds (distance) C4'-P energy: -131.100 bonds (distance) P-C4' energy: -132.565 flat angles C4'-P-C4' energy: -108.316 flat angles P-C4'-P energy: -54.518 tors. eta vs tors. theta energy: -75.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -757.237351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.237351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.237351 (E_RNA) where: Base-Base interactions energy: -343.284 where: short stacking energy: -245.439 Base-Backbone interact. energy: 5.606 local terms energy: -419.559253 where: bonds (distance) C4'-P energy: -101.642 bonds (distance) P-C4' energy: -121.338 flat angles C4'-P-C4' energy: -124.381 flat angles P-C4'-P energy: -65.660 tors. eta vs tors. theta energy: -6.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2667.599559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.599559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.599559 (E_RNA) where: Base-Base interactions energy: -1862.450 where: short stacking energy: -785.779 Base-Backbone interact. energy: -0.735 local terms energy: -804.414562 where: bonds (distance) C4'-P energy: -133.025 bonds (distance) P-C4' energy: -155.268 flat angles C4'-P-C4' energy: -181.959 flat angles P-C4'-P energy: -106.958 tors. eta vs tors. theta energy: -227.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2545.268225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.268225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.268225 (E_RNA) where: Base-Base interactions energy: -1760.355 where: short stacking energy: -746.459 Base-Backbone interact. energy: -5.115 local terms energy: -779.798720 where: bonds (distance) C4'-P energy: -134.008 bonds (distance) P-C4' energy: -133.764 flat angles C4'-P-C4' energy: -176.750 flat angles P-C4'-P energy: -118.383 tors. eta vs tors. theta energy: -216.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2325.531692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.531692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.531692 (E_RNA) where: Base-Base interactions energy: -1613.992 where: short stacking energy: -686.768 Base-Backbone interact. energy: -0.115 local terms energy: -711.424305 where: bonds (distance) C4'-P energy: -139.331 bonds (distance) P-C4' energy: -129.141 flat angles C4'-P-C4' energy: -161.786 flat angles P-C4'-P energy: -102.928 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: 4, replica: 7 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2235.772689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.772689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.772689 (E_RNA) where: Base-Base interactions energy: -1520.024 where: short stacking energy: -674.416 Base-Backbone interact. energy: -2.554 local terms energy: -713.194366 where: bonds (distance) C4'-P energy: -136.031 bonds (distance) P-C4' energy: -130.877 flat angles C4'-P-C4' energy: -164.365 flat angles P-C4'-P energy: -101.969 tors. eta vs tors. theta energy: -179.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2127.964955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.964955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.964955 (E_RNA) where: Base-Base interactions energy: -1454.222 where: short stacking energy: -610.360 Base-Backbone interact. energy: -2.390 local terms energy: -671.353401 where: bonds (distance) C4'-P energy: -122.695 bonds (distance) P-C4' energy: -139.533 flat angles C4'-P-C4' energy: -146.695 flat angles P-C4'-P energy: -103.024 tors. eta vs tors. theta energy: -159.406 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: 239 Temperature: 1.150000 Total energy: -1920.109069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.109069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.109069 (E_RNA) where: Base-Base interactions energy: -1273.628 where: short stacking energy: -581.718 Base-Backbone interact. energy: -1.770 local terms energy: -644.711288 where: bonds (distance) C4'-P energy: -135.383 bonds (distance) P-C4' energy: -136.523 flat angles C4'-P-C4' energy: -146.731 flat angles P-C4'-P energy: -84.813 tors. eta vs tors. theta energy: -141.261 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: 239 Temperature: 1.200000 Total energy: -1763.423471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.423471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.423471 (E_RNA) where: Base-Base interactions energy: -1133.839 where: short stacking energy: -514.142 Base-Backbone interact. energy: -3.524 local terms energy: -626.060391 where: bonds (distance) C4'-P energy: -132.234 bonds (distance) P-C4' energy: -131.998 flat angles C4'-P-C4' energy: -132.635 flat angles P-C4'-P energy: -82.605 tors. eta vs tors. theta energy: -146.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1463.287740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.287740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.287740 (E_RNA) where: Base-Base interactions energy: -917.154 where: short stacking energy: -422.812 Base-Backbone interact. energy: 0.301 local terms energy: -546.434741 where: bonds (distance) C4'-P energy: -132.963 bonds (distance) P-C4' energy: -130.044 flat angles C4'-P-C4' energy: -116.618 flat angles P-C4'-P energy: -80.835 tors. eta vs tors. theta energy: -85.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1154.127502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.127502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.127502 (E_RNA) where: Base-Base interactions energy: -723.318 where: short stacking energy: -337.174 Base-Backbone interact. energy: -1.435 local terms energy: -429.374687 where: bonds (distance) C4'-P energy: -103.464 bonds (distance) P-C4' energy: -113.596 flat angles C4'-P-C4' energy: -105.085 flat angles P-C4'-P energy: -65.461 tors. eta vs tors. theta energy: -41.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -712.898039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.898039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.898039 (E_RNA) where: Base-Base interactions energy: -323.682 where: short stacking energy: -220.953 Base-Backbone interact. energy: -2.890 local terms energy: -386.326219 where: bonds (distance) C4'-P energy: -126.416 bonds (distance) P-C4' energy: -122.781 flat angles C4'-P-C4' energy: -102.617 flat angles P-C4'-P energy: -50.404 tors. eta vs tors. theta energy: 15.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2632.675251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.675251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.675251 (E_RNA) where: Base-Base interactions energy: -1842.048 where: short stacking energy: -760.102 Base-Backbone interact. energy: -5.453 local terms energy: -785.174387 where: bonds (distance) C4'-P energy: -153.470 bonds (distance) P-C4' energy: -150.157 flat angles C4'-P-C4' energy: -158.513 flat angles P-C4'-P energy: -106.264 tors. eta vs tors. theta energy: -216.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2499.958896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.958896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.958896 (E_RNA) where: Base-Base interactions energy: -1731.033 where: short stacking energy: -746.035 Base-Backbone interact. energy: -1.034 local terms energy: -767.892607 where: bonds (distance) C4'-P energy: -137.589 bonds (distance) P-C4' energy: -139.445 flat angles C4'-P-C4' energy: -169.728 flat angles P-C4'-P energy: -96.619 tors. eta vs tors. theta energy: -224.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2342.571626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.571626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.571626 (E_RNA) where: Base-Base interactions energy: -1610.924 where: short stacking energy: -695.783 Base-Backbone interact. energy: -3.307 local terms energy: -728.340453 where: bonds (distance) C4'-P energy: -138.323 bonds (distance) P-C4' energy: -135.764 flat angles C4'-P-C4' energy: -164.898 flat angles P-C4'-P energy: -99.511 tors. eta vs tors. theta energy: -189.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2271.663169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.663169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.663169 (E_RNA) where: Base-Base interactions energy: -1538.891 where: short stacking energy: -662.114 Base-Backbone interact. energy: -5.442 local terms energy: -727.330335 where: bonds (distance) C4'-P energy: -135.808 bonds (distance) P-C4' energy: -137.571 flat angles C4'-P-C4' energy: -155.285 flat angles P-C4'-P energy: -96.444 tors. eta vs tors. theta energy: -202.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2148.665682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.665682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.665682 (E_RNA) where: Base-Base interactions energy: -1480.282 where: short stacking energy: -638.966 Base-Backbone interact. energy: -3.229 local terms energy: -665.155279 where: bonds (distance) C4'-P energy: -118.663 bonds (distance) P-C4' energy: -120.727 flat angles C4'-P-C4' energy: -147.230 flat angles P-C4'-P energy: -102.058 tors. eta vs tors. theta energy: -176.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1979.031631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.031631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.031631 (E_RNA) where: Base-Base interactions energy: -1353.490 where: short stacking energy: -590.776 Base-Backbone interact. energy: -0.178 local terms energy: -625.363819 where: bonds (distance) C4'-P energy: -110.183 bonds (distance) P-C4' energy: -120.502 flat angles C4'-P-C4' energy: -160.565 flat angles P-C4'-P energy: -84.141 tors. eta vs tors. theta energy: -149.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1744.956434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.956434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.956434 (E_RNA) where: Base-Base interactions energy: -1140.414 where: short stacking energy: -525.612 Base-Backbone interact. energy: -3.313 local terms energy: -601.228872 where: bonds (distance) C4'-P energy: -125.012 bonds (distance) P-C4' energy: -128.571 flat angles C4'-P-C4' energy: -125.368 flat angles P-C4'-P energy: -92.873 tors. eta vs tors. theta energy: -129.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1582.633858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.633858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.633858 (E_RNA) where: Base-Base interactions energy: -1020.673 where: short stacking energy: -468.061 Base-Backbone interact. energy: -1.474 local terms energy: -560.486410 where: bonds (distance) C4'-P energy: -105.349 bonds (distance) P-C4' energy: -140.403 flat angles C4'-P-C4' energy: -120.890 flat angles P-C4'-P energy: -90.257 tors. eta vs tors. theta energy: -103.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1187.351000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.351000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.351000 (E_RNA) where: Base-Base interactions energy: -716.351 where: short stacking energy: -327.418 Base-Backbone interact. energy: -0.424 local terms energy: -470.576251 where: bonds (distance) C4'-P energy: -125.249 bonds (distance) P-C4' energy: -141.867 flat angles C4'-P-C4' energy: -99.888 flat angles P-C4'-P energy: -59.147 tors. eta vs tors. theta energy: -44.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -647.794131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.794131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.794131 (E_RNA) where: Base-Base interactions energy: -307.294 where: short stacking energy: -210.803 Base-Backbone interact. energy: 2.542 local terms energy: -343.041722 where: bonds (distance) C4'-P energy: -108.056 bonds (distance) P-C4' energy: -128.498 flat angles C4'-P-C4' energy: -79.744 flat angles P-C4'-P energy: -55.779 tors. eta vs tors. theta energy: 29.036 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: 4 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2672.717045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.717045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.717045 (E_RNA) where: Base-Base interactions energy: -1857.164 where: short stacking energy: -791.354 Base-Backbone interact. energy: 0.585 local terms energy: -816.138040 where: bonds (distance) C4'-P energy: -155.825 bonds (distance) P-C4' energy: -141.131 flat angles C4'-P-C4' energy: -167.208 flat angles P-C4'-P energy: -116.452 tors. eta vs tors. theta energy: -235.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2480.752065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.752065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.752065 (E_RNA) where: Base-Base interactions energy: -1710.574 where: short stacking energy: -723.272 Base-Backbone interact. energy: 2.454 local terms energy: -772.631682 where: bonds (distance) C4'-P energy: -137.207 bonds (distance) P-C4' energy: -156.116 flat angles C4'-P-C4' energy: -154.157 flat angles P-C4'-P energy: -112.322 tors. eta vs tors. theta energy: -212.830 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: 1 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2338.182371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.182371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.182371 (E_RNA) where: Base-Base interactions energy: -1617.104 where: short stacking energy: -675.841 Base-Backbone interact. energy: -4.153 local terms energy: -716.925635 where: bonds (distance) C4'-P energy: -148.628 bonds (distance) P-C4' energy: -128.603 flat angles C4'-P-C4' energy: -167.456 flat angles P-C4'-P energy: -97.007 tors. eta vs tors. theta energy: -175.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2296.423637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.423637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.423637 (E_RNA) where: Base-Base interactions energy: -1581.780 where: short stacking energy: -691.800 Base-Backbone interact. energy: -1.891 local terms energy: -712.752283 where: bonds (distance) C4'-P energy: -135.468 bonds (distance) P-C4' energy: -138.627 flat angles C4'-P-C4' energy: -152.871 flat angles P-C4'-P energy: -93.722 tors. eta vs tors. theta energy: -192.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2144.668908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.668908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.668908 (E_RNA) where: Base-Base interactions energy: -1447.424 where: short stacking energy: -609.914 Base-Backbone interact. energy: -0.718 local terms energy: -696.527183 where: bonds (distance) C4'-P energy: -129.591 bonds (distance) P-C4' energy: -153.135 flat angles C4'-P-C4' energy: -148.966 flat angles P-C4'-P energy: -97.597 tors. eta vs tors. theta energy: -167.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1946.837087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.837087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.837087 (E_RNA) where: Base-Base interactions energy: -1327.481 where: short stacking energy: -573.233 Base-Backbone interact. energy: -1.294 local terms energy: -618.062208 where: bonds (distance) C4'-P energy: -118.512 bonds (distance) P-C4' energy: -119.591 flat angles C4'-P-C4' energy: -149.391 flat angles P-C4'-P energy: -101.791 tors. eta vs tors. theta energy: -128.778 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: 241 Temperature: 1.200000 Total energy: -1775.711167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.711167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.711167 (E_RNA) where: Base-Base interactions energy: -1162.280 where: short stacking energy: -515.349 Base-Backbone interact. energy: -0.168 local terms energy: -613.263210 where: bonds (distance) C4'-P energy: -117.121 bonds (distance) P-C4' energy: -133.892 flat angles C4'-P-C4' energy: -135.040 flat angles P-C4'-P energy: -100.847 tors. eta vs tors. theta energy: -126.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1591.868728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.868728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.868728 (E_RNA) where: Base-Base interactions energy: -1037.848 where: short stacking energy: -459.132 Base-Backbone interact. energy: -3.817 local terms energy: -550.203982 where: bonds (distance) C4'-P energy: -119.832 bonds (distance) P-C4' energy: -139.410 flat angles C4'-P-C4' energy: -127.070 flat angles P-C4'-P energy: -77.615 tors. eta vs tors. theta energy: -86.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1266.141377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.141377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.141377 (E_RNA) where: Base-Base interactions energy: -785.126 where: short stacking energy: -336.644 Base-Backbone interact. energy: -1.370 local terms energy: -479.646146 where: bonds (distance) C4'-P energy: -113.821 bonds (distance) P-C4' energy: -127.019 flat angles C4'-P-C4' energy: -106.148 flat angles P-C4'-P energy: -74.557 tors. eta vs tors. theta energy: -58.101 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: 9 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -606.416035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.416035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.416035 (E_RNA) where: Base-Base interactions energy: -248.280 where: short stacking energy: -187.937 Base-Backbone interact. energy: 5.005 local terms energy: -363.141512 where: bonds (distance) C4'-P energy: -106.691 bonds (distance) P-C4' energy: -99.660 flat angles C4'-P-C4' energy: -98.636 flat angles P-C4'-P energy: -71.450 tors. eta vs tors. theta energy: 13.296 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: 4 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2678.521811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.521811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.521811 (E_RNA) where: Base-Base interactions energy: -1882.033 where: short stacking energy: -787.466 Base-Backbone interact. energy: -3.581 local terms energy: -792.908012 where: bonds (distance) C4'-P energy: -141.344 bonds (distance) P-C4' energy: -143.370 flat angles C4'-P-C4' energy: -166.317 flat angles P-C4'-P energy: -109.246 tors. eta vs tors. theta energy: -232.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2477.873434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.873434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.873434 (E_RNA) where: Base-Base interactions energy: -1704.572 where: short stacking energy: -750.232 Base-Backbone interact. energy: -0.141 local terms energy: -773.160531 where: bonds (distance) C4'-P energy: -150.145 bonds (distance) P-C4' energy: -145.089 flat angles C4'-P-C4' energy: -164.430 flat angles P-C4'-P energy: -93.536 tors. eta vs tors. theta energy: -219.961 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: 3, replica: 7 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2371.926587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.926587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.926587 (E_RNA) where: Base-Base interactions energy: -1603.882 where: short stacking energy: -713.010 Base-Backbone interact. energy: -3.062 local terms energy: -764.981989 where: bonds (distance) C4'-P energy: -140.883 bonds (distance) P-C4' energy: -138.972 flat angles C4'-P-C4' energy: -175.228 flat angles P-C4'-P energy: -100.629 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: 4, replica: 1 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2258.672053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.672053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.672053 (E_RNA) where: Base-Base interactions energy: -1538.922 where: short stacking energy: -655.569 Base-Backbone interact. energy: -1.650 local terms energy: -718.099884 where: bonds (distance) C4'-P energy: -152.226 bonds (distance) P-C4' energy: -143.528 flat angles C4'-P-C4' energy: -144.866 flat angles P-C4'-P energy: -92.573 tors. eta vs tors. theta energy: -184.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2123.305431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.305431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.305431 (E_RNA) where: Base-Base interactions energy: -1477.238 where: short stacking energy: -627.169 Base-Backbone interact. energy: 0.093 local terms energy: -646.161294 where: bonds (distance) C4'-P energy: -133.209 bonds (distance) P-C4' energy: -119.223 flat angles C4'-P-C4' energy: -143.693 flat angles P-C4'-P energy: -86.708 tors. eta vs tors. theta energy: -163.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1881.684687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.684687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.684687 (E_RNA) where: Base-Base interactions energy: -1245.258 where: short stacking energy: -557.839 Base-Backbone interact. energy: 0.835 local terms energy: -637.262070 where: bonds (distance) C4'-P energy: -117.005 bonds (distance) P-C4' energy: -132.778 flat angles C4'-P-C4' energy: -152.613 flat angles P-C4'-P energy: -91.263 tors. eta vs tors. theta energy: -143.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1798.660372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.660372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.660372 (E_RNA) where: Base-Base interactions energy: -1176.978 where: short stacking energy: -531.648 Base-Backbone interact. energy: -0.642 local terms energy: -621.040209 where: bonds (distance) C4'-P energy: -129.847 bonds (distance) P-C4' energy: -139.713 flat angles C4'-P-C4' energy: -137.999 flat angles P-C4'-P energy: -76.232 tors. eta vs tors. theta energy: -137.249 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: 6 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1571.890423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.890423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.890423 (E_RNA) where: Base-Base interactions energy: -1040.314 where: short stacking energy: -439.738 Base-Backbone interact. energy: 0.396 local terms energy: -531.971824 where: bonds (distance) C4'-P energy: -114.209 bonds (distance) P-C4' energy: -120.346 flat angles C4'-P-C4' energy: -121.649 flat angles P-C4'-P energy: -74.889 tors. eta vs tors. theta energy: -100.879 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: 5 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1233.125574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.125574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.125574 (E_RNA) where: Base-Base interactions energy: -775.170 where: short stacking energy: -360.317 Base-Backbone interact. energy: 3.125 local terms energy: -461.081475 where: bonds (distance) C4'-P energy: -112.836 bonds (distance) P-C4' energy: -124.004 flat angles C4'-P-C4' energy: -105.121 flat angles P-C4'-P energy: -68.694 tors. eta vs tors. theta energy: -50.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -637.192426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.192426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.192426 (E_RNA) where: Base-Base interactions energy: -280.010 where: short stacking energy: -187.766 Base-Backbone interact. energy: 2.188 local terms energy: -359.370167 where: bonds (distance) C4'-P energy: -98.433 bonds (distance) P-C4' energy: -110.873 flat angles C4'-P-C4' energy: -120.523 flat angles P-C4'-P energy: -52.836 tors. eta vs tors. theta energy: 23.294 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: 1, replica: 4 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2667.238713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.238713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.238713 (E_RNA) where: Base-Base interactions energy: -1848.881 where: short stacking energy: -791.109 Base-Backbone interact. energy: -2.974 local terms energy: -815.383422 where: bonds (distance) C4'-P energy: -162.924 bonds (distance) P-C4' energy: -130.977 flat angles C4'-P-C4' energy: -169.143 flat angles P-C4'-P energy: -115.589 tors. eta vs tors. theta energy: -236.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2470.251247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.251247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.251247 (E_RNA) where: Base-Base interactions energy: -1687.087 where: short stacking energy: -725.015 Base-Backbone interact. energy: -3.540 local terms energy: -779.624926 where: bonds (distance) C4'-P energy: -129.077 bonds (distance) P-C4' energy: -152.035 flat angles C4'-P-C4' energy: -167.505 flat angles P-C4'-P energy: -113.603 tors. eta vs tors. theta energy: -217.404 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: 7 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2389.117491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.117491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.117491 (E_RNA) where: Base-Base interactions energy: -1649.993 where: short stacking energy: -719.309 Base-Backbone interact. energy: 0.555 local terms energy: -739.679003 where: bonds (distance) C4'-P energy: -139.908 bonds (distance) P-C4' energy: -132.259 flat angles C4'-P-C4' energy: -155.532 flat angles P-C4'-P energy: -102.341 tors. eta vs tors. theta energy: -209.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2287.290615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.290615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.290615 (E_RNA) where: Base-Base interactions energy: -1574.217 where: short stacking energy: -666.962 Base-Backbone interact. energy: -0.870 local terms energy: -712.203803 where: bonds (distance) C4'-P energy: -128.771 bonds (distance) P-C4' energy: -134.016 flat angles C4'-P-C4' energy: -157.241 flat angles P-C4'-P energy: -112.034 tors. eta vs tors. theta energy: -180.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2133.122688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.122688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.122688 (E_RNA) where: Base-Base interactions energy: -1452.216 where: short stacking energy: -628.084 Base-Backbone interact. energy: 0.991 local terms energy: -681.897934 where: bonds (distance) C4'-P energy: -123.520 bonds (distance) P-C4' energy: -129.962 flat angles C4'-P-C4' energy: -156.159 flat angles P-C4'-P energy: -102.112 tors. eta vs tors. theta energy: -170.144 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: 2 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1858.905843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.905843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.905843 (E_RNA) where: Base-Base interactions energy: -1256.054 where: short stacking energy: -554.651 Base-Backbone interact. energy: 0.603 local terms energy: -603.454953 where: bonds (distance) C4'-P energy: -131.020 bonds (distance) P-C4' energy: -123.431 flat angles C4'-P-C4' energy: -137.783 flat angles P-C4'-P energy: -85.829 tors. eta vs tors. theta energy: -125.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1802.768775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.768775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.768775 (E_RNA) where: Base-Base interactions energy: -1187.597 where: short stacking energy: -517.590 Base-Backbone interact. energy: -0.094 local terms energy: -615.077529 where: bonds (distance) C4'-P energy: -132.470 bonds (distance) P-C4' energy: -125.870 flat angles C4'-P-C4' energy: -142.629 flat angles P-C4'-P energy: -90.286 tors. eta vs tors. theta energy: -123.822 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: 6 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1501.434222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.434222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.434222 (E_RNA) where: Base-Base interactions energy: -963.936 where: short stacking energy: -451.598 Base-Backbone interact. energy: 0.021 local terms energy: -537.518957 where: bonds (distance) C4'-P energy: -116.421 bonds (distance) P-C4' energy: -134.952 flat angles C4'-P-C4' energy: -115.075 flat angles P-C4'-P energy: -69.226 tors. eta vs tors. theta energy: -101.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1183.873410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.873410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.873410 (E_RNA) where: Base-Base interactions energy: -735.680 where: short stacking energy: -368.773 Base-Backbone interact. energy: -1.128 local terms energy: -447.064863 where: bonds (distance) C4'-P energy: -133.051 bonds (distance) P-C4' energy: -118.490 flat angles C4'-P-C4' energy: -94.634 flat angles P-C4'-P energy: -53.885 tors. eta vs tors. theta energy: -47.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -554.712118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.712118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.712118 (E_RNA) where: Base-Base interactions energy: -193.410 where: short stacking energy: -163.926 Base-Backbone interact. energy: 0.129 local terms energy: -361.431426 where: bonds (distance) C4'-P energy: -133.167 bonds (distance) P-C4' energy: -127.829 flat angles C4'-P-C4' energy: -109.332 flat angles P-C4'-P energy: -28.769 tors. eta vs tors. theta energy: 37.667 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: 4 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2641.276176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.276176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.276176 (E_RNA) where: Base-Base interactions energy: -1844.702 where: short stacking energy: -775.929 Base-Backbone interact. energy: -4.904 local terms energy: -791.670528 where: bonds (distance) C4'-P energy: -139.224 bonds (distance) P-C4' energy: -154.774 flat angles C4'-P-C4' energy: -159.119 flat angles P-C4'-P energy: -114.210 tors. eta vs tors. theta energy: -224.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2483.416649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.416649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.416649 (E_RNA) where: Base-Base interactions energy: -1679.649 where: short stacking energy: -751.122 Base-Backbone interact. energy: -3.955 local terms energy: -799.812659 where: bonds (distance) C4'-P energy: -147.581 bonds (distance) P-C4' energy: -148.030 flat angles C4'-P-C4' energy: -169.776 flat angles P-C4'-P energy: -108.175 tors. eta vs tors. theta energy: -226.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2344.482151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.482151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.482151 (E_RNA) where: Base-Base interactions energy: -1610.341 where: short stacking energy: -710.013 Base-Backbone interact. energy: -1.293 local terms energy: -732.848142 where: bonds (distance) C4'-P energy: -130.521 bonds (distance) P-C4' energy: -144.130 flat angles C4'-P-C4' energy: -159.569 flat angles P-C4'-P energy: -94.472 tors. eta vs tors. theta energy: -204.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2303.178604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.178604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.178604 (E_RNA) where: Base-Base interactions energy: -1606.676 where: short stacking energy: -662.805 Base-Backbone interact. energy: -3.069 local terms energy: -693.433678 where: bonds (distance) C4'-P energy: -123.578 bonds (distance) P-C4' energy: -126.669 flat angles C4'-P-C4' energy: -167.436 flat angles P-C4'-P energy: -99.951 tors. eta vs tors. theta energy: -175.801 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: 3 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2194.694154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.694154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.694154 (E_RNA) where: Base-Base interactions energy: -1493.631 where: short stacking energy: -654.856 Base-Backbone interact. energy: -3.157 local terms energy: -697.906500 where: bonds (distance) C4'-P energy: -132.409 bonds (distance) P-C4' energy: -133.204 flat angles C4'-P-C4' energy: -147.909 flat angles P-C4'-P energy: -106.448 tors. eta vs tors. theta energy: -177.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1797.795556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.795556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.795556 (E_RNA) where: Base-Base interactions energy: -1182.270 where: short stacking energy: -508.824 Base-Backbone interact. energy: 0.003 local terms energy: -615.528399 where: bonds (distance) C4'-P energy: -136.449 bonds (distance) P-C4' energy: -128.363 flat angles C4'-P-C4' energy: -131.632 flat angles P-C4'-P energy: -94.570 tors. eta vs tors. theta energy: -124.514 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: 7, replica: 10 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1831.376068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.376068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.376068 (E_RNA) where: Base-Base interactions energy: -1210.434 where: short stacking energy: -527.423 Base-Backbone interact. energy: -0.712 local terms energy: -620.229787 where: bonds (distance) C4'-P energy: -119.092 bonds (distance) P-C4' energy: -141.239 flat angles C4'-P-C4' energy: -138.939 flat angles P-C4'-P energy: -84.520 tors. eta vs tors. theta energy: -136.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1527.169212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.169212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.169212 (E_RNA) where: Base-Base interactions energy: -970.002 where: short stacking energy: -428.193 Base-Backbone interact. energy: -2.250 local terms energy: -554.917641 where: bonds (distance) C4'-P energy: -120.004 bonds (distance) P-C4' energy: -132.768 flat angles C4'-P-C4' energy: -124.028 flat angles P-C4'-P energy: -87.827 tors. eta vs tors. theta energy: -90.291 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: 9, replica: 5 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1188.009986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.009986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.009986 (E_RNA) where: Base-Base interactions energy: -713.418 where: short stacking energy: -385.617 Base-Backbone interact. energy: -3.032 local terms energy: -471.560319 where: bonds (distance) C4'-P energy: -124.184 bonds (distance) P-C4' energy: -96.976 flat angles C4'-P-C4' energy: -106.149 flat angles P-C4'-P energy: -81.665 tors. eta vs tors. theta energy: -62.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -593.963006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.963006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.963006 (E_RNA) where: Base-Base interactions energy: -192.110 where: short stacking energy: -159.405 Base-Backbone interact. energy: -1.772 local terms energy: -400.080988 where: bonds (distance) C4'-P energy: -125.446 bonds (distance) P-C4' energy: -116.758 flat angles C4'-P-C4' energy: -116.898 flat angles P-C4'-P energy: -69.390 tors. eta vs tors. theta energy: 28.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2626.073309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.073309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.073309 (E_RNA) where: Base-Base interactions energy: -1812.424 where: short stacking energy: -769.075 Base-Backbone interact. energy: -7.477 local terms energy: -806.172669 where: bonds (distance) C4'-P energy: -142.209 bonds (distance) P-C4' energy: -149.095 flat angles C4'-P-C4' energy: -180.384 flat angles P-C4'-P energy: -109.789 tors. eta vs tors. theta energy: -224.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2514.636405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.636405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.636405 (E_RNA) where: Base-Base interactions energy: -1704.361 where: short stacking energy: -739.895 Base-Backbone interact. energy: -5.613 local terms energy: -804.662913 where: bonds (distance) C4'-P energy: -142.935 bonds (distance) P-C4' energy: -159.779 flat angles C4'-P-C4' energy: -160.127 flat angles P-C4'-P energy: -116.254 tors. eta vs tors. theta energy: -225.568 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: 7 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2370.496152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.496152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.496152 (E_RNA) where: Base-Base interactions energy: -1614.220 where: short stacking energy: -737.388 Base-Backbone interact. energy: -3.352 local terms energy: -752.924246 where: bonds (distance) C4'-P energy: -136.672 bonds (distance) P-C4' energy: -139.887 flat angles C4'-P-C4' energy: -154.269 flat angles P-C4'-P energy: -103.396 tors. eta vs tors. theta energy: -218.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2292.954967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.954967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.954967 (E_RNA) where: Base-Base interactions energy: -1580.136 where: short stacking energy: -669.249 Base-Backbone interact. energy: -5.336 local terms energy: -707.482978 where: bonds (distance) C4'-P energy: -135.579 bonds (distance) P-C4' energy: -138.633 flat angles C4'-P-C4' energy: -166.171 flat angles P-C4'-P energy: -84.060 tors. eta vs tors. theta energy: -183.040 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: 3 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2101.580038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.580038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.580038 (E_RNA) where: Base-Base interactions energy: -1425.288 where: short stacking energy: -627.060 Base-Backbone interact. energy: 0.819 local terms energy: -677.111062 where: bonds (distance) C4'-P energy: -122.591 bonds (distance) P-C4' energy: -139.266 flat angles C4'-P-C4' energy: -146.818 flat angles P-C4'-P energy: -96.924 tors. eta vs tors. theta energy: -171.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1840.605526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.605526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.605526 (E_RNA) where: Base-Base interactions energy: -1233.475 where: short stacking energy: -513.900 Base-Backbone interact. energy: -3.792 local terms energy: -603.338927 where: bonds (distance) C4'-P energy: -107.949 bonds (distance) P-C4' energy: -138.398 flat angles C4'-P-C4' energy: -145.409 flat angles P-C4'-P energy: -90.316 tors. eta vs tors. theta energy: -121.268 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: 7, replica: 2 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1728.503550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.503550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.503550 (E_RNA) where: Base-Base interactions energy: -1122.662 where: short stacking energy: -475.212 Base-Backbone interact. energy: -2.080 local terms energy: -603.761493 where: bonds (distance) C4'-P energy: -139.279 bonds (distance) P-C4' energy: -122.781 flat angles C4'-P-C4' energy: -133.686 flat angles P-C4'-P energy: -83.472 tors. eta vs tors. theta energy: -124.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1547.642712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.642712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.642712 (E_RNA) where: Base-Base interactions energy: -1018.084 where: short stacking energy: -435.458 Base-Backbone interact. energy: 5.592 local terms energy: -535.150647 where: bonds (distance) C4'-P energy: -125.492 bonds (distance) P-C4' energy: -115.912 flat angles C4'-P-C4' energy: -112.968 flat angles P-C4'-P energy: -78.885 tors. eta vs tors. theta energy: -101.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1217.575556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.575556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.575556 (E_RNA) where: Base-Base interactions energy: -744.835 where: short stacking energy: -336.217 Base-Backbone interact. energy: -1.720 local terms energy: -471.021137 where: bonds (distance) C4'-P energy: -96.970 bonds (distance) P-C4' energy: -126.803 flat angles C4'-P-C4' energy: -124.250 flat angles P-C4'-P energy: -85.180 tors. eta vs tors. theta energy: -37.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -578.635897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.635897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.635897 (E_RNA) where: Base-Base interactions energy: -212.585 where: short stacking energy: -153.271 Base-Backbone interact. energy: 3.664 local terms energy: -369.714665 where: bonds (distance) C4'-P energy: -121.883 bonds (distance) P-C4' energy: -106.625 flat angles C4'-P-C4' energy: -96.776 flat angles P-C4'-P energy: -65.631 tors. eta vs tors. theta energy: 21.200 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: 4 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2635.413615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.413615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.413615 (E_RNA) where: Base-Base interactions energy: -1859.409 where: short stacking energy: -761.811 Base-Backbone interact. energy: -3.582 local terms energy: -772.422628 where: bonds (distance) C4'-P energy: -146.377 bonds (distance) P-C4' energy: -135.072 flat angles C4'-P-C4' energy: -163.372 flat angles P-C4'-P energy: -113.088 tors. eta vs tors. theta energy: -214.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2521.362365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.362365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.362365 (E_RNA) where: Base-Base interactions energy: -1722.549 where: short stacking energy: -735.678 Base-Backbone interact. energy: -1.172 local terms energy: -797.641124 where: bonds (distance) C4'-P energy: -146.631 bonds (distance) P-C4' energy: -162.919 flat angles C4'-P-C4' energy: -165.894 flat angles P-C4'-P energy: -107.866 tors. eta vs tors. theta energy: -214.330 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: 7 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2353.862991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.862991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.862991 (E_RNA) where: Base-Base interactions energy: -1613.100 where: short stacking energy: -721.685 Base-Backbone interact. energy: 0.599 local terms energy: -741.362710 where: bonds (distance) C4'-P energy: -148.743 bonds (distance) P-C4' energy: -140.164 flat angles C4'-P-C4' energy: -150.073 flat angles P-C4'-P energy: -98.489 tors. eta vs tors. theta energy: -203.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2289.196302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.196302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.196302 (E_RNA) where: Base-Base interactions energy: -1600.563 where: short stacking energy: -666.393 Base-Backbone interact. energy: 3.143 local terms energy: -691.775421 where: bonds (distance) C4'-P energy: -133.940 bonds (distance) P-C4' energy: -137.608 flat angles C4'-P-C4' energy: -150.675 flat angles P-C4'-P energy: -88.510 tors. eta vs tors. theta energy: -181.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2148.528817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.528817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.528817 (E_RNA) where: Base-Base interactions energy: -1459.315 where: short stacking energy: -638.212 Base-Backbone interact. energy: -1.936 local terms energy: -687.277558 where: bonds (distance) C4'-P energy: -141.011 bonds (distance) P-C4' energy: -121.666 flat angles C4'-P-C4' energy: -152.672 flat angles P-C4'-P energy: -97.667 tors. eta vs tors. theta energy: -174.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1895.449090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.449090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.449090 (E_RNA) where: Base-Base interactions energy: -1257.193 where: short stacking energy: -546.476 Base-Backbone interact. energy: -1.167 local terms energy: -637.089420 where: bonds (distance) C4'-P energy: -118.093 bonds (distance) P-C4' energy: -148.279 flat angles C4'-P-C4' energy: -140.055 flat angles P-C4'-P energy: -91.310 tors. eta vs tors. theta energy: -139.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1730.945513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.945513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.945513 (E_RNA) where: Base-Base interactions energy: -1153.629 where: short stacking energy: -528.381 Base-Backbone interact. energy: -0.941 local terms energy: -576.375813 where: bonds (distance) C4'-P energy: -117.879 bonds (distance) P-C4' energy: -130.638 flat angles C4'-P-C4' energy: -141.316 flat angles P-C4'-P energy: -65.091 tors. eta vs tors. theta energy: -121.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1557.806007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.806007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.806007 (E_RNA) where: Base-Base interactions energy: -1019.754 where: short stacking energy: -411.339 Base-Backbone interact. energy: -1.090 local terms energy: -536.961312 where: bonds (distance) C4'-P energy: -113.870 bonds (distance) P-C4' energy: -129.723 flat angles C4'-P-C4' energy: -135.932 flat angles P-C4'-P energy: -70.213 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: 5 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1229.090130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.090130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.090130 (E_RNA) where: Base-Base interactions energy: -755.022 where: short stacking energy: -321.809 Base-Backbone interact. energy: 1.568 local terms energy: -475.636087 where: bonds (distance) C4'-P energy: -131.020 bonds (distance) P-C4' energy: -103.621 flat angles C4'-P-C4' energy: -122.384 flat angles P-C4'-P energy: -75.293 tors. eta vs tors. theta energy: -43.317 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: 9 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -572.041963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.041963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.041963 (E_RNA) where: Base-Base interactions energy: -184.800 where: short stacking energy: -140.463 Base-Backbone interact. energy: 0.831 local terms energy: -388.072739 where: bonds (distance) C4'-P energy: -125.581 bonds (distance) P-C4' energy: -133.542 flat angles C4'-P-C4' energy: -106.846 flat angles P-C4'-P energy: -64.714 tors. eta vs tors. theta energy: 42.610 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: 4 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2636.685837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.685837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.685837 (E_RNA) where: Base-Base interactions energy: -1821.630 where: short stacking energy: -763.360 Base-Backbone interact. energy: -6.631 local terms energy: -808.424117 where: bonds (distance) C4'-P energy: -149.893 bonds (distance) P-C4' energy: -159.828 flat angles C4'-P-C4' energy: -162.813 flat angles P-C4'-P energy: -118.232 tors. eta vs tors. theta energy: -217.658 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: 2, replica: 8 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2503.900334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.900334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.900334 (E_RNA) where: Base-Base interactions energy: -1721.290 where: short stacking energy: -738.810 Base-Backbone interact. energy: -3.169 local terms energy: -779.440872 where: bonds (distance) C4'-P energy: -135.769 bonds (distance) P-C4' energy: -142.741 flat angles C4'-P-C4' energy: -158.561 flat angles P-C4'-P energy: -118.597 tors. eta vs tors. theta energy: -223.773 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: 7 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2378.845743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.845743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.845743 (E_RNA) where: Base-Base interactions energy: -1619.925 where: short stacking energy: -716.097 Base-Backbone interact. energy: 1.267 local terms energy: -760.187621 where: bonds (distance) C4'-P energy: -129.625 bonds (distance) P-C4' energy: -149.144 flat angles C4'-P-C4' energy: -162.149 flat angles P-C4'-P energy: -110.470 tors. eta vs tors. theta energy: -208.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2255.065953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.065953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.065953 (E_RNA) where: Base-Base interactions energy: -1568.037 where: short stacking energy: -668.118 Base-Backbone interact. energy: 0.800 local terms energy: -687.828301 where: bonds (distance) C4'-P energy: -139.284 bonds (distance) P-C4' energy: -130.926 flat angles C4'-P-C4' energy: -142.016 flat angles P-C4'-P energy: -97.517 tors. eta vs tors. theta energy: -178.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2159.909470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.909470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.909470 (E_RNA) where: Base-Base interactions energy: -1482.312 where: short stacking energy: -620.441 Base-Backbone interact. energy: -0.450 local terms energy: -677.147465 where: bonds (distance) C4'-P energy: -127.467 bonds (distance) P-C4' energy: -136.046 flat angles C4'-P-C4' energy: -150.843 flat angles P-C4'-P energy: -83.556 tors. eta vs tors. theta energy: -179.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1871.875725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.875725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.875725 (E_RNA) where: Base-Base interactions energy: -1264.649 where: short stacking energy: -543.255 Base-Backbone interact. energy: -3.146 local terms energy: -604.080897 where: bonds (distance) C4'-P energy: -122.326 bonds (distance) P-C4' energy: -124.448 flat angles C4'-P-C4' energy: -142.331 flat angles P-C4'-P energy: -79.253 tors. eta vs tors. theta energy: -135.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1766.258728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.258728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.258728 (E_RNA) where: Base-Base interactions energy: -1152.284 where: short stacking energy: -491.462 Base-Backbone interact. energy: -4.195 local terms energy: -609.779515 where: bonds (distance) C4'-P energy: -133.646 bonds (distance) P-C4' energy: -134.593 flat angles C4'-P-C4' energy: -128.727 flat angles P-C4'-P energy: -91.194 tors. eta vs tors. theta energy: -121.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1543.916995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.916995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.916995 (E_RNA) where: Base-Base interactions energy: -1006.595 where: short stacking energy: -412.981 Base-Backbone interact. energy: -0.482 local terms energy: -536.839911 where: bonds (distance) C4'-P energy: -108.254 bonds (distance) P-C4' energy: -124.330 flat angles C4'-P-C4' energy: -131.858 flat angles P-C4'-P energy: -86.064 tors. eta vs tors. theta energy: -86.335 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: 5 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1134.100262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.100262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.100262 (E_RNA) where: Base-Base interactions energy: -640.598 where: short stacking energy: -318.185 Base-Backbone interact. energy: -2.488 local terms energy: -491.014070 where: bonds (distance) C4'-P energy: -121.622 bonds (distance) P-C4' energy: -149.943 flat angles C4'-P-C4' energy: -116.085 flat angles P-C4'-P energy: -73.059 tors. eta vs tors. theta energy: -30.305 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: 10, replica: 9 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -583.649870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.649870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.649870 (E_RNA) where: Base-Base interactions energy: -222.711 where: short stacking energy: -192.545 Base-Backbone interact. energy: 2.432 local terms energy: -363.370421 where: bonds (distance) C4'-P energy: -108.838 bonds (distance) P-C4' energy: -119.444 flat angles C4'-P-C4' energy: -75.379 flat angles P-C4'-P energy: -74.950 tors. eta vs tors. theta energy: 15.242 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: 4 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2637.649193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.649193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.649193 (E_RNA) where: Base-Base interactions energy: -1821.924 where: short stacking energy: -756.259 Base-Backbone interact. energy: 0.063 local terms energy: -815.788439 where: bonds (distance) C4'-P energy: -149.736 bonds (distance) P-C4' energy: -156.699 flat angles C4'-P-C4' energy: -173.985 flat angles P-C4'-P energy: -115.888 tors. eta vs tors. theta energy: -219.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2496.872285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.872285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.872285 (E_RNA) where: Base-Base interactions energy: -1741.575 where: short stacking energy: -744.026 Base-Backbone interact. energy: -4.319 local terms energy: -750.978278 where: bonds (distance) C4'-P energy: -139.253 bonds (distance) P-C4' energy: -135.161 flat angles C4'-P-C4' energy: -164.195 flat angles P-C4'-P energy: -103.841 tors. eta vs tors. theta energy: -208.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2364.085775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.085775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.085775 (E_RNA) where: Base-Base interactions energy: -1599.600 where: short stacking energy: -706.748 Base-Backbone interact. energy: -3.597 local terms energy: -760.889542 where: bonds (distance) C4'-P energy: -142.477 bonds (distance) P-C4' energy: -145.669 flat angles C4'-P-C4' energy: -152.781 flat angles P-C4'-P energy: -102.557 tors. eta vs tors. theta energy: -217.406 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: 1 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2279.780248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.780248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.780248 (E_RNA) where: Base-Base interactions energy: -1586.612 where: short stacking energy: -666.253 Base-Backbone interact. energy: -1.811 local terms energy: -691.358070 where: bonds (distance) C4'-P energy: -141.263 bonds (distance) P-C4' energy: -133.161 flat angles C4'-P-C4' energy: -156.974 flat angles P-C4'-P energy: -85.270 tors. eta vs tors. theta energy: -174.689 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: 5, replica: 3 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2117.829720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.829720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.829720 (E_RNA) where: Base-Base interactions energy: -1441.299 where: short stacking energy: -624.244 Base-Backbone interact. energy: -3.277 local terms energy: -673.253121 where: bonds (distance) C4'-P energy: -121.121 bonds (distance) P-C4' energy: -132.147 flat angles C4'-P-C4' energy: -156.907 flat angles P-C4'-P energy: -97.812 tors. eta vs tors. theta energy: -165.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1820.871196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.871196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.871196 (E_RNA) where: Base-Base interactions energy: -1216.258 where: short stacking energy: -523.329 Base-Backbone interact. energy: 1.330 local terms energy: -605.944054 where: bonds (distance) C4'-P energy: -124.106 bonds (distance) P-C4' energy: -127.138 flat angles C4'-P-C4' energy: -144.111 flat angles P-C4'-P energy: -88.014 tors. eta vs tors. theta energy: -122.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1759.560622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.560622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.560622 (E_RNA) where: Base-Base interactions energy: -1179.620 where: short stacking energy: -510.150 Base-Backbone interact. energy: 2.160 local terms energy: -582.100397 where: bonds (distance) C4'-P energy: -123.526 bonds (distance) P-C4' energy: -126.473 flat angles C4'-P-C4' energy: -115.869 flat angles P-C4'-P energy: -85.423 tors. eta vs tors. theta energy: -130.811 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: 6 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1590.885455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.885455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.885455 (E_RNA) where: Base-Base interactions energy: -1074.265 where: short stacking energy: -452.353 Base-Backbone interact. energy: -2.276 local terms energy: -514.344415 where: bonds (distance) C4'-P energy: -114.878 bonds (distance) P-C4' energy: -102.675 flat angles C4'-P-C4' energy: -137.604 flat angles P-C4'-P energy: -72.994 tors. eta vs tors. theta energy: -86.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1235.777339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.777339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.777339 (E_RNA) where: Base-Base interactions energy: -767.852 where: short stacking energy: -363.338 Base-Backbone interact. energy: -0.960 local terms energy: -466.965133 where: bonds (distance) C4'-P energy: -121.517 bonds (distance) P-C4' energy: -127.050 flat angles C4'-P-C4' energy: -101.387 flat angles P-C4'-P energy: -74.335 tors. eta vs tors. theta energy: -42.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -540.208379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.208379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.208379 (E_RNA) where: Base-Base interactions energy: -156.667 where: short stacking energy: -123.303 Base-Backbone interact. energy: -2.447 local terms energy: -381.094227 where: bonds (distance) C4'-P energy: -120.313 bonds (distance) P-C4' energy: -134.733 flat angles C4'-P-C4' energy: -107.969 flat angles P-C4'-P energy: -50.661 tors. eta vs tors. theta energy: 32.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2642.775948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.775948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.775948 (E_RNA) where: Base-Base interactions energy: -1833.159 where: short stacking energy: -792.253 Base-Backbone interact. energy: -2.658 local terms energy: -806.958952 where: bonds (distance) C4'-P energy: -152.613 bonds (distance) P-C4' energy: -142.351 flat angles C4'-P-C4' energy: -158.775 flat angles P-C4'-P energy: -131.527 tors. eta vs tors. theta energy: -221.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2527.524963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.524963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.524963 (E_RNA) where: Base-Base interactions energy: -1736.728 where: short stacking energy: -767.433 Base-Backbone interact. energy: -3.897 local terms energy: -786.899923 where: bonds (distance) C4'-P energy: -140.975 bonds (distance) P-C4' energy: -151.516 flat angles C4'-P-C4' energy: -167.538 flat angles P-C4'-P energy: -110.209 tors. eta vs tors. theta energy: -216.662 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: 249 Temperature: 1.000000 Total energy: -2413.856111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.856111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.856111 (E_RNA) where: Base-Base interactions energy: -1658.939 where: short stacking energy: -730.962 Base-Backbone interact. energy: 1.465 local terms energy: -756.382148 where: bonds (distance) C4'-P energy: -133.800 bonds (distance) P-C4' energy: -124.230 flat angles C4'-P-C4' energy: -151.399 flat angles P-C4'-P energy: -120.022 tors. eta vs tors. theta energy: -226.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2307.811776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.811776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.811776 (E_RNA) where: Base-Base interactions energy: -1598.820 where: short stacking energy: -652.787 Base-Backbone interact. energy: -4.474 local terms energy: -704.517685 where: bonds (distance) C4'-P energy: -135.767 bonds (distance) P-C4' energy: -133.337 flat angles C4'-P-C4' energy: -156.146 flat angles P-C4'-P energy: -96.828 tors. eta vs tors. theta energy: -182.440 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: 3 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2138.020671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.020671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.020671 (E_RNA) where: Base-Base interactions energy: -1467.523 where: short stacking energy: -602.588 Base-Backbone interact. energy: -6.078 local terms energy: -664.419358 where: bonds (distance) C4'-P energy: -140.329 bonds (distance) P-C4' energy: -111.433 flat angles C4'-P-C4' energy: -146.427 flat angles P-C4'-P energy: -96.512 tors. eta vs tors. theta energy: -169.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1870.185343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.185343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.185343 (E_RNA) where: Base-Base interactions energy: -1265.283 where: short stacking energy: -537.984 Base-Backbone interact. energy: 2.052 local terms energy: -606.954703 where: bonds (distance) C4'-P energy: -111.928 bonds (distance) P-C4' energy: -135.683 flat angles C4'-P-C4' energy: -148.298 flat angles P-C4'-P energy: -77.078 tors. eta vs tors. theta energy: -133.968 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: 2 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1861.956286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.956286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.956286 (E_RNA) where: Base-Base interactions energy: -1242.162 where: short stacking energy: -543.250 Base-Backbone interact. energy: -1.892 local terms energy: -617.901727 where: bonds (distance) C4'-P energy: -120.693 bonds (distance) P-C4' energy: -123.622 flat angles C4'-P-C4' energy: -147.107 flat angles P-C4'-P energy: -83.941 tors. eta vs tors. theta energy: -142.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1590.405178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.405178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.405178 (E_RNA) where: Base-Base interactions energy: -1074.699 where: short stacking energy: -439.488 Base-Backbone interact. energy: -2.215 local terms energy: -513.490241 where: bonds (distance) C4'-P energy: -126.380 bonds (distance) P-C4' energy: -110.475 flat angles C4'-P-C4' energy: -108.309 flat angles P-C4'-P energy: -84.058 tors. eta vs tors. theta energy: -84.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1250.620458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.620458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.620458 (E_RNA) where: Base-Base interactions energy: -761.906 where: short stacking energy: -378.061 Base-Backbone interact. energy: -0.382 local terms energy: -488.332516 where: bonds (distance) C4'-P energy: -104.307 bonds (distance) P-C4' energy: -123.833 flat angles C4'-P-C4' energy: -113.253 flat angles P-C4'-P energy: -77.506 tors. eta vs tors. theta energy: -69.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -622.357318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.357318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.357318 (E_RNA) where: Base-Base interactions energy: -250.525 where: short stacking energy: -199.506 Base-Backbone interact. energy: 0.537 local terms energy: -372.368642 where: bonds (distance) C4'-P energy: -101.110 bonds (distance) P-C4' energy: -118.047 flat angles C4'-P-C4' energy: -106.946 flat angles P-C4'-P energy: -66.255 tors. eta vs tors. theta energy: 19.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2663.509899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.509899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.509899 (E_RNA) where: Base-Base interactions energy: -1873.187 where: short stacking energy: -802.953 Base-Backbone interact. energy: -2.993 local terms energy: -787.329853 where: bonds (distance) C4'-P energy: -140.315 bonds (distance) P-C4' energy: -151.990 flat angles C4'-P-C4' energy: -163.137 flat angles P-C4'-P energy: -104.766 tors. eta vs tors. theta energy: -227.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2501.113582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.113582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.113582 (E_RNA) where: Base-Base interactions energy: -1718.309 where: short stacking energy: -759.075 Base-Backbone interact. energy: -4.426 local terms energy: -778.378411 where: bonds (distance) C4'-P energy: -127.111 bonds (distance) P-C4' energy: -162.310 flat angles C4'-P-C4' energy: -151.629 flat angles P-C4'-P energy: -118.121 tors. eta vs tors. theta energy: -219.209 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: 250 Temperature: 1.000000 Total energy: -2355.958490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.958490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.958490 (E_RNA) where: Base-Base interactions energy: -1603.889 where: short stacking energy: -695.996 Base-Backbone interact. energy: -1.481 local terms energy: -750.587916 where: bonds (distance) C4'-P energy: -123.407 bonds (distance) P-C4' energy: -149.490 flat angles C4'-P-C4' energy: -167.381 flat angles P-C4'-P energy: -105.519 tors. eta vs tors. theta energy: -204.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2305.538013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.538013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.538013 (E_RNA) where: Base-Base interactions energy: -1594.214 where: short stacking energy: -684.320 Base-Backbone interact. energy: -3.412 local terms energy: -707.912748 where: bonds (distance) C4'-P energy: -124.111 bonds (distance) P-C4' energy: -133.289 flat angles C4'-P-C4' energy: -154.243 flat angles P-C4'-P energy: -108.671 tors. eta vs tors. theta energy: -187.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2124.710956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.710956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.710956 (E_RNA) where: Base-Base interactions energy: -1445.411 where: short stacking energy: -613.341 Base-Backbone interact. energy: 4.397 local terms energy: -683.697068 where: bonds (distance) C4'-P energy: -128.437 bonds (distance) P-C4' energy: -132.326 flat angles C4'-P-C4' energy: -145.437 flat angles P-C4'-P energy: -104.695 tors. eta vs tors. theta energy: -172.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1835.921072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.921072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.921072 (E_RNA) where: Base-Base interactions energy: -1214.556 where: short stacking energy: -555.651 Base-Backbone interact. energy: -4.625 local terms energy: -616.739916 where: bonds (distance) C4'-P energy: -127.289 bonds (distance) P-C4' energy: -134.187 flat angles C4'-P-C4' energy: -128.703 flat angles P-C4'-P energy: -83.353 tors. eta vs tors. theta energy: -143.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1800.971975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.971975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.971975 (E_RNA) where: Base-Base interactions energy: -1199.008 where: short stacking energy: -492.430 Base-Backbone interact. energy: -2.666 local terms energy: -599.298797 where: bonds (distance) C4'-P energy: -126.154 bonds (distance) P-C4' energy: -131.185 flat angles C4'-P-C4' energy: -138.950 flat angles P-C4'-P energy: -79.291 tors. eta vs tors. theta energy: -123.719 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: 8, replica: 6 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1585.505349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.505349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.505349 (E_RNA) where: Base-Base interactions energy: -1011.701 where: short stacking energy: -422.255 Base-Backbone interact. energy: 0.885 local terms energy: -574.688908 where: bonds (distance) C4'-P energy: -123.686 bonds (distance) P-C4' energy: -137.554 flat angles C4'-P-C4' energy: -136.686 flat angles P-C4'-P energy: -88.421 tors. eta vs tors. theta energy: -88.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1192.327703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.327703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.327703 (E_RNA) where: Base-Base interactions energy: -644.577 where: short stacking energy: -305.101 Base-Backbone interact. energy: -1.986 local terms energy: -545.764233 where: bonds (distance) C4'-P energy: -121.139 bonds (distance) P-C4' energy: -148.057 flat angles C4'-P-C4' energy: -120.577 flat angles P-C4'-P energy: -99.441 tors. eta vs tors. theta energy: -56.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -581.965067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.965067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.965067 (E_RNA) where: Base-Base interactions energy: -220.547 where: short stacking energy: -158.557 Base-Backbone interact. energy: 2.617 local terms energy: -364.035119 where: bonds (distance) C4'-P energy: -100.962 bonds (distance) P-C4' energy: -136.896 flat angles C4'-P-C4' energy: -88.758 flat angles P-C4'-P energy: -62.351 tors. eta vs tors. theta energy: 24.932 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: 4 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2688.108035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.108035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.108035 (E_RNA) where: Base-Base interactions energy: -1882.871 where: short stacking energy: -802.657 Base-Backbone interact. energy: -3.758 local terms energy: -801.478903 where: bonds (distance) C4'-P energy: -138.109 bonds (distance) P-C4' energy: -151.145 flat angles C4'-P-C4' energy: -169.498 flat angles P-C4'-P energy: -117.923 tors. eta vs tors. theta energy: -224.804 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: 8 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2494.393981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.393981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.393981 (E_RNA) where: Base-Base interactions energy: -1702.062 where: short stacking energy: -726.726 Base-Backbone interact. energy: -2.299 local terms energy: -790.033060 where: bonds (distance) C4'-P energy: -158.142 bonds (distance) P-C4' energy: -147.725 flat angles C4'-P-C4' energy: -160.344 flat angles P-C4'-P energy: -109.255 tors. eta vs tors. theta energy: -214.567 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: 3, replica: 7 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2367.446353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.446353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.446353 (E_RNA) where: Base-Base interactions energy: -1623.082 where: short stacking energy: -737.310 Base-Backbone interact. energy: -1.997 local terms energy: -742.367744 where: bonds (distance) C4'-P energy: -145.493 bonds (distance) P-C4' energy: -132.875 flat angles C4'-P-C4' energy: -165.516 flat angles P-C4'-P energy: -88.069 tors. eta vs tors. theta energy: -210.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2264.462968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.462968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.462968 (E_RNA) where: Base-Base interactions energy: -1556.783 where: short stacking energy: -659.215 Base-Backbone interact. energy: -1.941 local terms energy: -705.739160 where: bonds (distance) C4'-P energy: -138.381 bonds (distance) P-C4' energy: -134.420 flat angles C4'-P-C4' energy: -148.122 flat angles P-C4'-P energy: -98.659 tors. eta vs tors. theta energy: -186.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2125.938715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.938715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.938715 (E_RNA) where: Base-Base interactions energy: -1435.236 where: short stacking energy: -618.328 Base-Backbone interact. energy: -7.422 local terms energy: -683.279917 where: bonds (distance) C4'-P energy: -124.829 bonds (distance) P-C4' energy: -136.020 flat angles C4'-P-C4' energy: -152.718 flat angles P-C4'-P energy: -101.392 tors. eta vs tors. theta energy: -168.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1906.283062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.283062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.283062 (E_RNA) where: Base-Base interactions energy: -1259.980 where: short stacking energy: -569.020 Base-Backbone interact. energy: -3.208 local terms energy: -643.094623 where: bonds (distance) C4'-P energy: -146.706 bonds (distance) P-C4' energy: -108.886 flat angles C4'-P-C4' energy: -148.406 flat angles P-C4'-P energy: -90.168 tors. eta vs tors. theta energy: -148.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1721.628158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.628158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.628158 (E_RNA) where: Base-Base interactions energy: -1139.541 where: short stacking energy: -492.489 Base-Backbone interact. energy: -0.856 local terms energy: -581.231411 where: bonds (distance) C4'-P energy: -110.317 bonds (distance) P-C4' energy: -128.443 flat angles C4'-P-C4' energy: -144.121 flat angles P-C4'-P energy: -92.482 tors. eta vs tors. theta energy: -105.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1563.379394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.379394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.379394 (E_RNA) where: Base-Base interactions energy: -1018.834 where: short stacking energy: -452.471 Base-Backbone interact. energy: -1.044 local terms energy: -543.501967 where: bonds (distance) C4'-P energy: -117.405 bonds (distance) P-C4' energy: -130.841 flat angles C4'-P-C4' energy: -128.677 flat angles P-C4'-P energy: -80.250 tors. eta vs tors. theta energy: -86.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1194.870170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.870170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.870170 (E_RNA) where: Base-Base interactions energy: -702.648 where: short stacking energy: -323.480 Base-Backbone interact. energy: 4.008 local terms energy: -496.230709 where: bonds (distance) C4'-P energy: -120.779 bonds (distance) P-C4' energy: -148.155 flat angles C4'-P-C4' energy: -121.864 flat angles P-C4'-P energy: -75.387 tors. eta vs tors. theta energy: -30.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -581.537715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.537715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.537715 (E_RNA) where: Base-Base interactions energy: -194.361 where: short stacking energy: -144.905 Base-Backbone interact. energy: -1.658 local terms energy: -385.518746 where: bonds (distance) C4'-P energy: -130.443 bonds (distance) P-C4' energy: -127.929 flat angles C4'-P-C4' energy: -101.294 flat angles P-C4'-P energy: -50.416 tors. eta vs tors. theta energy: 24.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2659.915601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.915601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.915601 (E_RNA) where: Base-Base interactions energy: -1845.779 where: short stacking energy: -807.184 Base-Backbone interact. energy: -4.248 local terms energy: -809.889137 where: bonds (distance) C4'-P energy: -138.804 bonds (distance) P-C4' energy: -148.080 flat angles C4'-P-C4' energy: -164.271 flat angles P-C4'-P energy: -121.334 tors. eta vs tors. theta energy: -237.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2485.294139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.294139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.294139 (E_RNA) where: Base-Base interactions energy: -1695.484 where: short stacking energy: -751.416 Base-Backbone interact. energy: -1.609 local terms energy: -788.201164 where: bonds (distance) C4'-P energy: -146.305 bonds (distance) P-C4' energy: -140.833 flat angles C4'-P-C4' energy: -163.758 flat angles P-C4'-P energy: -116.280 tors. eta vs tors. theta energy: -221.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2348.609376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.609376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.609376 (E_RNA) where: Base-Base interactions energy: -1568.497 where: short stacking energy: -702.315 Base-Backbone interact. energy: -2.331 local terms energy: -777.781778 where: bonds (distance) C4'-P energy: -150.386 bonds (distance) P-C4' energy: -141.497 flat angles C4'-P-C4' energy: -164.096 flat angles P-C4'-P energy: -103.271 tors. eta vs tors. theta energy: -218.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2256.522136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.522136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.522136 (E_RNA) where: Base-Base interactions energy: -1560.409 where: short stacking energy: -669.554 Base-Backbone interact. energy: -0.855 local terms energy: -695.258255 where: bonds (distance) C4'-P energy: -143.615 bonds (distance) P-C4' energy: -116.731 flat angles C4'-P-C4' energy: -167.642 flat angles P-C4'-P energy: -99.141 tors. eta vs tors. theta energy: -168.130 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: 3 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2103.325316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.325316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.325316 (E_RNA) where: Base-Base interactions energy: -1396.096 where: short stacking energy: -637.479 Base-Backbone interact. energy: -5.185 local terms energy: -702.044243 where: bonds (distance) C4'-P energy: -133.265 bonds (distance) P-C4' energy: -140.202 flat angles C4'-P-C4' energy: -148.433 flat angles P-C4'-P energy: -101.979 tors. eta vs tors. theta energy: -178.166 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: 6, replica: 10 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1878.127780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.127780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.127780 (E_RNA) where: Base-Base interactions energy: -1235.213 where: short stacking energy: -563.668 Base-Backbone interact. energy: 1.934 local terms energy: -644.849066 where: bonds (distance) C4'-P energy: -143.184 bonds (distance) P-C4' energy: -130.530 flat angles C4'-P-C4' energy: -130.341 flat angles P-C4'-P energy: -92.353 tors. eta vs tors. theta energy: -148.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1718.066599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.066599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.066599 (E_RNA) where: Base-Base interactions energy: -1152.496 where: short stacking energy: -512.469 Base-Backbone interact. energy: -1.107 local terms energy: -564.464169 where: bonds (distance) C4'-P energy: -102.973 bonds (distance) P-C4' energy: -125.053 flat angles C4'-P-C4' energy: -133.666 flat angles P-C4'-P energy: -78.247 tors. eta vs tors. theta energy: -124.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1550.587779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.587779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.587779 (E_RNA) where: Base-Base interactions energy: -977.000 where: short stacking energy: -423.286 Base-Backbone interact. energy: -3.255 local terms energy: -570.332733 where: bonds (distance) C4'-P energy: -115.160 bonds (distance) P-C4' energy: -138.470 flat angles C4'-P-C4' energy: -134.424 flat angles P-C4'-P energy: -91.451 tors. eta vs tors. theta energy: -90.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1140.483412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.483412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.483412 (E_RNA) where: Base-Base interactions energy: -652.712 where: short stacking energy: -303.704 Base-Backbone interact. energy: -0.292 local terms energy: -487.479756 where: bonds (distance) C4'-P energy: -133.075 bonds (distance) P-C4' energy: -140.655 flat angles C4'-P-C4' energy: -120.686 flat angles P-C4'-P energy: -64.248 tors. eta vs tors. theta energy: -28.816 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: 9 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -573.575799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.575799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.575799 (E_RNA) where: Base-Base interactions energy: -235.210 where: short stacking energy: -158.282 Base-Backbone interact. energy: -0.502 local terms energy: -337.863722 where: bonds (distance) C4'-P energy: -95.041 bonds (distance) P-C4' energy: -127.351 flat angles C4'-P-C4' energy: -107.253 flat angles P-C4'-P energy: -58.057 tors. eta vs tors. theta energy: 49.838 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: 4 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2655.305406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.305406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.305406 (E_RNA) where: Base-Base interactions energy: -1851.184 where: short stacking energy: -787.475 Base-Backbone interact. energy: -2.887 local terms energy: -801.234135 where: bonds (distance) C4'-P energy: -129.544 bonds (distance) P-C4' energy: -161.611 flat angles C4'-P-C4' energy: -168.925 flat angles P-C4'-P energy: -111.191 tors. eta vs tors. theta energy: -229.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2503.240877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.240877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.240877 (E_RNA) where: Base-Base interactions energy: -1726.001 where: short stacking energy: -771.975 Base-Backbone interact. energy: -2.782 local terms energy: -774.458556 where: bonds (distance) C4'-P energy: -154.245 bonds (distance) P-C4' energy: -128.954 flat angles C4'-P-C4' energy: -170.849 flat angles P-C4'-P energy: -95.225 tors. eta vs tors. theta energy: -225.185 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: 7 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2354.146376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.146376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.146376 (E_RNA) where: Base-Base interactions energy: -1617.245 where: short stacking energy: -685.855 Base-Backbone interact. energy: 0.260 local terms energy: -737.161054 where: bonds (distance) C4'-P energy: -140.481 bonds (distance) P-C4' energy: -136.134 flat angles C4'-P-C4' energy: -151.789 flat angles P-C4'-P energy: -113.144 tors. eta vs tors. theta energy: -195.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2304.238178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.238178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.238178 (E_RNA) where: Base-Base interactions energy: -1599.238 where: short stacking energy: -661.427 Base-Backbone interact. energy: -1.898 local terms energy: -703.101945 where: bonds (distance) C4'-P energy: -126.593 bonds (distance) P-C4' energy: -142.685 flat angles C4'-P-C4' energy: -157.148 flat angles P-C4'-P energy: -96.618 tors. eta vs tors. theta energy: -180.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2106.060060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.060060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.060060 (E_RNA) where: Base-Base interactions energy: -1415.156 where: short stacking energy: -630.686 Base-Backbone interact. energy: -7.817 local terms energy: -683.086852 where: bonds (distance) C4'-P energy: -131.737 bonds (distance) P-C4' energy: -130.756 flat angles C4'-P-C4' energy: -141.533 flat angles P-C4'-P energy: -96.580 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: 6, replica: 10 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1904.742479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.742479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.742479 (E_RNA) where: Base-Base interactions energy: -1265.071 where: short stacking energy: -565.527 Base-Backbone interact. energy: -1.283 local terms energy: -638.388581 where: bonds (distance) C4'-P energy: -120.905 bonds (distance) P-C4' energy: -128.273 flat angles C4'-P-C4' energy: -138.378 flat angles P-C4'-P energy: -104.651 tors. eta vs tors. theta energy: -146.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1767.993309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.993309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.993309 (E_RNA) where: Base-Base interactions energy: -1165.753 where: short stacking energy: -512.586 Base-Backbone interact. energy: -1.089 local terms energy: -601.151157 where: bonds (distance) C4'-P energy: -133.545 bonds (distance) P-C4' energy: -113.902 flat angles C4'-P-C4' energy: -149.705 flat angles P-C4'-P energy: -75.565 tors. eta vs tors. theta energy: -128.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1517.145413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.145413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.145413 (E_RNA) where: Base-Base interactions energy: -925.205 where: short stacking energy: -424.670 Base-Backbone interact. energy: -2.913 local terms energy: -589.027241 where: bonds (distance) C4'-P energy: -127.592 bonds (distance) P-C4' energy: -119.056 flat angles C4'-P-C4' energy: -144.864 flat angles P-C4'-P energy: -101.628 tors. eta vs tors. theta energy: -95.887 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: 9, replica: 5 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1159.047988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.047988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.047988 (E_RNA) where: Base-Base interactions energy: -706.358 where: short stacking energy: -343.246 Base-Backbone interact. energy: 2.199 local terms energy: -454.888706 where: bonds (distance) C4'-P energy: -110.857 bonds (distance) P-C4' energy: -120.837 flat angles C4'-P-C4' energy: -115.124 flat angles P-C4'-P energy: -66.913 tors. eta vs tors. theta energy: -41.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -562.813165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.813165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.813165 (E_RNA) where: Base-Base interactions energy: -212.023 where: short stacking energy: -152.376 Base-Backbone interact. energy: -2.122 local terms energy: -348.668557 where: bonds (distance) C4'-P energy: -103.896 bonds (distance) P-C4' energy: -118.571 flat angles C4'-P-C4' energy: -105.008 flat angles P-C4'-P energy: -43.595 tors. eta vs tors. theta energy: 22.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2664.891070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.891070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.891070 (E_RNA) where: Base-Base interactions energy: -1856.951 where: short stacking energy: -791.503 Base-Backbone interact. energy: -5.928 local terms energy: -802.012011 where: bonds (distance) C4'-P energy: -136.743 bonds (distance) P-C4' energy: -142.111 flat angles C4'-P-C4' energy: -179.789 flat angles P-C4'-P energy: -114.476 tors. eta vs tors. theta energy: -228.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2508.752116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.752116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.752116 (E_RNA) where: Base-Base interactions energy: -1740.685 where: short stacking energy: -749.051 Base-Backbone interact. energy: -2.141 local terms energy: -765.926121 where: bonds (distance) C4'-P energy: -136.487 bonds (distance) P-C4' energy: -143.134 flat angles C4'-P-C4' energy: -157.159 flat angles P-C4'-P energy: -105.587 tors. eta vs tors. theta energy: -223.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2370.388984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.388984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.388984 (E_RNA) where: Base-Base interactions energy: -1635.743 where: short stacking energy: -735.975 Base-Backbone interact. energy: -1.257 local terms energy: -733.388735 where: bonds (distance) C4'-P energy: -121.063 bonds (distance) P-C4' energy: -149.418 flat angles C4'-P-C4' energy: -170.811 flat angles P-C4'-P energy: -92.435 tors. eta vs tors. theta energy: -199.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2294.292172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.292172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.292172 (E_RNA) where: Base-Base interactions energy: -1612.198 where: short stacking energy: -670.025 Base-Backbone interact. energy: 0.900 local terms energy: -682.994405 where: bonds (distance) C4'-P energy: -123.636 bonds (distance) P-C4' energy: -133.344 flat angles C4'-P-C4' energy: -148.806 flat angles P-C4'-P energy: -102.021 tors. eta vs tors. theta energy: -175.188 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: 254 Temperature: 1.100000 Total energy: -2077.080855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.080855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.080855 (E_RNA) where: Base-Base interactions energy: -1367.500 where: short stacking energy: -590.275 Base-Backbone interact. energy: -0.087 local terms energy: -709.493891 where: bonds (distance) C4'-P energy: -153.047 bonds (distance) P-C4' energy: -145.285 flat angles C4'-P-C4' energy: -134.245 flat angles P-C4'-P energy: -104.309 tors. eta vs tors. theta energy: -172.608 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: 10 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1949.565897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.565897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.565897 (E_RNA) where: Base-Base interactions energy: -1269.936 where: short stacking energy: -563.977 Base-Backbone interact. energy: -2.532 local terms energy: -677.097630 where: bonds (distance) C4'-P energy: -139.585 bonds (distance) P-C4' energy: -135.323 flat angles C4'-P-C4' energy: -154.787 flat angles P-C4'-P energy: -89.754 tors. eta vs tors. theta energy: -157.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1703.183170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.183170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.183170 (E_RNA) where: Base-Base interactions energy: -1075.213 where: short stacking energy: -478.246 Base-Backbone interact. energy: -0.551 local terms energy: -627.418741 where: bonds (distance) C4'-P energy: -126.921 bonds (distance) P-C4' energy: -136.200 flat angles C4'-P-C4' energy: -153.541 flat angles P-C4'-P energy: -87.632 tors. eta vs tors. theta energy: -123.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1560.072106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.072106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.072106 (E_RNA) where: Base-Base interactions energy: -998.508 where: short stacking energy: -450.116 Base-Backbone interact. energy: -1.582 local terms energy: -559.981842 where: bonds (distance) C4'-P energy: -132.612 bonds (distance) P-C4' energy: -124.130 flat angles C4'-P-C4' energy: -136.795 flat angles P-C4'-P energy: -70.413 tors. eta vs tors. theta energy: -96.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1157.472113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.472113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.472113 (E_RNA) where: Base-Base interactions energy: -710.145 where: short stacking energy: -309.952 Base-Backbone interact. energy: -1.832 local terms energy: -445.495265 where: bonds (distance) C4'-P energy: -112.232 bonds (distance) P-C4' energy: -127.878 flat angles C4'-P-C4' energy: -115.790 flat angles P-C4'-P energy: -55.244 tors. eta vs tors. theta energy: -34.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -594.420265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.420265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.420265 (E_RNA) where: Base-Base interactions energy: -227.138 where: short stacking energy: -168.501 Base-Backbone interact. energy: -0.055 local terms energy: -367.226954 where: bonds (distance) C4'-P energy: -134.166 bonds (distance) P-C4' energy: -129.683 flat angles C4'-P-C4' energy: -87.834 flat angles P-C4'-P energy: -49.192 tors. eta vs tors. theta energy: 33.648 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: 1, replica: 4 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2630.248347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.248347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.248347 (E_RNA) where: Base-Base interactions energy: -1835.846 where: short stacking energy: -766.083 Base-Backbone interact. energy: -4.949 local terms energy: -789.453873 where: bonds (distance) C4'-P energy: -152.439 bonds (distance) P-C4' energy: -132.018 flat angles C4'-P-C4' energy: -158.482 flat angles P-C4'-P energy: -120.764 tors. eta vs tors. theta energy: -225.750 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: 8 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2480.240266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.240266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.240266 (E_RNA) where: Base-Base interactions energy: -1724.860 where: short stacking energy: -751.710 Base-Backbone interact. energy: -5.643 local terms energy: -749.736976 where: bonds (distance) C4'-P energy: -131.098 bonds (distance) P-C4' energy: -138.364 flat angles C4'-P-C4' energy: -167.929 flat angles P-C4'-P energy: -95.442 tors. eta vs tors. theta energy: -216.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2363.029380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.029380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.029380 (E_RNA) where: Base-Base interactions energy: -1611.282 where: short stacking energy: -718.297 Base-Backbone interact. energy: 0.190 local terms energy: -751.936821 where: bonds (distance) C4'-P energy: -128.778 bonds (distance) P-C4' energy: -133.593 flat angles C4'-P-C4' energy: -175.309 flat angles P-C4'-P energy: -107.842 tors. eta vs tors. theta energy: -206.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2297.937310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.937310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.937310 (E_RNA) where: Base-Base interactions energy: -1603.948 where: short stacking energy: -673.737 Base-Backbone interact. energy: -0.173 local terms energy: -693.815963 where: bonds (distance) C4'-P energy: -124.189 bonds (distance) P-C4' energy: -152.838 flat angles C4'-P-C4' energy: -144.569 flat angles P-C4'-P energy: -89.602 tors. eta vs tors. theta energy: -182.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2059.000763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.000763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.000763 (E_RNA) where: Base-Base interactions energy: -1376.034 where: short stacking energy: -621.951 Base-Backbone interact. energy: -1.755 local terms energy: -681.211899 where: bonds (distance) C4'-P energy: -132.559 bonds (distance) P-C4' energy: -122.095 flat angles C4'-P-C4' energy: -148.042 flat angles P-C4'-P energy: -95.137 tors. eta vs tors. theta energy: -183.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1937.609966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.609966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.609966 (E_RNA) where: Base-Base interactions energy: -1316.704 where: short stacking energy: -583.773 Base-Backbone interact. energy: -3.105 local terms energy: -617.801642 where: bonds (distance) C4'-P energy: -130.040 bonds (distance) P-C4' energy: -117.227 flat angles C4'-P-C4' energy: -130.064 flat angles P-C4'-P energy: -98.834 tors. eta vs tors. theta energy: -141.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1702.495128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.495128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.495128 (E_RNA) where: Base-Base interactions energy: -1137.447 where: short stacking energy: -494.201 Base-Backbone interact. energy: -3.853 local terms energy: -561.194944 where: bonds (distance) C4'-P energy: -125.811 bonds (distance) P-C4' energy: -117.698 flat angles C4'-P-C4' energy: -129.366 flat angles P-C4'-P energy: -79.123 tors. eta vs tors. theta energy: -109.197 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: 8, replica: 6 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1538.190013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.190013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.190013 (E_RNA) where: Base-Base interactions energy: -991.428 where: short stacking energy: -426.063 Base-Backbone interact. energy: -2.132 local terms energy: -544.630216 where: bonds (distance) C4'-P energy: -127.257 bonds (distance) P-C4' energy: -132.119 flat angles C4'-P-C4' energy: -127.208 flat angles P-C4'-P energy: -64.148 tors. eta vs tors. theta energy: -93.898 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: 9, replica: 5 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1164.963518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.963518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.963518 (E_RNA) where: Base-Base interactions energy: -706.215 where: short stacking energy: -354.972 Base-Backbone interact. energy: -2.279 local terms energy: -456.469592 where: bonds (distance) C4'-P energy: -111.573 bonds (distance) P-C4' energy: -124.343 flat angles C4'-P-C4' energy: -136.506 flat angles P-C4'-P energy: -47.896 tors. eta vs tors. theta energy: -36.152 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: 10, replica: 9 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -629.162334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.162334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.162334 (E_RNA) where: Base-Base interactions energy: -241.210 where: short stacking energy: -181.912 Base-Backbone interact. energy: 2.131 local terms energy: -390.082666 where: bonds (distance) C4'-P energy: -104.535 bonds (distance) P-C4' energy: -135.401 flat angles C4'-P-C4' energy: -104.401 flat angles P-C4'-P energy: -43.590 tors. eta vs tors. theta energy: -2.156 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: 4 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2616.304096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.304096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.304096 (E_RNA) where: Base-Base interactions energy: -1828.257 where: short stacking energy: -784.090 Base-Backbone interact. energy: -2.488 local terms energy: -785.559171 where: bonds (distance) C4'-P energy: -120.183 bonds (distance) P-C4' energy: -143.197 flat angles C4'-P-C4' energy: -172.202 flat angles P-C4'-P energy: -121.309 tors. eta vs tors. theta energy: -228.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2445.887253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.887253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.887253 (E_RNA) where: Base-Base interactions energy: -1688.520 where: short stacking energy: -746.748 Base-Backbone interact. energy: -2.816 local terms energy: -754.551177 where: bonds (distance) C4'-P energy: -125.545 bonds (distance) P-C4' energy: -130.817 flat angles C4'-P-C4' energy: -173.723 flat angles P-C4'-P energy: -109.889 tors. eta vs tors. theta energy: -214.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2375.095304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.095304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.095304 (E_RNA) where: Base-Base interactions energy: -1617.689 where: short stacking energy: -705.307 Base-Backbone interact. energy: -3.499 local terms energy: -753.906762 where: bonds (distance) C4'-P energy: -133.729 bonds (distance) P-C4' energy: -141.735 flat angles C4'-P-C4' energy: -166.767 flat angles P-C4'-P energy: -107.766 tors. eta vs tors. theta energy: -203.910 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: 1 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2336.130821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.130821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.130821 (E_RNA) where: Base-Base interactions energy: -1621.159 where: short stacking energy: -651.492 Base-Backbone interact. energy: -0.333 local terms energy: -714.639338 where: bonds (distance) C4'-P energy: -134.327 bonds (distance) P-C4' energy: -136.379 flat angles C4'-P-C4' energy: -157.040 flat angles P-C4'-P energy: -107.227 tors. eta vs tors. theta energy: -179.666 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: 3 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2056.775354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.775354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.775354 (E_RNA) where: Base-Base interactions energy: -1368.558 where: short stacking energy: -598.453 Base-Backbone interact. energy: -1.538 local terms energy: -686.679621 where: bonds (distance) C4'-P energy: -123.470 bonds (distance) P-C4' energy: -142.233 flat angles C4'-P-C4' energy: -154.708 flat angles P-C4'-P energy: -96.832 tors. eta vs tors. theta energy: -169.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1984.598135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.598135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.598135 (E_RNA) where: Base-Base interactions energy: -1311.374 where: short stacking energy: -596.037 Base-Backbone interact. energy: -1.250 local terms energy: -671.974694 where: bonds (distance) C4'-P energy: -121.180 bonds (distance) P-C4' energy: -131.737 flat angles C4'-P-C4' energy: -150.656 flat angles P-C4'-P energy: -92.978 tors. eta vs tors. theta energy: -175.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1599.350856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.350856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.350856 (E_RNA) where: Base-Base interactions energy: -1045.941 where: short stacking energy: -470.669 Base-Backbone interact. energy: 2.848 local terms energy: -556.256965 where: bonds (distance) C4'-P energy: -124.294 bonds (distance) P-C4' energy: -120.822 flat angles C4'-P-C4' energy: -125.574 flat angles P-C4'-P energy: -74.767 tors. eta vs tors. theta energy: -110.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1501.085078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.085078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.085078 (E_RNA) where: Base-Base interactions energy: -947.817 where: short stacking energy: -426.003 Base-Backbone interact. energy: -1.137 local terms energy: -552.130600 where: bonds (distance) C4'-P energy: -117.813 bonds (distance) P-C4' energy: -133.375 flat angles C4'-P-C4' energy: -146.218 flat angles P-C4'-P energy: -79.412 tors. eta vs tors. theta energy: -75.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1148.382657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.382657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.382657 (E_RNA) where: Base-Base interactions energy: -638.972 where: short stacking energy: -315.655 Base-Backbone interact. energy: 2.901 local terms energy: -512.311886 where: bonds (distance) C4'-P energy: -116.465 bonds (distance) P-C4' energy: -126.692 flat angles C4'-P-C4' energy: -126.116 flat angles P-C4'-P energy: -79.759 tors. eta vs tors. theta energy: -63.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -643.508318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.508318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.508318 (E_RNA) where: Base-Base interactions energy: -261.662 where: short stacking energy: -185.849 Base-Backbone interact. energy: 1.518 local terms energy: -383.364686 where: bonds (distance) C4'-P energy: -123.327 bonds (distance) P-C4' energy: -125.182 flat angles C4'-P-C4' energy: -100.662 flat angles P-C4'-P energy: -55.206 tors. eta vs tors. theta energy: 21.012 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: 4 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2658.996110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.996110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.996110 (E_RNA) where: Base-Base interactions energy: -1846.399 where: short stacking energy: -824.391 Base-Backbone interact. energy: -5.482 local terms energy: -807.115625 where: bonds (distance) C4'-P energy: -145.413 bonds (distance) P-C4' energy: -140.582 flat angles C4'-P-C4' energy: -166.904 flat angles P-C4'-P energy: -115.505 tors. eta vs tors. theta energy: -238.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2528.354897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.354897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.354897 (E_RNA) where: Base-Base interactions energy: -1766.417 where: short stacking energy: -755.052 Base-Backbone interact. energy: -3.456 local terms energy: -758.482363 where: bonds (distance) C4'-P energy: -132.808 bonds (distance) P-C4' energy: -137.380 flat angles C4'-P-C4' energy: -159.026 flat angles P-C4'-P energy: -111.551 tors. eta vs tors. theta energy: -217.718 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: 7 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2344.461078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.461078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.461078 (E_RNA) where: Base-Base interactions energy: -1602.839 where: short stacking energy: -687.614 Base-Backbone interact. energy: -4.302 local terms energy: -737.320480 where: bonds (distance) C4'-P energy: -140.115 bonds (distance) P-C4' energy: -140.272 flat angles C4'-P-C4' energy: -159.207 flat angles P-C4'-P energy: -98.943 tors. eta vs tors. theta energy: -198.784 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: 1 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2328.942767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.942767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.942767 (E_RNA) where: Base-Base interactions energy: -1656.936 where: short stacking energy: -680.609 Base-Backbone interact. energy: 2.427 local terms energy: -674.434356 where: bonds (distance) C4'-P energy: -117.123 bonds (distance) P-C4' energy: -111.194 flat angles C4'-P-C4' energy: -154.706 flat angles P-C4'-P energy: -93.834 tors. eta vs tors. theta energy: -197.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2100.238358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.238358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.238358 (E_RNA) where: Base-Base interactions energy: -1401.040 where: short stacking energy: -634.772 Base-Backbone interact. energy: -0.150 local terms energy: -699.049229 where: bonds (distance) C4'-P energy: -134.259 bonds (distance) P-C4' energy: -139.130 flat angles C4'-P-C4' energy: -155.929 flat angles P-C4'-P energy: -93.777 tors. eta vs tors. theta energy: -175.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1919.266230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.266230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.266230 (E_RNA) where: Base-Base interactions energy: -1249.237 where: short stacking energy: -569.543 Base-Backbone interact. energy: 1.789 local terms energy: -671.818668 where: bonds (distance) C4'-P energy: -129.810 bonds (distance) P-C4' energy: -157.765 flat angles C4'-P-C4' energy: -137.944 flat angles P-C4'-P energy: -89.519 tors. eta vs tors. theta energy: -156.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1813.725408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.725408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.725408 (E_RNA) where: Base-Base interactions energy: -1202.242 where: short stacking energy: -501.698 Base-Backbone interact. energy: 1.568 local terms energy: -613.051195 where: bonds (distance) C4'-P energy: -134.699 bonds (distance) P-C4' energy: -135.292 flat angles C4'-P-C4' energy: -144.005 flat angles P-C4'-P energy: -72.868 tors. eta vs tors. theta energy: -126.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1504.066353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.066353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.066353 (E_RNA) where: Base-Base interactions energy: -978.798 where: short stacking energy: -444.143 Base-Backbone interact. energy: -1.658 local terms energy: -523.610863 where: bonds (distance) C4'-P energy: -137.158 bonds (distance) P-C4' energy: -129.495 flat angles C4'-P-C4' energy: -109.328 flat angles P-C4'-P energy: -73.884 tors. eta vs tors. theta energy: -73.745 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: 5 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1160.721565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.721565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.721565 (E_RNA) where: Base-Base interactions energy: -698.992 where: short stacking energy: -358.252 Base-Backbone interact. energy: 1.250 local terms energy: -462.979939 where: bonds (distance) C4'-P energy: -116.060 bonds (distance) P-C4' energy: -138.505 flat angles C4'-P-C4' energy: -95.799 flat angles P-C4'-P energy: -67.980 tors. eta vs tors. theta energy: -44.637 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: 9 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -556.710105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.710105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.710105 (E_RNA) where: Base-Base interactions energy: -213.726 where: short stacking energy: -180.557 Base-Backbone interact. energy: 0.310 local terms energy: -343.294783 where: bonds (distance) C4'-P energy: -105.987 bonds (distance) P-C4' energy: -124.691 flat angles C4'-P-C4' energy: -92.161 flat angles P-C4'-P energy: -44.616 tors. eta vs tors. theta energy: 24.160 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: 4 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2628.965291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.965291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.965291 (E_RNA) where: Base-Base interactions energy: -1847.333 where: short stacking energy: -773.210 Base-Backbone interact. energy: -5.305 local terms energy: -776.327699 where: bonds (distance) C4'-P energy: -136.991 bonds (distance) P-C4' energy: -132.438 flat angles C4'-P-C4' energy: -167.840 flat angles P-C4'-P energy: -120.685 tors. eta vs tors. theta energy: -218.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2484.408632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.408632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.408632 (E_RNA) where: Base-Base interactions energy: -1697.412 where: short stacking energy: -748.505 Base-Backbone interact. energy: -1.281 local terms energy: -785.715438 where: bonds (distance) C4'-P energy: -133.594 bonds (distance) P-C4' energy: -157.336 flat angles C4'-P-C4' energy: -155.837 flat angles P-C4'-P energy: -115.430 tors. eta vs tors. theta energy: -223.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2387.641471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.641471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.641471 (E_RNA) where: Base-Base interactions energy: -1617.237 where: short stacking energy: -733.350 Base-Backbone interact. energy: -6.057 local terms energy: -764.347044 where: bonds (distance) C4'-P energy: -157.686 bonds (distance) P-C4' energy: -137.895 flat angles C4'-P-C4' energy: -158.269 flat angles P-C4'-P energy: -96.864 tors. eta vs tors. theta energy: -213.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2363.737924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.737924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.737924 (E_RNA) where: Base-Base interactions energy: -1656.613 where: short stacking energy: -674.524 Base-Backbone interact. energy: 0.729 local terms energy: -707.854124 where: bonds (distance) C4'-P energy: -137.325 bonds (distance) P-C4' energy: -124.398 flat angles C4'-P-C4' energy: -162.956 flat angles P-C4'-P energy: -99.671 tors. eta vs tors. theta energy: -183.505 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: 10 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1963.728905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.728905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.728905 (E_RNA) where: Base-Base interactions energy: -1290.503 where: short stacking energy: -591.134 Base-Backbone interact. energy: -4.018 local terms energy: -669.207728 where: bonds (distance) C4'-P energy: -115.284 bonds (distance) P-C4' energy: -133.265 flat angles C4'-P-C4' energy: -149.590 flat angles P-C4'-P energy: -98.064 tors. eta vs tors. theta energy: -173.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1947.398379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.398379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.398379 (E_RNA) where: Base-Base interactions energy: -1280.076 where: short stacking energy: -557.153 Base-Backbone interact. energy: -0.318 local terms energy: -667.004313 where: bonds (distance) C4'-P energy: -136.574 bonds (distance) P-C4' energy: -144.500 flat angles C4'-P-C4' energy: -145.768 flat angles P-C4'-P energy: -86.815 tors. eta vs tors. theta energy: -153.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1788.537597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.537597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.537597 (E_RNA) where: Base-Base interactions energy: -1185.445 where: short stacking energy: -535.083 Base-Backbone interact. energy: -2.772 local terms energy: -600.320287 where: bonds (distance) C4'-P energy: -128.749 bonds (distance) P-C4' energy: -130.384 flat angles C4'-P-C4' energy: -131.816 flat angles P-C4'-P energy: -82.051 tors. eta vs tors. theta energy: -127.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1466.947145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.947145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.947145 (E_RNA) where: Base-Base interactions energy: -931.652 where: short stacking energy: -416.799 Base-Backbone interact. energy: -1.984 local terms energy: -533.310690 where: bonds (distance) C4'-P energy: -114.507 bonds (distance) P-C4' energy: -128.068 flat angles C4'-P-C4' energy: -123.724 flat angles P-C4'-P energy: -87.383 tors. eta vs tors. theta energy: -79.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1137.118296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.118296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.118296 (E_RNA) where: Base-Base interactions energy: -672.987 where: short stacking energy: -317.316 Base-Backbone interact. energy: 6.841 local terms energy: -470.972854 where: bonds (distance) C4'-P energy: -120.276 bonds (distance) P-C4' energy: -141.205 flat angles C4'-P-C4' energy: -118.228 flat angles P-C4'-P energy: -66.024 tors. eta vs tors. theta energy: -25.239 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: 9 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -647.052327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.052327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.052327 (E_RNA) where: Base-Base interactions energy: -268.131 where: short stacking energy: -183.444 Base-Backbone interact. energy: -4.673 local terms energy: -374.247893 where: bonds (distance) C4'-P energy: -113.666 bonds (distance) P-C4' energy: -118.918 flat angles C4'-P-C4' energy: -103.082 flat angles P-C4'-P energy: -72.002 tors. eta vs tors. theta energy: 33.420 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: 1, replica: 4 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2649.055448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.055448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.055448 (E_RNA) where: Base-Base interactions energy: -1856.274 where: short stacking energy: -814.840 Base-Backbone interact. energy: -4.269 local terms energy: -788.512026 where: bonds (distance) C4'-P energy: -152.096 bonds (distance) P-C4' energy: -127.463 flat angles C4'-P-C4' energy: -160.144 flat angles P-C4'-P energy: -109.206 tors. eta vs tors. theta energy: -239.605 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: 8 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2493.765417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.765417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.765417 (E_RNA) where: Base-Base interactions energy: -1718.860 where: short stacking energy: -767.238 Base-Backbone interact. energy: -1.519 local terms energy: -773.386476 where: bonds (distance) C4'-P energy: -149.848 bonds (distance) P-C4' energy: -143.622 flat angles C4'-P-C4' energy: -161.785 flat angles P-C4'-P energy: -99.578 tors. eta vs tors. theta energy: -218.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2384.067701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.067701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.067701 (E_RNA) where: Base-Base interactions energy: -1651.098 where: short stacking energy: -704.406 Base-Backbone interact. energy: 6.968 local terms energy: -739.937961 where: bonds (distance) C4'-P energy: -139.809 bonds (distance) P-C4' energy: -148.474 flat angles C4'-P-C4' energy: -144.608 flat angles P-C4'-P energy: -104.044 tors. eta vs tors. theta energy: -203.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2332.875685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.875685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.875685 (E_RNA) where: Base-Base interactions energy: -1604.721 where: short stacking energy: -698.353 Base-Backbone interact. energy: -1.412 local terms energy: -726.742827 where: bonds (distance) C4'-P energy: -146.824 bonds (distance) P-C4' energy: -132.305 flat angles C4'-P-C4' energy: -147.738 flat angles P-C4'-P energy: -103.941 tors. eta vs tors. theta energy: -195.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1995.128356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.128356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.128356 (E_RNA) where: Base-Base interactions energy: -1317.690 where: short stacking energy: -577.820 Base-Backbone interact. energy: 1.752 local terms energy: -679.191023 where: bonds (distance) C4'-P energy: -136.982 bonds (distance) P-C4' energy: -137.149 flat angles C4'-P-C4' energy: -147.571 flat angles P-C4'-P energy: -97.822 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: 6, replica: 2 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1897.198567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.198567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.198567 (E_RNA) where: Base-Base interactions energy: -1277.062 where: short stacking energy: -585.767 Base-Backbone interact. energy: -0.565 local terms energy: -619.572255 where: bonds (distance) C4'-P energy: -122.910 bonds (distance) P-C4' energy: -133.344 flat angles C4'-P-C4' energy: -125.312 flat angles P-C4'-P energy: -85.581 tors. eta vs tors. theta energy: -152.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1883.555670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.555670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.555670 (E_RNA) where: Base-Base interactions energy: -1285.123 where: short stacking energy: -562.833 Base-Backbone interact. energy: -3.752 local terms energy: -594.680356 where: bonds (distance) C4'-P energy: -105.748 bonds (distance) P-C4' energy: -122.311 flat angles C4'-P-C4' energy: -122.832 flat angles P-C4'-P energy: -95.859 tors. eta vs tors. theta energy: -147.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1437.619514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.619514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.619514 (E_RNA) where: Base-Base interactions energy: -916.161 where: short stacking energy: -391.846 Base-Backbone interact. energy: 1.400 local terms energy: -522.859300 where: bonds (distance) C4'-P energy: -142.355 bonds (distance) P-C4' energy: -122.543 flat angles C4'-P-C4' energy: -121.976 flat angles P-C4'-P energy: -67.480 tors. eta vs tors. theta energy: -68.505 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: 5 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1172.244729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.244729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.244729 (E_RNA) where: Base-Base interactions energy: -690.910 where: short stacking energy: -344.348 Base-Backbone interact. energy: 4.171 local terms energy: -485.505831 where: bonds (distance) C4'-P energy: -123.243 bonds (distance) P-C4' energy: -115.159 flat angles C4'-P-C4' energy: -131.721 flat angles P-C4'-P energy: -76.504 tors. eta vs tors. theta energy: -38.878 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: 10, replica: 9 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -670.878099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.878099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.878099 (E_RNA) where: Base-Base interactions energy: -305.650 where: short stacking energy: -195.113 Base-Backbone interact. energy: 11.267 local terms energy: -376.494304 where: bonds (distance) C4'-P energy: -103.954 bonds (distance) P-C4' energy: -135.126 flat angles C4'-P-C4' energy: -107.473 flat angles P-C4'-P energy: -52.410 tors. eta vs tors. theta energy: 22.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2645.425941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.425941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.425941 (E_RNA) where: Base-Base interactions energy: -1861.649 where: short stacking energy: -795.868 Base-Backbone interact. energy: 3.885 local terms energy: -787.661939 where: bonds (distance) C4'-P energy: -147.001 bonds (distance) P-C4' energy: -141.774 flat angles C4'-P-C4' energy: -164.683 flat angles P-C4'-P energy: -102.582 tors. eta vs tors. theta energy: -231.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2517.225847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.225847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.225847 (E_RNA) where: Base-Base interactions energy: -1706.729 where: short stacking energy: -737.215 Base-Backbone interact. energy: -1.644 local terms energy: -808.853265 where: bonds (distance) C4'-P energy: -153.557 bonds (distance) P-C4' energy: -147.674 flat angles C4'-P-C4' energy: -171.641 flat angles P-C4'-P energy: -117.049 tors. eta vs tors. theta energy: -218.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2355.842785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.842785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.842785 (E_RNA) where: Base-Base interactions energy: -1583.291 where: short stacking energy: -684.279 Base-Backbone interact. energy: -0.090 local terms energy: -772.462069 where: bonds (distance) C4'-P energy: -140.716 bonds (distance) P-C4' energy: -167.077 flat angles C4'-P-C4' energy: -163.303 flat angles P-C4'-P energy: -101.562 tors. eta vs tors. theta energy: -199.804 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: 1 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2340.882909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.882909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.882909 (E_RNA) where: Base-Base interactions energy: -1642.177 where: short stacking energy: -676.637 Base-Backbone interact. energy: -4.100 local terms energy: -694.605531 where: bonds (distance) C4'-P energy: -122.870 bonds (distance) P-C4' energy: -141.002 flat angles C4'-P-C4' energy: -150.957 flat angles P-C4'-P energy: -87.320 tors. eta vs tors. theta energy: -192.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2021.717129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.717129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.717129 (E_RNA) where: Base-Base interactions energy: -1339.279 where: short stacking energy: -638.974 Base-Backbone interact. energy: -3.613 local terms energy: -678.825203 where: bonds (distance) C4'-P energy: -128.764 bonds (distance) P-C4' energy: -140.661 flat angles C4'-P-C4' energy: -151.683 flat angles P-C4'-P energy: -87.417 tors. eta vs tors. theta energy: -170.301 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: 260 Temperature: 1.150000 Total energy: -1926.745935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.745935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.745935 (E_RNA) where: Base-Base interactions energy: -1294.026 where: short stacking energy: -563.948 Base-Backbone interact. energy: -1.852 local terms energy: -630.868683 where: bonds (distance) C4'-P energy: -112.038 bonds (distance) P-C4' energy: -144.223 flat angles C4'-P-C4' energy: -140.637 flat angles P-C4'-P energy: -79.748 tors. eta vs tors. theta energy: -154.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1924.961256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.961256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.961256 (E_RNA) where: Base-Base interactions energy: -1309.641 where: short stacking energy: -567.529 Base-Backbone interact. energy: -4.105 local terms energy: -611.215247 where: bonds (distance) C4'-P energy: -114.030 bonds (distance) P-C4' energy: -130.713 flat angles C4'-P-C4' energy: -140.851 flat angles P-C4'-P energy: -81.196 tors. eta vs tors. theta energy: -144.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1450.955082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.955082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.955082 (E_RNA) where: Base-Base interactions energy: -944.849 where: short stacking energy: -397.022 Base-Backbone interact. energy: 0.020 local terms energy: -506.126491 where: bonds (distance) C4'-P energy: -128.637 bonds (distance) P-C4' energy: -110.945 flat angles C4'-P-C4' energy: -121.763 flat angles P-C4'-P energy: -74.015 tors. eta vs tors. theta energy: -70.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1179.907239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.907239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.907239 (E_RNA) where: Base-Base interactions energy: -694.923 where: short stacking energy: -321.377 Base-Backbone interact. energy: -1.960 local terms energy: -483.024626 where: bonds (distance) C4'-P energy: -111.758 bonds (distance) P-C4' energy: -120.953 flat angles C4'-P-C4' energy: -129.059 flat angles P-C4'-P energy: -74.758 tors. eta vs tors. theta energy: -46.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -649.079287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.079287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.079287 (E_RNA) where: Base-Base interactions energy: -229.679 where: short stacking energy: -167.646 Base-Backbone interact. energy: -0.580 local terms energy: -418.820722 where: bonds (distance) C4'-P energy: -100.837 bonds (distance) P-C4' energy: -142.419 flat angles C4'-P-C4' energy: -126.093 flat angles P-C4'-P energy: -65.363 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: 4 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2670.847131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.847131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.847131 (E_RNA) where: Base-Base interactions energy: -1844.902 where: short stacking energy: -792.280 Base-Backbone interact. energy: -8.254 local terms energy: -817.690504 where: bonds (distance) C4'-P energy: -145.956 bonds (distance) P-C4' energy: -143.485 flat angles C4'-P-C4' energy: -180.048 flat angles P-C4'-P energy: -115.172 tors. eta vs tors. theta energy: -233.029 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: 2, replica: 8 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2494.378249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.378249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.378249 (E_RNA) where: Base-Base interactions energy: -1702.700 where: short stacking energy: -745.661 Base-Backbone interact. energy: -0.249 local terms energy: -791.429107 where: bonds (distance) C4'-P energy: -142.379 bonds (distance) P-C4' energy: -152.126 flat angles C4'-P-C4' energy: -167.313 flat angles P-C4'-P energy: -110.485 tors. eta vs tors. theta energy: -219.126 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: 261 Temperature: 1.000000 Total energy: -2385.481819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.481819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.481819 (E_RNA) where: Base-Base interactions energy: -1638.436 where: short stacking energy: -697.493 Base-Backbone interact. energy: -1.872 local terms energy: -745.173450 where: bonds (distance) C4'-P energy: -127.946 bonds (distance) P-C4' energy: -146.604 flat angles C4'-P-C4' energy: -163.653 flat angles P-C4'-P energy: -102.688 tors. eta vs tors. theta energy: -204.283 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: 4, replica: 1 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2353.859248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.859248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.859248 (E_RNA) where: Base-Base interactions energy: -1634.848 where: short stacking energy: -714.443 Base-Backbone interact. energy: -1.543 local terms energy: -717.467885 where: bonds (distance) C4'-P energy: -119.072 bonds (distance) P-C4' energy: -128.324 flat angles C4'-P-C4' energy: -176.136 flat angles P-C4'-P energy: -86.429 tors. eta vs tors. theta energy: -207.507 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: 5, replica: 10 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1995.438597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.438597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.438597 (E_RNA) where: Base-Base interactions energy: -1321.107 where: short stacking energy: -595.752 Base-Backbone interact. energy: -0.159 local terms energy: -674.172276 where: bonds (distance) C4'-P energy: -118.293 bonds (distance) P-C4' energy: -135.558 flat angles C4'-P-C4' energy: -153.678 flat angles P-C4'-P energy: -107.272 tors. eta vs tors. theta energy: -159.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1973.819761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.819761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.819761 (E_RNA) where: Base-Base interactions energy: -1305.554 where: short stacking energy: -575.711 Base-Backbone interact. energy: -4.743 local terms energy: -663.522454 where: bonds (distance) C4'-P energy: -123.612 bonds (distance) P-C4' energy: -137.129 flat angles C4'-P-C4' energy: -144.371 flat angles P-C4'-P energy: -99.965 tors. eta vs tors. theta energy: -158.445 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: 7, replica: 2 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1846.842189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.842189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.842189 (E_RNA) where: Base-Base interactions energy: -1231.416 where: short stacking energy: -527.877 Base-Backbone interact. energy: -0.229 local terms energy: -615.196680 where: bonds (distance) C4'-P energy: -111.714 bonds (distance) P-C4' energy: -129.341 flat angles C4'-P-C4' energy: -152.148 flat angles P-C4'-P energy: -87.219 tors. eta vs tors. theta energy: -134.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1480.998898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.998898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.998898 (E_RNA) where: Base-Base interactions energy: -945.906 where: short stacking energy: -409.677 Base-Backbone interact. energy: -2.203 local terms energy: -532.889251 where: bonds (distance) C4'-P energy: -123.074 bonds (distance) P-C4' energy: -140.552 flat angles C4'-P-C4' energy: -130.469 flat angles P-C4'-P energy: -69.169 tors. eta vs tors. theta energy: -69.626 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: 5 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1140.853278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.853278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.853278 (E_RNA) where: Base-Base interactions energy: -676.090 where: short stacking energy: -329.836 Base-Backbone interact. energy: -1.316 local terms energy: -463.447340 where: bonds (distance) C4'-P energy: -115.434 bonds (distance) P-C4' energy: -113.595 flat angles C4'-P-C4' energy: -117.683 flat angles P-C4'-P energy: -77.471 tors. eta vs tors. theta energy: -39.264 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: 9 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -731.804263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.804263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.804263 (E_RNA) where: Base-Base interactions energy: -329.468 where: short stacking energy: -205.519 Base-Backbone interact. energy: -2.965 local terms energy: -399.371004 where: bonds (distance) C4'-P energy: -110.826 bonds (distance) P-C4' energy: -139.959 flat angles C4'-P-C4' energy: -99.532 flat angles P-C4'-P energy: -72.327 tors. eta vs tors. theta energy: 23.274 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: 1, replica: 4 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2653.101800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.101800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.101800 (E_RNA) where: Base-Base interactions energy: -1824.101 where: short stacking energy: -773.806 Base-Backbone interact. energy: -1.928 local terms energy: -827.072112 where: bonds (distance) C4'-P energy: -149.851 bonds (distance) P-C4' energy: -158.331 flat angles C4'-P-C4' energy: -175.827 flat angles P-C4'-P energy: -113.395 tors. eta vs tors. theta energy: -229.668 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: 8 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2460.868784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.868784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.868784 (E_RNA) where: Base-Base interactions energy: -1692.651 where: short stacking energy: -743.689 Base-Backbone interact. energy: -0.163 local terms energy: -768.055082 where: bonds (distance) C4'-P energy: -131.423 bonds (distance) P-C4' energy: -146.708 flat angles C4'-P-C4' energy: -167.263 flat angles P-C4'-P energy: -110.957 tors. eta vs tors. theta energy: -211.704 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: 7 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2350.567584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.567584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.567584 (E_RNA) where: Base-Base interactions energy: -1625.463 where: short stacking energy: -712.921 Base-Backbone interact. energy: 4.820 local terms energy: -729.924339 where: bonds (distance) C4'-P energy: -127.943 bonds (distance) P-C4' energy: -145.697 flat angles C4'-P-C4' energy: -150.038 flat angles P-C4'-P energy: -104.259 tors. eta vs tors. theta energy: -201.988 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: 1 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2322.829629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.829629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.829629 (E_RNA) where: Base-Base interactions energy: -1586.981 where: short stacking energy: -696.984 Base-Backbone interact. energy: 0.175 local terms energy: -736.023773 where: bonds (distance) C4'-P energy: -134.321 bonds (distance) P-C4' energy: -140.061 flat angles C4'-P-C4' energy: -162.061 flat angles P-C4'-P energy: -97.252 tors. eta vs tors. theta energy: -202.328 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: 5, replica: 10 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2035.002714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.002714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.002714 (E_RNA) where: Base-Base interactions energy: -1361.786 where: short stacking energy: -624.806 Base-Backbone interact. energy: -2.037 local terms energy: -671.179876 where: bonds (distance) C4'-P energy: -118.988 bonds (distance) P-C4' energy: -139.321 flat angles C4'-P-C4' energy: -156.455 flat angles P-C4'-P energy: -99.467 tors. eta vs tors. theta energy: -156.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1901.497286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.497286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.497286 (E_RNA) where: Base-Base interactions energy: -1261.255 where: short stacking energy: -558.039 Base-Backbone interact. energy: -0.552 local terms energy: -639.690465 where: bonds (distance) C4'-P energy: -134.461 bonds (distance) P-C4' energy: -141.211 flat angles C4'-P-C4' energy: -134.129 flat angles P-C4'-P energy: -87.597 tors. eta vs tors. theta energy: -142.292 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: 2 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1777.588502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.588502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.588502 (E_RNA) where: Base-Base interactions energy: -1194.428 where: short stacking energy: -513.043 Base-Backbone interact. energy: -0.972 local terms energy: -582.188466 where: bonds (distance) C4'-P energy: -98.479 bonds (distance) P-C4' energy: -118.543 flat angles C4'-P-C4' energy: -151.529 flat angles P-C4'-P energy: -87.801 tors. eta vs tors. theta energy: -125.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1420.177047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.177047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.177047 (E_RNA) where: Base-Base interactions energy: -916.618 where: short stacking energy: -398.109 Base-Backbone interact. energy: 3.199 local terms energy: -506.758003 where: bonds (distance) C4'-P energy: -110.320 bonds (distance) P-C4' energy: -120.064 flat angles C4'-P-C4' energy: -123.149 flat angles P-C4'-P energy: -87.162 tors. eta vs tors. theta energy: -66.062 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: 5 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1156.607946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.607946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.607946 (E_RNA) where: Base-Base interactions energy: -688.638 where: short stacking energy: -319.332 Base-Backbone interact. energy: -2.619 local terms energy: -465.351523 where: bonds (distance) C4'-P energy: -126.950 bonds (distance) P-C4' energy: -122.071 flat angles C4'-P-C4' energy: -112.146 flat angles P-C4'-P energy: -76.246 tors. eta vs tors. theta energy: -27.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -690.888022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.888022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.888022 (E_RNA) where: Base-Base interactions energy: -310.765 where: short stacking energy: -185.561 Base-Backbone interact. energy: 0.894 local terms energy: -381.016679 where: bonds (distance) C4'-P energy: -116.805 bonds (distance) P-C4' energy: -112.184 flat angles C4'-P-C4' energy: -115.689 flat angles P-C4'-P energy: -60.248 tors. eta vs tors. theta energy: 23.910 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: 4 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2614.046007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.046007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.046007 (E_RNA) where: Base-Base interactions energy: -1804.729 where: short stacking energy: -774.658 Base-Backbone interact. energy: 3.512 local terms energy: -812.829243 where: bonds (distance) C4'-P energy: -150.629 bonds (distance) P-C4' energy: -150.983 flat angles C4'-P-C4' energy: -173.461 flat angles P-C4'-P energy: -110.872 tors. eta vs tors. theta energy: -226.884 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: 2, replica: 8 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2480.240022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.240022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.240022 (E_RNA) where: Base-Base interactions energy: -1694.728 where: short stacking energy: -733.402 Base-Backbone interact. energy: -4.392 local terms energy: -781.119926 where: bonds (distance) C4'-P energy: -135.912 bonds (distance) P-C4' energy: -154.619 flat angles C4'-P-C4' energy: -166.821 flat angles P-C4'-P energy: -106.393 tors. eta vs tors. theta energy: -217.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2341.809279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.809279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.809279 (E_RNA) where: Base-Base interactions energy: -1607.051 where: short stacking energy: -673.680 Base-Backbone interact. energy: 2.340 local terms energy: -737.098683 where: bonds (distance) C4'-P energy: -133.531 bonds (distance) P-C4' energy: -146.295 flat angles C4'-P-C4' energy: -158.026 flat angles P-C4'-P energy: -104.223 tors. eta vs tors. theta energy: -195.024 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: 1 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2271.641828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.641828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.641828 (E_RNA) where: Base-Base interactions energy: -1532.599 where: short stacking energy: -665.085 Base-Backbone interact. energy: -2.160 local terms energy: -736.882118 where: bonds (distance) C4'-P energy: -135.521 bonds (distance) P-C4' energy: -142.952 flat angles C4'-P-C4' energy: -158.808 flat angles P-C4'-P energy: -114.692 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: 5, replica: 10 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2109.875986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.875986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.875986 (E_RNA) where: Base-Base interactions energy: -1427.008 where: short stacking energy: -594.657 Base-Backbone interact. energy: -0.874 local terms energy: -681.993988 where: bonds (distance) C4'-P energy: -125.731 bonds (distance) P-C4' energy: -145.864 flat angles C4'-P-C4' energy: -154.354 flat angles P-C4'-P energy: -83.060 tors. eta vs tors. theta energy: -172.984 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: 3 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1974.096652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.096652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.096652 (E_RNA) where: Base-Base interactions energy: -1343.458 where: short stacking energy: -580.138 Base-Backbone interact. energy: -4.749 local terms energy: -625.889890 where: bonds (distance) C4'-P energy: -114.977 bonds (distance) P-C4' energy: -137.890 flat angles C4'-P-C4' energy: -127.831 flat angles P-C4'-P energy: -94.398 tors. eta vs tors. theta energy: -150.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1698.461280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.461280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.461280 (E_RNA) where: Base-Base interactions energy: -1173.430 where: short stacking energy: -508.193 Base-Backbone interact. energy: 0.854 local terms energy: -525.884902 where: bonds (distance) C4'-P energy: -109.291 bonds (distance) P-C4' energy: -106.903 flat angles C4'-P-C4' energy: -130.919 flat angles P-C4'-P energy: -75.947 tors. eta vs tors. theta energy: -102.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1464.480503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.480503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.480503 (E_RNA) where: Base-Base interactions energy: -967.227 where: short stacking energy: -423.246 Base-Backbone interact. energy: -0.271 local terms energy: -496.982429 where: bonds (distance) C4'-P energy: -100.265 bonds (distance) P-C4' energy: -135.853 flat angles C4'-P-C4' energy: -109.525 flat angles P-C4'-P energy: -82.388 tors. eta vs tors. theta energy: -68.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1189.068169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.068169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.068169 (E_RNA) where: Base-Base interactions energy: -706.785 where: short stacking energy: -328.372 Base-Backbone interact. energy: -4.193 local terms energy: -478.089379 where: bonds (distance) C4'-P energy: -118.192 bonds (distance) P-C4' energy: -126.794 flat angles C4'-P-C4' energy: -121.667 flat angles P-C4'-P energy: -78.434 tors. eta vs tors. theta energy: -33.003 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: 9 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -772.117815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.117815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.117815 (E_RNA) where: Base-Base interactions energy: -358.735 where: short stacking energy: -201.925 Base-Backbone interact. energy: 0.976 local terms energy: -414.358458 where: bonds (distance) C4'-P energy: -115.035 bonds (distance) P-C4' energy: -125.090 flat angles C4'-P-C4' energy: -108.946 flat angles P-C4'-P energy: -50.903 tors. eta vs tors. theta energy: -14.384 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: 4 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2632.634348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.634348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.634348 (E_RNA) where: Base-Base interactions energy: -1856.289 where: short stacking energy: -777.104 Base-Backbone interact. energy: -2.656 local terms energy: -773.689103 where: bonds (distance) C4'-P energy: -156.096 bonds (distance) P-C4' energy: -141.887 flat angles C4'-P-C4' energy: -158.105 flat angles P-C4'-P energy: -98.052 tors. eta vs tors. theta energy: -219.549 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: 8 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2502.972855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.972855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.972855 (E_RNA) where: Base-Base interactions energy: -1707.897 where: short stacking energy: -738.871 Base-Backbone interact. energy: 1.959 local terms energy: -797.035241 where: bonds (distance) C4'-P energy: -141.330 bonds (distance) P-C4' energy: -154.691 flat angles C4'-P-C4' energy: -174.751 flat angles P-C4'-P energy: -110.896 tors. eta vs tors. theta energy: -215.367 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: 7 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2377.459462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.459462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.459462 (E_RNA) where: Base-Base interactions energy: -1603.430 where: short stacking energy: -690.463 Base-Backbone interact. energy: -0.270 local terms energy: -773.759352 where: bonds (distance) C4'-P energy: -139.888 bonds (distance) P-C4' energy: -149.504 flat angles C4'-P-C4' energy: -171.547 flat angles P-C4'-P energy: -105.987 tors. eta vs tors. theta energy: -206.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2305.921980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.921980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.921980 (E_RNA) where: Base-Base interactions energy: -1593.043 where: short stacking energy: -681.547 Base-Backbone interact. energy: -2.003 local terms energy: -710.876469 where: bonds (distance) C4'-P energy: -136.340 bonds (distance) P-C4' energy: -148.912 flat angles C4'-P-C4' energy: -149.432 flat angles P-C4'-P energy: -90.281 tors. eta vs tors. theta energy: -185.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2083.093860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.093860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.093860 (E_RNA) where: Base-Base interactions energy: -1387.257 where: short stacking energy: -598.235 Base-Backbone interact. energy: -1.262 local terms energy: -694.574139 where: bonds (distance) C4'-P energy: -122.382 bonds (distance) P-C4' energy: -141.119 flat angles C4'-P-C4' energy: -144.671 flat angles P-C4'-P energy: -117.400 tors. eta vs tors. theta energy: -169.002 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: 264 Temperature: 1.150000 Total energy: -2003.663515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.663515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.663515 (E_RNA) where: Base-Base interactions energy: -1351.818 where: short stacking energy: -587.101 Base-Backbone interact. energy: -3.306 local terms energy: -648.539648 where: bonds (distance) C4'-P energy: -131.228 bonds (distance) P-C4' energy: -125.646 flat angles C4'-P-C4' energy: -146.581 flat angles P-C4'-P energy: -83.811 tors. eta vs tors. theta energy: -161.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1698.514447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.514447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.514447 (E_RNA) where: Base-Base interactions energy: -1088.239 where: short stacking energy: -489.323 Base-Backbone interact. energy: -2.319 local terms energy: -607.956182 where: bonds (distance) C4'-P energy: -124.974 bonds (distance) P-C4' energy: -107.844 flat angles C4'-P-C4' energy: -152.068 flat angles P-C4'-P energy: -93.500 tors. eta vs tors. theta energy: -129.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1477.866948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.866948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.866948 (E_RNA) where: Base-Base interactions energy: -932.695 where: short stacking energy: -410.593 Base-Backbone interact. energy: -2.233 local terms energy: -542.938625 where: bonds (distance) C4'-P energy: -137.526 bonds (distance) P-C4' energy: -122.247 flat angles C4'-P-C4' energy: -126.651 flat angles P-C4'-P energy: -68.500 tors. eta vs tors. theta energy: -88.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1035.229386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.229386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.229386 (E_RNA) where: Base-Base interactions energy: -569.044 where: short stacking energy: -284.709 Base-Backbone interact. energy: 1.825 local terms energy: -468.009705 where: bonds (distance) C4'-P energy: -110.163 bonds (distance) P-C4' energy: -130.144 flat angles C4'-P-C4' energy: -124.814 flat angles P-C4'-P energy: -80.015 tors. eta vs tors. theta energy: -22.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -795.119221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.119221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.119221 (E_RNA) where: Base-Base interactions energy: -386.736 where: short stacking energy: -220.483 Base-Backbone interact. energy: -2.783 local terms energy: -405.600087 where: bonds (distance) C4'-P energy: -111.010 bonds (distance) P-C4' energy: -129.029 flat angles C4'-P-C4' energy: -100.028 flat angles P-C4'-P energy: -72.658 tors. eta vs tors. theta energy: 7.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2646.269015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.269015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.269015 (E_RNA) where: Base-Base interactions energy: -1843.939 where: short stacking energy: -791.859 Base-Backbone interact. energy: -3.893 local terms energy: -798.437722 where: bonds (distance) C4'-P energy: -137.028 bonds (distance) P-C4' energy: -153.521 flat angles C4'-P-C4' energy: -166.314 flat angles P-C4'-P energy: -117.047 tors. eta vs tors. theta energy: -224.527 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: 2, replica: 8 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2470.706294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.706294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.706294 (E_RNA) where: Base-Base interactions energy: -1690.306 where: short stacking energy: -745.979 Base-Backbone interact. energy: 1.578 local terms energy: -781.978474 where: bonds (distance) C4'-P energy: -139.469 bonds (distance) P-C4' energy: -141.636 flat angles C4'-P-C4' energy: -172.521 flat angles P-C4'-P energy: -114.393 tors. eta vs tors. theta energy: -213.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2373.932095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.932095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.932095 (E_RNA) where: Base-Base interactions energy: -1609.796 where: short stacking energy: -686.900 Base-Backbone interact. energy: -2.000 local terms energy: -762.135963 where: bonds (distance) C4'-P energy: -127.160 bonds (distance) P-C4' energy: -147.518 flat angles C4'-P-C4' energy: -165.507 flat angles P-C4'-P energy: -116.179 tors. eta vs tors. theta energy: -205.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2267.617487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.617487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.617487 (E_RNA) where: Base-Base interactions energy: -1547.035 where: short stacking energy: -654.764 Base-Backbone interact. energy: -1.761 local terms energy: -718.821227 where: bonds (distance) C4'-P energy: -148.231 bonds (distance) P-C4' energy: -133.487 flat angles C4'-P-C4' energy: -151.448 flat angles P-C4'-P energy: -108.254 tors. eta vs tors. theta energy: -177.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2056.078483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.078483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.078483 (E_RNA) where: Base-Base interactions energy: -1392.175 where: short stacking energy: -639.689 Base-Backbone interact. energy: -0.026 local terms energy: -663.878168 where: bonds (distance) C4'-P energy: -117.548 bonds (distance) P-C4' energy: -127.057 flat angles C4'-P-C4' energy: -146.143 flat angles P-C4'-P energy: -93.112 tors. eta vs tors. theta energy: -180.018 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: 10 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2086.652411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.652411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.652411 (E_RNA) where: Base-Base interactions energy: -1394.347 where: short stacking energy: -616.024 Base-Backbone interact. energy: -1.670 local terms energy: -690.635767 where: bonds (distance) C4'-P energy: -110.840 bonds (distance) P-C4' energy: -154.767 flat angles C4'-P-C4' energy: -142.924 flat angles P-C4'-P energy: -91.099 tors. eta vs tors. theta energy: -191.006 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: 2 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1689.360258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.360258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.360258 (E_RNA) where: Base-Base interactions energy: -1102.592 where: short stacking energy: -489.346 Base-Backbone interact. energy: -3.091 local terms energy: -583.677152 where: bonds (distance) C4'-P energy: -131.055 bonds (distance) P-C4' energy: -139.226 flat angles C4'-P-C4' energy: -134.833 flat angles P-C4'-P energy: -72.153 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: 8, replica: 6 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1523.773511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.773511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.773511 (E_RNA) where: Base-Base interactions energy: -999.423 where: short stacking energy: -448.701 Base-Backbone interact. energy: 3.323 local terms energy: -527.672788 where: bonds (distance) C4'-P energy: -133.111 bonds (distance) P-C4' energy: -112.515 flat angles C4'-P-C4' energy: -133.821 flat angles P-C4'-P energy: -58.392 tors. eta vs tors. theta energy: -89.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1026.191094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.191094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.191094 (E_RNA) where: Base-Base interactions energy: -594.909 where: short stacking energy: -312.924 Base-Backbone interact. energy: -2.464 local terms energy: -428.818715 where: bonds (distance) C4'-P energy: -108.644 bonds (distance) P-C4' energy: -125.713 flat angles C4'-P-C4' energy: -97.697 flat angles P-C4'-P energy: -71.117 tors. eta vs tors. theta energy: -25.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -754.732834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.732834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.732834 (E_RNA) where: Base-Base interactions energy: -365.683 where: short stacking energy: -183.746 Base-Backbone interact. energy: -3.940 local terms energy: -385.110448 where: bonds (distance) C4'-P energy: -115.884 bonds (distance) P-C4' energy: -119.402 flat angles C4'-P-C4' energy: -120.522 flat angles P-C4'-P energy: -42.343 tors. eta vs tors. theta energy: 13.040 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: 1, replica: 4 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2636.493512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.493512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.493512 (E_RNA) where: Base-Base interactions energy: -1816.225 where: short stacking energy: -775.417 Base-Backbone interact. energy: -4.851 local terms energy: -815.416826 where: bonds (distance) C4'-P energy: -147.439 bonds (distance) P-C4' energy: -161.218 flat angles C4'-P-C4' energy: -171.580 flat angles P-C4'-P energy: -103.536 tors. eta vs tors. theta energy: -231.644 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: 2, replica: 8 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2502.861341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.861341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.861341 (E_RNA) where: Base-Base interactions energy: -1708.382 where: short stacking energy: -773.226 Base-Backbone interact. energy: -0.580 local terms energy: -793.899548 where: bonds (distance) C4'-P energy: -144.363 bonds (distance) P-C4' energy: -138.364 flat angles C4'-P-C4' energy: -171.883 flat angles P-C4'-P energy: -109.889 tors. eta vs tors. theta energy: -229.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2389.755893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.755893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.755893 (E_RNA) where: Base-Base interactions energy: -1642.442 where: short stacking energy: -695.625 Base-Backbone interact. energy: -4.345 local terms energy: -742.968198 where: bonds (distance) C4'-P energy: -124.889 bonds (distance) P-C4' energy: -159.494 flat angles C4'-P-C4' energy: -151.060 flat angles P-C4'-P energy: -96.695 tors. eta vs tors. theta energy: -210.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2265.336209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.336209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.336209 (E_RNA) where: Base-Base interactions energy: -1579.621 where: short stacking energy: -653.442 Base-Backbone interact. energy: -5.623 local terms energy: -680.092074 where: bonds (distance) C4'-P energy: -129.241 bonds (distance) P-C4' energy: -137.107 flat angles C4'-P-C4' energy: -147.509 flat angles P-C4'-P energy: -88.992 tors. eta vs tors. theta energy: -177.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2065.349162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.349162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.349162 (E_RNA) where: Base-Base interactions energy: -1364.867 where: short stacking energy: -591.789 Base-Backbone interact. energy: 0.703 local terms energy: -701.185458 where: bonds (distance) C4'-P energy: -135.597 bonds (distance) P-C4' energy: -142.904 flat angles C4'-P-C4' energy: -160.283 flat angles P-C4'-P energy: -102.252 tors. eta vs tors. theta energy: -160.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1990.983369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.983369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.983369 (E_RNA) where: Base-Base interactions energy: -1348.780 where: short stacking energy: -578.256 Base-Backbone interact. energy: -0.228 local terms energy: -641.976058 where: bonds (distance) C4'-P energy: -121.519 bonds (distance) P-C4' energy: -129.483 flat angles C4'-P-C4' energy: -145.181 flat angles P-C4'-P energy: -95.024 tors. eta vs tors. theta energy: -150.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1725.167689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.167689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.167689 (E_RNA) where: Base-Base interactions energy: -1130.385 where: short stacking energy: -497.235 Base-Backbone interact. energy: -3.875 local terms energy: -590.907672 where: bonds (distance) C4'-P energy: -105.424 bonds (distance) P-C4' energy: -129.177 flat angles C4'-P-C4' energy: -148.364 flat angles P-C4'-P energy: -88.903 tors. eta vs tors. theta energy: -119.041 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: 266 Temperature: 1.250000 Total energy: -1560.484861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.484861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.484861 (E_RNA) where: Base-Base interactions energy: -1034.882 where: short stacking energy: -428.978 Base-Backbone interact. energy: -2.320 local terms energy: -523.282547 where: bonds (distance) C4'-P energy: -105.561 bonds (distance) P-C4' energy: -128.940 flat angles C4'-P-C4' energy: -116.721 flat angles P-C4'-P energy: -82.353 tors. eta vs tors. theta energy: -89.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1160.665103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.665103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.665103 (E_RNA) where: Base-Base interactions energy: -678.551 where: short stacking energy: -322.462 Base-Backbone interact. energy: -2.367 local terms energy: -479.747652 where: bonds (distance) C4'-P energy: -130.277 bonds (distance) P-C4' energy: -97.857 flat angles C4'-P-C4' energy: -132.671 flat angles P-C4'-P energy: -76.395 tors. eta vs tors. theta energy: -42.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -699.227434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.227434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.227434 (E_RNA) where: Base-Base interactions energy: -345.790 where: short stacking energy: -218.000 Base-Backbone interact. energy: 8.139 local terms energy: -361.576405 where: bonds (distance) C4'-P energy: -100.556 bonds (distance) P-C4' energy: -116.236 flat angles C4'-P-C4' energy: -116.269 flat angles P-C4'-P energy: -40.524 tors. eta vs tors. theta energy: 12.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2653.397448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.397448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.397448 (E_RNA) where: Base-Base interactions energy: -1836.198 where: short stacking energy: -794.998 Base-Backbone interact. energy: -2.135 local terms energy: -815.064346 where: bonds (distance) C4'-P energy: -159.994 bonds (distance) P-C4' energy: -141.361 flat angles C4'-P-C4' energy: -177.415 flat angles P-C4'-P energy: -113.858 tors. eta vs tors. theta energy: -222.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2552.749418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.749418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.749418 (E_RNA) where: Base-Base interactions energy: -1743.201 where: short stacking energy: -770.158 Base-Backbone interact. energy: -2.600 local terms energy: -806.947897 where: bonds (distance) C4'-P energy: -146.132 bonds (distance) P-C4' energy: -158.513 flat angles C4'-P-C4' energy: -169.563 flat angles P-C4'-P energy: -109.105 tors. eta vs tors. theta energy: -223.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2386.948536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.948536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.948536 (E_RNA) where: Base-Base interactions energy: -1633.120 where: short stacking energy: -692.380 Base-Backbone interact. energy: -4.348 local terms energy: -749.480399 where: bonds (distance) C4'-P energy: -130.377 bonds (distance) P-C4' energy: -147.704 flat angles C4'-P-C4' energy: -168.656 flat angles P-C4'-P energy: -110.519 tors. eta vs tors. theta energy: -192.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2298.383136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.383136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.383136 (E_RNA) where: Base-Base interactions energy: -1572.046 where: short stacking energy: -700.994 Base-Backbone interact. energy: -2.645 local terms energy: -723.692019 where: bonds (distance) C4'-P energy: -144.098 bonds (distance) P-C4' energy: -132.270 flat angles C4'-P-C4' energy: -155.879 flat angles P-C4'-P energy: -95.107 tors. eta vs tors. theta energy: -196.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2069.935723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.935723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.935723 (E_RNA) where: Base-Base interactions energy: -1376.334 where: short stacking energy: -617.605 Base-Backbone interact. energy: -2.736 local terms energy: -690.865403 where: bonds (distance) C4'-P energy: -129.381 bonds (distance) P-C4' energy: -130.705 flat angles C4'-P-C4' energy: -158.812 flat angles P-C4'-P energy: -95.196 tors. eta vs tors. theta energy: -176.772 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: 3 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2009.491785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.491785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.491785 (E_RNA) where: Base-Base interactions energy: -1330.097 where: short stacking energy: -573.740 Base-Backbone interact. energy: -2.980 local terms energy: -676.414291 where: bonds (distance) C4'-P energy: -129.958 bonds (distance) P-C4' energy: -141.360 flat angles C4'-P-C4' energy: -134.604 flat angles P-C4'-P energy: -94.520 tors. eta vs tors. theta energy: -175.972 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: 2 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1677.537250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.537250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.537250 (E_RNA) where: Base-Base interactions energy: -1072.712 where: short stacking energy: -457.830 Base-Backbone interact. energy: 0.491 local terms energy: -605.315974 where: bonds (distance) C4'-P energy: -109.892 bonds (distance) P-C4' energy: -136.643 flat angles C4'-P-C4' energy: -151.312 flat angles P-C4'-P energy: -92.891 tors. eta vs tors. theta energy: -114.579 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: 6 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1490.947877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.947877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.947877 (E_RNA) where: Base-Base interactions energy: -965.195 where: short stacking energy: -426.795 Base-Backbone interact. energy: -2.051 local terms energy: -523.702357 where: bonds (distance) C4'-P energy: -128.054 bonds (distance) P-C4' energy: -133.773 flat angles C4'-P-C4' energy: -111.786 flat angles P-C4'-P energy: -76.213 tors. eta vs tors. theta energy: -73.876 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: 5 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1114.175739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.175739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.175739 (E_RNA) where: Base-Base interactions energy: -654.877 where: short stacking energy: -335.068 Base-Backbone interact. energy: 10.213 local terms energy: -469.511733 where: bonds (distance) C4'-P energy: -115.536 bonds (distance) P-C4' energy: -121.658 flat angles C4'-P-C4' energy: -120.785 flat angles P-C4'-P energy: -72.660 tors. eta vs tors. theta energy: -38.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -733.923234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.923234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.923234 (E_RNA) where: Base-Base interactions energy: -310.129 where: short stacking energy: -193.680 Base-Backbone interact. energy: -0.414 local terms energy: -423.379363 where: bonds (distance) C4'-P energy: -121.946 bonds (distance) P-C4' energy: -136.003 flat angles C4'-P-C4' energy: -105.529 flat angles P-C4'-P energy: -77.167 tors. eta vs tors. theta energy: 17.265 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: 1, replica: 4 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2651.521800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.521800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.521800 (E_RNA) where: Base-Base interactions energy: -1846.885 where: short stacking energy: -797.410 Base-Backbone interact. energy: -3.785 local terms energy: -800.852080 where: bonds (distance) C4'-P energy: -141.353 bonds (distance) P-C4' energy: -148.015 flat angles C4'-P-C4' energy: -171.545 flat angles P-C4'-P energy: -120.389 tors. eta vs tors. theta energy: -219.549 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: 8 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2516.672405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.672405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.672405 (E_RNA) where: Base-Base interactions energy: -1754.848 where: short stacking energy: -767.599 Base-Backbone interact. energy: -0.985 local terms energy: -760.839613 where: bonds (distance) C4'-P energy: -125.363 bonds (distance) P-C4' energy: -136.574 flat angles C4'-P-C4' energy: -169.466 flat angles P-C4'-P energy: -118.293 tors. eta vs tors. theta energy: -211.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2393.574392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.574392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.574392 (E_RNA) where: Base-Base interactions energy: -1642.376 where: short stacking energy: -704.086 Base-Backbone interact. energy: 0.873 local terms energy: -752.071532 where: bonds (distance) C4'-P energy: -126.121 bonds (distance) P-C4' energy: -149.323 flat angles C4'-P-C4' energy: -157.383 flat angles P-C4'-P energy: -106.009 tors. eta vs tors. theta energy: -213.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2235.655039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.655039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.655039 (E_RNA) where: Base-Base interactions energy: -1515.919 where: short stacking energy: -626.260 Base-Backbone interact. energy: -1.944 local terms energy: -717.792313 where: bonds (distance) C4'-P energy: -149.285 bonds (distance) P-C4' energy: -141.984 flat angles C4'-P-C4' energy: -159.711 flat angles P-C4'-P energy: -96.213 tors. eta vs tors. theta energy: -170.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2064.873067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.873067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.873067 (E_RNA) where: Base-Base interactions energy: -1395.155 where: short stacking energy: -602.851 Base-Backbone interact. energy: -3.182 local terms energy: -666.535316 where: bonds (distance) C4'-P energy: -128.562 bonds (distance) P-C4' energy: -131.085 flat angles C4'-P-C4' energy: -144.191 flat angles P-C4'-P energy: -104.276 tors. eta vs tors. theta energy: -158.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1975.948133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.948133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.948133 (E_RNA) where: Base-Base interactions energy: -1325.901 where: short stacking energy: -561.575 Base-Backbone interact. energy: -4.044 local terms energy: -646.003229 where: bonds (distance) C4'-P energy: -145.722 bonds (distance) P-C4' energy: -131.994 flat angles C4'-P-C4' energy: -144.696 flat angles P-C4'-P energy: -71.204 tors. eta vs tors. theta energy: -152.388 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: 2 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1709.441840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.441840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.441840 (E_RNA) where: Base-Base interactions energy: -1149.908 where: short stacking energy: -479.689 Base-Backbone interact. energy: -2.944 local terms energy: -556.589610 where: bonds (distance) C4'-P energy: -110.842 bonds (distance) P-C4' energy: -117.709 flat angles C4'-P-C4' energy: -137.193 flat angles P-C4'-P energy: -80.762 tors. eta vs tors. theta energy: -110.084 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: 6 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1463.582589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.582589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.582589 (E_RNA) where: Base-Base interactions energy: -942.076 where: short stacking energy: -436.826 Base-Backbone interact. energy: -0.205 local terms energy: -521.301851 where: bonds (distance) C4'-P energy: -116.014 bonds (distance) P-C4' energy: -116.270 flat angles C4'-P-C4' energy: -138.660 flat angles P-C4'-P energy: -65.339 tors. eta vs tors. theta energy: -85.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1122.774251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.774251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.774251 (E_RNA) where: Base-Base interactions energy: -664.174 where: short stacking energy: -304.220 Base-Backbone interact. energy: -1.236 local terms energy: -457.364737 where: bonds (distance) C4'-P energy: -117.292 bonds (distance) P-C4' energy: -125.538 flat angles C4'-P-C4' energy: -129.195 flat angles P-C4'-P energy: -61.814 tors. eta vs tors. theta energy: -23.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -708.289402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.289402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.289402 (E_RNA) where: Base-Base interactions energy: -291.262 where: short stacking energy: -183.368 Base-Backbone interact. energy: -2.584 local terms energy: -414.443849 where: bonds (distance) C4'-P energy: -136.236 bonds (distance) P-C4' energy: -130.484 flat angles C4'-P-C4' energy: -108.560 flat angles P-C4'-P energy: -49.863 tors. eta vs tors. theta energy: 10.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2658.428238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.428238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.428238 (E_RNA) where: Base-Base interactions energy: -1824.889 where: short stacking energy: -781.245 Base-Backbone interact. energy: -3.058 local terms energy: -830.481260 where: bonds (distance) C4'-P energy: -151.493 bonds (distance) P-C4' energy: -165.410 flat angles C4'-P-C4' energy: -174.452 flat angles P-C4'-P energy: -115.742 tors. eta vs tors. theta energy: -223.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2539.351287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.351287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.351287 (E_RNA) where: Base-Base interactions energy: -1756.856 where: short stacking energy: -791.104 Base-Backbone interact. energy: -2.169 local terms energy: -780.327127 where: bonds (distance) C4'-P energy: -135.940 bonds (distance) P-C4' energy: -140.481 flat angles C4'-P-C4' energy: -147.153 flat angles P-C4'-P energy: -121.091 tors. eta vs tors. theta energy: -235.663 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: 7 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2388.975389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.975389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.975389 (E_RNA) where: Base-Base interactions energy: -1641.671 where: short stacking energy: -738.118 Base-Backbone interact. energy: -0.066 local terms energy: -747.238471 where: bonds (distance) C4'-P energy: -134.114 bonds (distance) P-C4' energy: -141.401 flat angles C4'-P-C4' energy: -169.224 flat angles P-C4'-P energy: -104.072 tors. eta vs tors. theta energy: -198.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2231.270635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.270635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.270635 (E_RNA) where: Base-Base interactions energy: -1543.132 where: short stacking energy: -657.029 Base-Backbone interact. energy: -3.426 local terms energy: -684.712018 where: bonds (distance) C4'-P energy: -134.448 bonds (distance) P-C4' energy: -131.646 flat angles C4'-P-C4' energy: -152.016 flat angles P-C4'-P energy: -92.851 tors. eta vs tors. theta energy: -173.751 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: 5, replica: 10 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2049.867520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.867520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.867520 (E_RNA) where: Base-Base interactions energy: -1395.876 where: short stacking energy: -619.485 Base-Backbone interact. energy: 0.155 local terms energy: -654.146352 where: bonds (distance) C4'-P energy: -128.838 bonds (distance) P-C4' energy: -133.768 flat angles C4'-P-C4' energy: -149.795 flat angles P-C4'-P energy: -85.866 tors. eta vs tors. theta energy: -155.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1971.502736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.502736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.502736 (E_RNA) where: Base-Base interactions energy: -1332.060 where: short stacking energy: -576.175 Base-Backbone interact. energy: -3.326 local terms energy: -636.116290 where: bonds (distance) C4'-P energy: -113.044 bonds (distance) P-C4' energy: -118.974 flat angles C4'-P-C4' energy: -143.163 flat angles P-C4'-P energy: -101.592 tors. eta vs tors. theta energy: -159.344 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: 7, replica: 2 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1733.081920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.081920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.081920 (E_RNA) where: Base-Base interactions energy: -1137.826 where: short stacking energy: -501.758 Base-Backbone interact. energy: -0.576 local terms energy: -594.679429 where: bonds (distance) C4'-P energy: -125.868 bonds (distance) P-C4' energy: -138.497 flat angles C4'-P-C4' energy: -128.585 flat angles P-C4'-P energy: -81.000 tors. eta vs tors. theta energy: -120.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1455.236874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.236874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.236874 (E_RNA) where: Base-Base interactions energy: -916.588 where: short stacking energy: -403.723 Base-Backbone interact. energy: -0.126 local terms energy: -538.523087 where: bonds (distance) C4'-P energy: -119.095 bonds (distance) P-C4' energy: -143.971 flat angles C4'-P-C4' energy: -121.250 flat angles P-C4'-P energy: -86.843 tors. eta vs tors. theta energy: -67.364 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: 5 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1112.277287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.277287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.277287 (E_RNA) where: Base-Base interactions energy: -678.870 where: short stacking energy: -313.729 Base-Backbone interact. energy: -0.762 local terms energy: -432.645038 where: bonds (distance) C4'-P energy: -116.998 bonds (distance) P-C4' energy: -112.551 flat angles C4'-P-C4' energy: -114.501 flat angles P-C4'-P energy: -60.692 tors. eta vs tors. theta energy: -27.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -750.295187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.295187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.295187 (E_RNA) where: Base-Base interactions energy: -355.688 where: short stacking energy: -198.903 Base-Backbone interact. energy: -0.277 local terms energy: -394.330174 where: bonds (distance) C4'-P energy: -114.637 bonds (distance) P-C4' energy: -123.206 flat angles C4'-P-C4' energy: -105.609 flat angles P-C4'-P energy: -65.289 tors. eta vs tors. theta energy: 14.410 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: 4 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2678.507839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.507839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.507839 (E_RNA) where: Base-Base interactions energy: -1853.097 where: short stacking energy: -773.522 Base-Backbone interact. energy: -4.864 local terms energy: -820.546452 where: bonds (distance) C4'-P energy: -150.358 bonds (distance) P-C4' energy: -150.386 flat angles C4'-P-C4' energy: -164.438 flat angles P-C4'-P energy: -129.625 tors. eta vs tors. theta energy: -225.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2503.369551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.369551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.369551 (E_RNA) where: Base-Base interactions energy: -1715.858 where: short stacking energy: -760.790 Base-Backbone interact. energy: -4.105 local terms energy: -783.406676 where: bonds (distance) C4'-P energy: -141.122 bonds (distance) P-C4' energy: -148.731 flat angles C4'-P-C4' energy: -160.819 flat angles P-C4'-P energy: -109.000 tors. eta vs tors. theta energy: -223.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2380.343771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.343771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.343771 (E_RNA) where: Base-Base interactions energy: -1646.895 where: short stacking energy: -717.884 Base-Backbone interact. energy: 0.532 local terms energy: -733.980632 where: bonds (distance) C4'-P energy: -129.547 bonds (distance) P-C4' energy: -130.524 flat angles C4'-P-C4' energy: -154.327 flat angles P-C4'-P energy: -108.844 tors. eta vs tors. theta energy: -210.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2205.777503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.777503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.777503 (E_RNA) where: Base-Base interactions energy: -1525.896 where: short stacking energy: -656.267 Base-Backbone interact. energy: -2.280 local terms energy: -677.601442 where: bonds (distance) C4'-P energy: -138.823 bonds (distance) P-C4' energy: -134.887 flat angles C4'-P-C4' energy: -147.763 flat angles P-C4'-P energy: -99.470 tors. eta vs tors. theta energy: -156.658 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: 10 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2075.004339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.004339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.004339 (E_RNA) where: Base-Base interactions energy: -1423.978 where: short stacking energy: -608.578 Base-Backbone interact. energy: -0.864 local terms energy: -650.163086 where: bonds (distance) C4'-P energy: -133.720 bonds (distance) P-C4' energy: -118.276 flat angles C4'-P-C4' energy: -142.272 flat angles P-C4'-P energy: -91.970 tors. eta vs tors. theta energy: -163.924 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: 6, replica: 3 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1931.279044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.279044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.279044 (E_RNA) where: Base-Base interactions energy: -1282.142 where: short stacking energy: -567.079 Base-Backbone interact. energy: -2.753 local terms energy: -646.383780 where: bonds (distance) C4'-P energy: -118.923 bonds (distance) P-C4' energy: -129.823 flat angles C4'-P-C4' energy: -151.510 flat angles P-C4'-P energy: -99.184 tors. eta vs tors. theta energy: -146.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1715.991274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.991274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.991274 (E_RNA) where: Base-Base interactions energy: -1146.369 where: short stacking energy: -509.207 Base-Backbone interact. energy: 0.134 local terms energy: -569.755777 where: bonds (distance) C4'-P energy: -101.889 bonds (distance) P-C4' energy: -132.256 flat angles C4'-P-C4' energy: -140.676 flat angles P-C4'-P energy: -77.072 tors. eta vs tors. theta energy: -117.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1474.378015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.378015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.378015 (E_RNA) where: Base-Base interactions energy: -935.857 where: short stacking energy: -429.449 Base-Backbone interact. energy: -2.459 local terms energy: -536.062864 where: bonds (distance) C4'-P energy: -130.422 bonds (distance) P-C4' energy: -125.981 flat angles C4'-P-C4' energy: -109.593 flat angles P-C4'-P energy: -70.701 tors. eta vs tors. theta energy: -99.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1155.223466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.223466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.223466 (E_RNA) where: Base-Base interactions energy: -693.200 where: short stacking energy: -314.603 Base-Backbone interact. energy: 0.243 local terms energy: -462.266545 where: bonds (distance) C4'-P energy: -123.866 bonds (distance) P-C4' energy: -112.807 flat angles C4'-P-C4' energy: -116.611 flat angles P-C4'-P energy: -64.406 tors. eta vs tors. theta energy: -44.578 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: 9 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -806.346340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.346340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.346340 (E_RNA) where: Base-Base interactions energy: -447.202 where: short stacking energy: -260.320 Base-Backbone interact. energy: 4.911 local terms energy: -364.055409 where: bonds (distance) C4'-P energy: -84.215 bonds (distance) P-C4' energy: -106.856 flat angles C4'-P-C4' energy: -111.371 flat angles P-C4'-P energy: -60.199 tors. eta vs tors. theta energy: -1.415 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: 4 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2671.715395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.715395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.715395 (E_RNA) where: Base-Base interactions energy: -1862.124 where: short stacking energy: -779.046 Base-Backbone interact. energy: -2.665 local terms energy: -806.926426 where: bonds (distance) C4'-P energy: -137.870 bonds (distance) P-C4' energy: -153.612 flat angles C4'-P-C4' energy: -173.941 flat angles P-C4'-P energy: -114.721 tors. eta vs tors. theta energy: -226.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2533.408650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.408650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.408650 (E_RNA) where: Base-Base interactions energy: -1723.661 where: short stacking energy: -772.797 Base-Backbone interact. energy: -1.318 local terms energy: -808.429177 where: bonds (distance) C4'-P energy: -148.649 bonds (distance) P-C4' energy: -150.374 flat angles C4'-P-C4' energy: -164.158 flat angles P-C4'-P energy: -118.517 tors. eta vs tors. theta energy: -226.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2375.069549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.069549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.069549 (E_RNA) where: Base-Base interactions energy: -1655.028 where: short stacking energy: -698.704 Base-Backbone interact. energy: -3.585 local terms energy: -716.456294 where: bonds (distance) C4'-P energy: -124.240 bonds (distance) P-C4' energy: -134.186 flat angles C4'-P-C4' energy: -155.444 flat angles P-C4'-P energy: -97.084 tors. eta vs tors. theta energy: -205.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2266.891291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.891291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.891291 (E_RNA) where: Base-Base interactions energy: -1533.954 where: short stacking energy: -670.214 Base-Backbone interact. energy: -3.343 local terms energy: -729.594403 where: bonds (distance) C4'-P energy: -134.613 bonds (distance) P-C4' energy: -138.778 flat angles C4'-P-C4' energy: -167.531 flat angles P-C4'-P energy: -108.597 tors. eta vs tors. theta energy: -180.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2054.081776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.081776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.081776 (E_RNA) where: Base-Base interactions energy: -1355.945 where: short stacking energy: -609.835 Base-Backbone interact. energy: -3.793 local terms energy: -694.343521 where: bonds (distance) C4'-P energy: -125.466 bonds (distance) P-C4' energy: -139.116 flat angles C4'-P-C4' energy: -160.553 flat angles P-C4'-P energy: -103.997 tors. eta vs tors. theta energy: -165.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1963.890884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.890884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.890884 (E_RNA) where: Base-Base interactions energy: -1328.902 where: short stacking energy: -595.065 Base-Backbone interact. energy: -2.919 local terms energy: -632.069904 where: bonds (distance) C4'-P energy: -121.150 bonds (distance) P-C4' energy: -135.113 flat angles C4'-P-C4' energy: -136.954 flat angles P-C4'-P energy: -91.790 tors. eta vs tors. theta energy: -147.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1685.558509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.558509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.558509 (E_RNA) where: Base-Base interactions energy: -1092.300 where: short stacking energy: -470.470 Base-Backbone interact. energy: 3.386 local terms energy: -596.644594 where: bonds (distance) C4'-P energy: -141.756 bonds (distance) P-C4' energy: -140.088 flat angles C4'-P-C4' energy: -127.632 flat angles P-C4'-P energy: -72.238 tors. eta vs tors. theta energy: -114.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1521.923280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.923280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.923280 (E_RNA) where: Base-Base interactions energy: -1015.361 where: short stacking energy: -452.974 Base-Backbone interact. energy: 3.363 local terms energy: -509.925544 where: bonds (distance) C4'-P energy: -102.304 bonds (distance) P-C4' energy: -125.763 flat angles C4'-P-C4' energy: -123.041 flat angles P-C4'-P energy: -71.173 tors. eta vs tors. theta energy: -87.645 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: 5 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1074.309173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.309173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.309173 (E_RNA) where: Base-Base interactions energy: -650.402 where: short stacking energy: -306.969 Base-Backbone interact. energy: 2.963 local terms energy: -426.869793 where: bonds (distance) C4'-P energy: -96.703 bonds (distance) P-C4' energy: -113.346 flat angles C4'-P-C4' energy: -116.726 flat angles P-C4'-P energy: -71.349 tors. eta vs tors. theta energy: -28.746 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: 9 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -827.127027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.127027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.127027 (E_RNA) where: Base-Base interactions energy: -442.862 where: short stacking energy: -226.560 Base-Backbone interact. energy: -1.046 local terms energy: -383.218172 where: bonds (distance) C4'-P energy: -102.137 bonds (distance) P-C4' energy: -123.363 flat angles C4'-P-C4' energy: -96.236 flat angles P-C4'-P energy: -59.462 tors. eta vs tors. theta energy: -2.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2626.722182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.722182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.722182 (E_RNA) where: Base-Base interactions energy: -1828.091 where: short stacking energy: -781.036 Base-Backbone interact. energy: -5.668 local terms energy: -792.962709 where: bonds (distance) C4'-P energy: -144.127 bonds (distance) P-C4' energy: -147.651 flat angles C4'-P-C4' energy: -165.590 flat angles P-C4'-P energy: -109.370 tors. eta vs tors. theta energy: -226.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2556.757167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.757167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.757167 (E_RNA) where: Base-Base interactions energy: -1758.058 where: short stacking energy: -753.309 Base-Backbone interact. energy: 0.661 local terms energy: -799.360943 where: bonds (distance) C4'-P energy: -144.015 bonds (distance) P-C4' energy: -154.245 flat angles C4'-P-C4' energy: -165.488 flat angles P-C4'-P energy: -118.609 tors. eta vs tors. theta energy: -217.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2282.491418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.491418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.491418 (E_RNA) where: Base-Base interactions energy: -1543.680 where: short stacking energy: -684.598 Base-Backbone interact. energy: 0.137 local terms energy: -738.948527 where: bonds (distance) C4'-P energy: -132.503 bonds (distance) P-C4' energy: -155.015 flat angles C4'-P-C4' energy: -155.955 flat angles P-C4'-P energy: -104.505 tors. eta vs tors. theta energy: -190.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2294.031444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.031444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.031444 (E_RNA) where: Base-Base interactions energy: -1545.589 where: short stacking energy: -626.539 Base-Backbone interact. energy: -2.132 local terms energy: -746.310406 where: bonds (distance) C4'-P energy: -147.730 bonds (distance) P-C4' energy: -143.380 flat angles C4'-P-C4' energy: -166.558 flat angles P-C4'-P energy: -110.418 tors. eta vs tors. theta energy: -178.224 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: 10 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2088.807344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.807344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.807344 (E_RNA) where: Base-Base interactions energy: -1389.814 where: short stacking energy: -616.021 Base-Backbone interact. energy: -3.196 local terms energy: -695.797527 where: bonds (distance) C4'-P energy: -148.584 bonds (distance) P-C4' energy: -129.679 flat angles C4'-P-C4' energy: -154.563 flat angles P-C4'-P energy: -95.995 tors. eta vs tors. theta energy: -166.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1986.694104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.694104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.694104 (E_RNA) where: Base-Base interactions energy: -1351.741 where: short stacking energy: -550.198 Base-Backbone interact. energy: -3.319 local terms energy: -631.634237 where: bonds (distance) C4'-P energy: -119.964 bonds (distance) P-C4' energy: -133.579 flat angles C4'-P-C4' energy: -139.405 flat angles P-C4'-P energy: -96.038 tors. eta vs tors. theta energy: -142.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1653.221339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.221339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.221339 (E_RNA) where: Base-Base interactions energy: -1100.188 where: short stacking energy: -488.725 Base-Backbone interact. energy: -1.632 local terms energy: -551.401085 where: bonds (distance) C4'-P energy: -122.849 bonds (distance) P-C4' energy: -113.713 flat angles C4'-P-C4' energy: -121.674 flat angles P-C4'-P energy: -89.458 tors. eta vs tors. theta energy: -103.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1485.527964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.527964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.527964 (E_RNA) where: Base-Base interactions energy: -945.933 where: short stacking energy: -458.971 Base-Backbone interact. energy: -1.591 local terms energy: -538.004240 where: bonds (distance) C4'-P energy: -133.850 bonds (distance) P-C4' energy: -116.508 flat angles C4'-P-C4' energy: -122.348 flat angles P-C4'-P energy: -57.849 tors. eta vs tors. theta energy: -107.450 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: 9, replica: 5 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1119.802987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.802987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.802987 (E_RNA) where: Base-Base interactions energy: -679.718 where: short stacking energy: -301.183 Base-Backbone interact. energy: -0.912 local terms energy: -439.172570 where: bonds (distance) C4'-P energy: -110.343 bonds (distance) P-C4' energy: -126.740 flat angles C4'-P-C4' energy: -111.452 flat angles P-C4'-P energy: -68.275 tors. eta vs tors. theta energy: -22.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -777.688127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.688127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.688127 (E_RNA) where: Base-Base interactions energy: -386.612 where: short stacking energy: -231.737 Base-Backbone interact. energy: 1.678 local terms energy: -392.753910 where: bonds (distance) C4'-P energy: -134.922 bonds (distance) P-C4' energy: -111.426 flat angles C4'-P-C4' energy: -101.977 flat angles P-C4'-P energy: -56.818 tors. eta vs tors. theta energy: 12.389 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: 4 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2642.584444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.584444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.584444 (E_RNA) where: Base-Base interactions energy: -1826.785 where: short stacking energy: -772.559 Base-Backbone interact. energy: -3.035 local terms energy: -812.764853 where: bonds (distance) C4'-P energy: -145.388 bonds (distance) P-C4' energy: -143.771 flat angles C4'-P-C4' energy: -185.250 flat angles P-C4'-P energy: -111.025 tors. eta vs tors. theta energy: -227.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2557.080030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.080030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.080030 (E_RNA) where: Base-Base interactions energy: -1749.948 where: short stacking energy: -757.590 Base-Backbone interact. energy: -0.647 local terms energy: -806.484788 where: bonds (distance) C4'-P energy: -151.699 bonds (distance) P-C4' energy: -156.110 flat angles C4'-P-C4' energy: -159.528 flat angles P-C4'-P energy: -118.697 tors. eta vs tors. theta energy: -220.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2307.745498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.745498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.745498 (E_RNA) where: Base-Base interactions energy: -1593.187 where: short stacking energy: -668.582 Base-Backbone interact. energy: -0.563 local terms energy: -713.995555 where: bonds (distance) C4'-P energy: -141.026 bonds (distance) P-C4' energy: -134.111 flat angles C4'-P-C4' energy: -158.627 flat angles P-C4'-P energy: -95.875 tors. eta vs tors. theta energy: -184.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2273.887332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.887332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.887332 (E_RNA) where: Base-Base interactions energy: -1526.894 where: short stacking energy: -648.454 Base-Backbone interact. energy: 1.862 local terms energy: -748.855914 where: bonds (distance) C4'-P energy: -127.183 bonds (distance) P-C4' energy: -139.776 flat angles C4'-P-C4' energy: -169.269 flat angles P-C4'-P energy: -119.558 tors. eta vs tors. theta energy: -193.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2103.753291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.753291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.753291 (E_RNA) where: Base-Base interactions energy: -1437.115 where: short stacking energy: -614.090 Base-Backbone interact. energy: -3.167 local terms energy: -663.471139 where: bonds (distance) C4'-P energy: -128.501 bonds (distance) P-C4' energy: -125.354 flat angles C4'-P-C4' energy: -148.101 flat angles P-C4'-P energy: -83.947 tors. eta vs tors. theta energy: -177.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1980.873938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.873938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.873938 (E_RNA) where: Base-Base interactions energy: -1354.801 where: short stacking energy: -593.329 Base-Backbone interact. energy: -0.595 local terms energy: -625.477358 where: bonds (distance) C4'-P energy: -118.036 bonds (distance) P-C4' energy: -127.009 flat angles C4'-P-C4' energy: -145.048 flat angles P-C4'-P energy: -86.091 tors. eta vs tors. theta energy: -149.294 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: 2 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1639.203600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.203600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.203600 (E_RNA) where: Base-Base interactions energy: -1076.780 where: short stacking energy: -476.386 Base-Backbone interact. energy: 1.093 local terms energy: -563.516947 where: bonds (distance) C4'-P energy: -111.976 bonds (distance) P-C4' energy: -117.097 flat angles C4'-P-C4' energy: -150.096 flat angles P-C4'-P energy: -82.890 tors. eta vs tors. theta energy: -101.458 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: 8, replica: 6 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1481.893926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.893926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.893926 (E_RNA) where: Base-Base interactions energy: -959.804 where: short stacking energy: -423.776 Base-Backbone interact. energy: -1.211 local terms energy: -520.879203 where: bonds (distance) C4'-P energy: -120.862 bonds (distance) P-C4' energy: -126.809 flat angles C4'-P-C4' energy: -115.435 flat angles P-C4'-P energy: -84.277 tors. eta vs tors. theta energy: -73.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1089.745650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.745650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.745650 (E_RNA) where: Base-Base interactions energy: -603.972 where: short stacking energy: -301.845 Base-Backbone interact. energy: -2.952 local terms energy: -482.822137 where: bonds (distance) C4'-P energy: -118.419 bonds (distance) P-C4' energy: -146.338 flat angles C4'-P-C4' energy: -123.728 flat angles P-C4'-P energy: -73.489 tors. eta vs tors. theta energy: -20.848 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: 9 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -817.974682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.974682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.974682 (E_RNA) where: Base-Base interactions energy: -393.122 where: short stacking energy: -238.709 Base-Backbone interact. energy: -4.750 local terms energy: -420.102545 where: bonds (distance) C4'-P energy: -130.203 bonds (distance) P-C4' energy: -120.290 flat angles C4'-P-C4' energy: -101.650 flat angles P-C4'-P energy: -64.986 tors. eta vs tors. theta energy: -2.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2619.291823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.291823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.291823 (E_RNA) where: Base-Base interactions energy: -1809.209 where: short stacking energy: -771.461 Base-Backbone interact. energy: -1.054 local terms energy: -809.029174 where: bonds (distance) C4'-P energy: -153.997 bonds (distance) P-C4' energy: -144.975 flat angles C4'-P-C4' energy: -168.114 flat angles P-C4'-P energy: -120.491 tors. eta vs tors. theta energy: -221.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2526.411517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.411517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.411517 (E_RNA) where: Base-Base interactions energy: -1749.569 where: short stacking energy: -772.744 Base-Backbone interact. energy: -2.116 local terms energy: -774.725772 where: bonds (distance) C4'-P energy: -132.178 bonds (distance) P-C4' energy: -131.706 flat angles C4'-P-C4' energy: -178.198 flat angles P-C4'-P energy: -113.557 tors. eta vs tors. theta energy: -219.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2365.707543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.707543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.707543 (E_RNA) where: Base-Base interactions energy: -1664.224 where: short stacking energy: -682.003 Base-Backbone interact. energy: -0.396 local terms energy: -701.088139 where: bonds (distance) C4'-P energy: -127.480 bonds (distance) P-C4' energy: -137.172 flat angles C4'-P-C4' energy: -145.099 flat angles P-C4'-P energy: -101.100 tors. eta vs tors. theta energy: -190.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2312.452505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.452505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.452505 (E_RNA) where: Base-Base interactions energy: -1606.893 where: short stacking energy: -678.108 Base-Backbone interact. energy: -7.735 local terms energy: -697.824588 where: bonds (distance) C4'-P energy: -145.988 bonds (distance) P-C4' energy: -139.743 flat angles C4'-P-C4' energy: -144.298 flat angles P-C4'-P energy: -88.542 tors. eta vs tors. theta energy: -179.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2071.324767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.324767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.324767 (E_RNA) where: Base-Base interactions energy: -1400.561 where: short stacking energy: -591.071 Base-Backbone interact. energy: 0.266 local terms energy: -671.029489 where: bonds (distance) C4'-P energy: -129.742 bonds (distance) P-C4' energy: -139.933 flat angles C4'-P-C4' energy: -152.323 flat angles P-C4'-P energy: -97.991 tors. eta vs tors. theta energy: -151.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1922.080589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.080589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.080589 (E_RNA) where: Base-Base interactions energy: -1283.931 where: short stacking energy: -554.911 Base-Backbone interact. energy: -2.681 local terms energy: -635.468959 where: bonds (distance) C4'-P energy: -123.816 bonds (distance) P-C4' energy: -142.292 flat angles C4'-P-C4' energy: -135.800 flat angles P-C4'-P energy: -82.848 tors. eta vs tors. theta energy: -150.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1591.552721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.552721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.552721 (E_RNA) where: Base-Base interactions energy: -1021.138 where: short stacking energy: -471.552 Base-Backbone interact. energy: -2.305 local terms energy: -568.109770 where: bonds (distance) C4'-P energy: -122.226 bonds (distance) P-C4' energy: -132.966 flat angles C4'-P-C4' energy: -140.289 flat angles P-C4'-P energy: -76.009 tors. eta vs tors. theta energy: -96.620 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: 6 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1493.354915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.354915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.354915 (E_RNA) where: Base-Base interactions energy: -969.711 where: short stacking energy: -445.374 Base-Backbone interact. energy: -1.907 local terms energy: -521.736991 where: bonds (distance) C4'-P energy: -132.556 bonds (distance) P-C4' energy: -100.566 flat angles C4'-P-C4' energy: -117.209 flat angles P-C4'-P energy: -77.336 tors. eta vs tors. theta energy: -94.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1162.380641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.380641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.380641 (E_RNA) where: Base-Base interactions energy: -684.047 where: short stacking energy: -330.208 Base-Backbone interact. energy: -2.886 local terms energy: -475.447976 where: bonds (distance) C4'-P energy: -126.906 bonds (distance) P-C4' energy: -125.622 flat angles C4'-P-C4' energy: -128.352 flat angles P-C4'-P energy: -65.148 tors. eta vs tors. theta energy: -29.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -685.627981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.627981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.627981 (E_RNA) where: Base-Base interactions energy: -280.012 where: short stacking energy: -210.616 Base-Backbone interact. energy: -1.001 local terms energy: -404.615183 where: bonds (distance) C4'-P energy: -113.988 bonds (distance) P-C4' energy: -140.613 flat angles C4'-P-C4' energy: -95.116 flat angles P-C4'-P energy: -56.869 tors. eta vs tors. theta energy: 1.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2619.293517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.293517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.293517 (E_RNA) where: Base-Base interactions energy: -1808.878 where: short stacking energy: -781.744 Base-Backbone interact. energy: -3.992 local terms energy: -806.423233 where: bonds (distance) C4'-P energy: -154.007 bonds (distance) P-C4' energy: -153.095 flat angles C4'-P-C4' energy: -170.547 flat angles P-C4'-P energy: -108.917 tors. eta vs tors. theta energy: -219.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2526.710142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.710142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.710142 (E_RNA) where: Base-Base interactions energy: -1760.582 where: short stacking energy: -780.089 Base-Backbone interact. energy: -0.644 local terms energy: -765.484346 where: bonds (distance) C4'-P energy: -126.764 bonds (distance) P-C4' energy: -139.556 flat angles C4'-P-C4' energy: -160.414 flat angles P-C4'-P energy: -119.054 tors. eta vs tors. theta energy: -219.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2411.649315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.649315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.649315 (E_RNA) where: Base-Base interactions energy: -1674.615 where: short stacking energy: -705.679 Base-Backbone interact. energy: 0.114 local terms energy: -737.147431 where: bonds (distance) C4'-P energy: -135.216 bonds (distance) P-C4' energy: -134.594 flat angles C4'-P-C4' energy: -163.122 flat angles P-C4'-P energy: -105.077 tors. eta vs tors. theta energy: -199.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2261.481038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.481038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.481038 (E_RNA) where: Base-Base interactions energy: -1571.472 where: short stacking energy: -660.816 Base-Backbone interact. energy: 0.297 local terms energy: -690.305853 where: bonds (distance) C4'-P energy: -135.980 bonds (distance) P-C4' energy: -128.418 flat angles C4'-P-C4' energy: -150.928 flat angles P-C4'-P energy: -95.228 tors. eta vs tors. theta energy: -179.752 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: 5, replica: 10 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2116.191405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.191405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.191405 (E_RNA) where: Base-Base interactions energy: -1464.884 where: short stacking energy: -632.278 Base-Backbone interact. energy: -2.270 local terms energy: -649.037784 where: bonds (distance) C4'-P energy: -130.857 bonds (distance) P-C4' energy: -122.409 flat angles C4'-P-C4' energy: -142.239 flat angles P-C4'-P energy: -92.979 tors. eta vs tors. theta energy: -160.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1953.488483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.488483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.488483 (E_RNA) where: Base-Base interactions energy: -1307.290 where: short stacking energy: -564.966 Base-Backbone interact. energy: -2.048 local terms energy: -644.150813 where: bonds (distance) C4'-P energy: -118.433 bonds (distance) P-C4' energy: -125.939 flat angles C4'-P-C4' energy: -133.949 flat angles P-C4'-P energy: -100.944 tors. eta vs tors. theta energy: -164.886 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: 2 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1634.052663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.052663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.052663 (E_RNA) where: Base-Base interactions energy: -1043.302 where: short stacking energy: -485.777 Base-Backbone interact. energy: -0.845 local terms energy: -589.905530 where: bonds (distance) C4'-P energy: -114.500 bonds (distance) P-C4' energy: -152.624 flat angles C4'-P-C4' energy: -123.868 flat angles P-C4'-P energy: -84.372 tors. eta vs tors. theta energy: -114.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1467.181486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.181486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.181486 (E_RNA) where: Base-Base interactions energy: -939.194 where: short stacking energy: -421.167 Base-Backbone interact. energy: 1.079 local terms energy: -529.066008 where: bonds (distance) C4'-P energy: -102.229 bonds (distance) P-C4' energy: -126.569 flat angles C4'-P-C4' energy: -131.651 flat angles P-C4'-P energy: -84.314 tors. eta vs tors. theta energy: -84.303 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: 5 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1141.763909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.763909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.763909 (E_RNA) where: Base-Base interactions energy: -680.213 where: short stacking energy: -307.553 Base-Backbone interact. energy: -2.472 local terms energy: -459.079076 where: bonds (distance) C4'-P energy: -124.081 bonds (distance) P-C4' energy: -116.803 flat angles C4'-P-C4' energy: -128.491 flat angles P-C4'-P energy: -60.503 tors. eta vs tors. theta energy: -29.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -748.141949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.141949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.141949 (E_RNA) where: Base-Base interactions energy: -341.705 where: short stacking energy: -219.497 Base-Backbone interact. energy: 1.014 local terms energy: -407.450928 where: bonds (distance) C4'-P energy: -111.250 bonds (distance) P-C4' energy: -130.008 flat angles C4'-P-C4' energy: -92.511 flat angles P-C4'-P energy: -73.842 tors. eta vs tors. theta energy: 0.159 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: 4 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2613.101187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.101187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.101187 (E_RNA) where: Base-Base interactions energy: -1800.822 where: short stacking energy: -772.423 Base-Backbone interact. energy: -6.245 local terms energy: -806.033382 where: bonds (distance) C4'-P energy: -148.242 bonds (distance) P-C4' energy: -159.631 flat angles C4'-P-C4' energy: -172.471 flat angles P-C4'-P energy: -102.299 tors. eta vs tors. theta energy: -223.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2483.193583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.193583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.193583 (E_RNA) where: Base-Base interactions energy: -1694.956 where: short stacking energy: -720.775 Base-Backbone interact. energy: -1.017 local terms energy: -787.220142 where: bonds (distance) C4'-P energy: -149.882 bonds (distance) P-C4' energy: -145.902 flat angles C4'-P-C4' energy: -170.635 flat angles P-C4'-P energy: -104.100 tors. eta vs tors. theta energy: -216.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2383.077886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.077886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.077886 (E_RNA) where: Base-Base interactions energy: -1640.147 where: short stacking energy: -676.801 Base-Backbone interact. energy: -5.891 local terms energy: -737.039852 where: bonds (distance) C4'-P energy: -129.203 bonds (distance) P-C4' energy: -147.807 flat angles C4'-P-C4' energy: -162.729 flat angles P-C4'-P energy: -96.363 tors. eta vs tors. theta energy: -200.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2298.296482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.296482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.296482 (E_RNA) where: Base-Base interactions energy: -1588.329 where: short stacking energy: -698.972 Base-Backbone interact. energy: -1.511 local terms energy: -708.456786 where: bonds (distance) C4'-P energy: -136.399 bonds (distance) P-C4' energy: -133.840 flat angles C4'-P-C4' energy: -140.476 flat angles P-C4'-P energy: -101.166 tors. eta vs tors. theta energy: -196.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2103.235711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.235711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.235711 (E_RNA) where: Base-Base interactions energy: -1426.638 where: short stacking energy: -630.065 Base-Backbone interact. energy: -1.124 local terms energy: -675.474028 where: bonds (distance) C4'-P energy: -123.728 bonds (distance) P-C4' energy: -139.172 flat angles C4'-P-C4' energy: -148.612 flat angles P-C4'-P energy: -88.958 tors. eta vs tors. theta energy: -175.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1962.347862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.347862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.347862 (E_RNA) where: Base-Base interactions energy: -1341.929 where: short stacking energy: -574.774 Base-Backbone interact. energy: -1.966 local terms energy: -618.452695 where: bonds (distance) C4'-P energy: -116.897 bonds (distance) P-C4' energy: -123.772 flat angles C4'-P-C4' energy: -124.711 flat angles P-C4'-P energy: -83.103 tors. eta vs tors. theta energy: -169.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1579.394954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.394954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.394954 (E_RNA) where: Base-Base interactions energy: -1036.088 where: short stacking energy: -479.245 Base-Backbone interact. energy: -2.925 local terms energy: -540.381923 where: bonds (distance) C4'-P energy: -111.398 bonds (distance) P-C4' energy: -120.500 flat angles C4'-P-C4' energy: -134.472 flat angles P-C4'-P energy: -74.901 tors. eta vs tors. theta energy: -99.111 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: 276 Temperature: 1.250000 Total energy: -1471.260748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.260748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.260748 (E_RNA) where: Base-Base interactions energy: -933.618 where: short stacking energy: -425.449 Base-Backbone interact. energy: 4.280 local terms energy: -541.923703 where: bonds (distance) C4'-P energy: -106.712 bonds (distance) P-C4' energy: -135.466 flat angles C4'-P-C4' energy: -130.103 flat angles P-C4'-P energy: -89.905 tors. eta vs tors. theta energy: -79.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1221.983325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.983325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.983325 (E_RNA) where: Base-Base interactions energy: -751.574 where: short stacking energy: -320.140 Base-Backbone interact. energy: -3.293 local terms energy: -467.116307 where: bonds (distance) C4'-P energy: -110.151 bonds (distance) P-C4' energy: -124.405 flat angles C4'-P-C4' energy: -116.302 flat angles P-C4'-P energy: -63.693 tors. eta vs tors. theta energy: -52.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -833.781331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.781331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.781331 (E_RNA) where: Base-Base interactions energy: -431.298 where: short stacking energy: -230.072 Base-Backbone interact. energy: 2.886 local terms energy: -405.368697 where: bonds (distance) C4'-P energy: -110.552 bonds (distance) P-C4' energy: -110.558 flat angles C4'-P-C4' energy: -100.857 flat angles P-C4'-P energy: -70.477 tors. eta vs tors. theta energy: -12.925 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: 4 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2616.724076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.724076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.724076 (E_RNA) where: Base-Base interactions energy: -1819.825 where: short stacking energy: -776.209 Base-Backbone interact. energy: -3.959 local terms energy: -792.940218 where: bonds (distance) C4'-P energy: -141.573 bonds (distance) P-C4' energy: -143.573 flat angles C4'-P-C4' energy: -168.930 flat angles P-C4'-P energy: -120.242 tors. eta vs tors. theta energy: -218.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2558.546974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.546974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.546974 (E_RNA) where: Base-Base interactions energy: -1778.773 where: short stacking energy: -777.130 Base-Backbone interact. energy: 0.017 local terms energy: -779.791407 where: bonds (distance) C4'-P energy: -142.428 bonds (distance) P-C4' energy: -144.215 flat angles C4'-P-C4' energy: -162.932 flat angles P-C4'-P energy: -104.937 tors. eta vs tors. theta energy: -225.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2402.874735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.874735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.874735 (E_RNA) where: Base-Base interactions energy: -1698.337 where: short stacking energy: -692.676 Base-Backbone interact. energy: -3.137 local terms energy: -701.401364 where: bonds (distance) C4'-P energy: -129.295 bonds (distance) P-C4' energy: -131.981 flat angles C4'-P-C4' energy: -155.020 flat angles P-C4'-P energy: -95.306 tors. eta vs tors. theta energy: -189.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2308.154944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.154944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.154944 (E_RNA) where: Base-Base interactions energy: -1587.791 where: short stacking energy: -675.907 Base-Backbone interact. energy: 0.770 local terms energy: -721.133273 where: bonds (distance) C4'-P energy: -124.053 bonds (distance) P-C4' energy: -142.455 flat angles C4'-P-C4' energy: -148.544 flat angles P-C4'-P energy: -108.339 tors. eta vs tors. theta energy: -197.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2049.868304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.868304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.868304 (E_RNA) where: Base-Base interactions energy: -1365.589 where: short stacking energy: -604.137 Base-Backbone interact. energy: -2.274 local terms energy: -682.004680 where: bonds (distance) C4'-P energy: -120.398 bonds (distance) P-C4' energy: -145.566 flat angles C4'-P-C4' energy: -156.814 flat angles P-C4'-P energy: -100.470 tors. eta vs tors. theta energy: -158.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1941.918502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.918502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.918502 (E_RNA) where: Base-Base interactions energy: -1305.214 where: short stacking energy: -576.298 Base-Backbone interact. energy: 0.840 local terms energy: -637.544522 where: bonds (distance) C4'-P energy: -97.122 bonds (distance) P-C4' energy: -142.279 flat angles C4'-P-C4' energy: -132.624 flat angles P-C4'-P energy: -96.511 tors. eta vs tors. theta energy: -169.008 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: 2 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1631.708536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.708536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.708536 (E_RNA) where: Base-Base interactions energy: -1076.654 where: short stacking energy: -495.321 Base-Backbone interact. energy: 0.248 local terms energy: -555.302649 where: bonds (distance) C4'-P energy: -116.781 bonds (distance) P-C4' energy: -113.344 flat angles C4'-P-C4' energy: -147.467 flat angles P-C4'-P energy: -77.000 tors. eta vs tors. theta energy: -100.710 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: 6 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1487.733775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.733775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.733775 (E_RNA) where: Base-Base interactions energy: -940.738 where: short stacking energy: -431.679 Base-Backbone interact. energy: 0.518 local terms energy: -547.513435 where: bonds (distance) C4'-P energy: -125.607 bonds (distance) P-C4' energy: -131.069 flat angles C4'-P-C4' energy: -127.684 flat angles P-C4'-P energy: -77.732 tors. eta vs tors. theta energy: -85.422 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: 5 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1233.586103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.586103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.586103 (E_RNA) where: Base-Base interactions energy: -770.256 where: short stacking energy: -343.798 Base-Backbone interact. energy: -0.251 local terms energy: -463.078560 where: bonds (distance) C4'-P energy: -116.634 bonds (distance) P-C4' energy: -130.037 flat angles C4'-P-C4' energy: -110.807 flat angles P-C4'-P energy: -66.969 tors. eta vs tors. theta energy: -38.632 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: 10, replica: 9 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -748.264178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.264178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.264178 (E_RNA) where: Base-Base interactions energy: -378.578 where: short stacking energy: -219.384 Base-Backbone interact. energy: 4.926 local terms energy: -374.612484 where: bonds (distance) C4'-P energy: -122.318 bonds (distance) P-C4' energy: -127.151 flat angles C4'-P-C4' energy: -92.918 flat angles P-C4'-P energy: -51.380 tors. eta vs tors. theta energy: 19.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2650.376602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.376602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.376602 (E_RNA) where: Base-Base interactions energy: -1818.852 where: short stacking energy: -773.442 Base-Backbone interact. energy: -2.450 local terms energy: -829.074524 where: bonds (distance) C4'-P energy: -168.757 bonds (distance) P-C4' energy: -153.988 flat angles C4'-P-C4' energy: -169.297 flat angles P-C4'-P energy: -115.585 tors. eta vs tors. theta energy: -221.448 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: 8 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2532.110113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.110113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.110113 (E_RNA) where: Base-Base interactions energy: -1766.939 where: short stacking energy: -781.096 Base-Backbone interact. energy: -2.096 local terms energy: -763.074803 where: bonds (distance) C4'-P energy: -138.231 bonds (distance) P-C4' energy: -139.885 flat angles C4'-P-C4' energy: -158.336 flat angles P-C4'-P energy: -103.142 tors. eta vs tors. theta energy: -223.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2388.791307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.791307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.791307 (E_RNA) where: Base-Base interactions energy: -1685.931 where: short stacking energy: -690.858 Base-Backbone interact. energy: 2.315 local terms energy: -705.175580 where: bonds (distance) C4'-P energy: -115.757 bonds (distance) P-C4' energy: -134.122 flat angles C4'-P-C4' energy: -159.592 flat angles P-C4'-P energy: -109.252 tors. eta vs tors. theta energy: -186.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2270.299788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.299788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.299788 (E_RNA) where: Base-Base interactions energy: -1555.615 where: short stacking energy: -662.955 Base-Backbone interact. energy: 0.395 local terms energy: -715.079065 where: bonds (distance) C4'-P energy: -131.800 bonds (distance) P-C4' energy: -132.370 flat angles C4'-P-C4' energy: -167.614 flat angles P-C4'-P energy: -97.969 tors. eta vs tors. theta energy: -185.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2082.625998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.625998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.625998 (E_RNA) where: Base-Base interactions energy: -1375.621 where: short stacking energy: -595.384 Base-Backbone interact. energy: -0.516 local terms energy: -706.489515 where: bonds (distance) C4'-P energy: -130.359 bonds (distance) P-C4' energy: -146.406 flat angles C4'-P-C4' energy: -169.972 flat angles P-C4'-P energy: -101.060 tors. eta vs tors. theta energy: -158.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1902.312715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.312715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.312715 (E_RNA) where: Base-Base interactions energy: -1263.363 where: short stacking energy: -554.728 Base-Backbone interact. energy: -5.119 local terms energy: -633.830387 where: bonds (distance) C4'-P energy: -108.424 bonds (distance) P-C4' energy: -133.513 flat angles C4'-P-C4' energy: -139.639 flat angles P-C4'-P energy: -103.450 tors. eta vs tors. theta energy: -148.805 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: 2 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1667.106219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.106219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.106219 (E_RNA) where: Base-Base interactions energy: -1045.860 where: short stacking energy: -500.210 Base-Backbone interact. energy: 0.339 local terms energy: -621.585042 where: bonds (distance) C4'-P energy: -133.567 bonds (distance) P-C4' energy: -144.904 flat angles C4'-P-C4' energy: -142.223 flat angles P-C4'-P energy: -77.126 tors. eta vs tors. theta energy: -123.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1475.727664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.727664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.727664 (E_RNA) where: Base-Base interactions energy: -962.443 where: short stacking energy: -427.665 Base-Backbone interact. energy: 2.714 local terms energy: -515.998507 where: bonds (distance) C4'-P energy: -110.586 bonds (distance) P-C4' energy: -139.046 flat angles C4'-P-C4' energy: -112.808 flat angles P-C4'-P energy: -78.397 tors. eta vs tors. theta energy: -75.161 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: 5 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1183.506253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.506253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.506253 (E_RNA) where: Base-Base interactions energy: -702.179 where: short stacking energy: -316.836 Base-Backbone interact. energy: 0.986 local terms energy: -482.313751 where: bonds (distance) C4'-P energy: -106.116 bonds (distance) P-C4' energy: -136.205 flat angles C4'-P-C4' energy: -126.361 flat angles P-C4'-P energy: -81.347 tors. eta vs tors. theta energy: -32.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -744.549868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.549868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.549868 (E_RNA) where: Base-Base interactions energy: -370.635 where: short stacking energy: -236.248 Base-Backbone interact. energy: 0.939 local terms energy: -374.853218 where: bonds (distance) C4'-P energy: -103.215 bonds (distance) P-C4' energy: -124.915 flat angles C4'-P-C4' energy: -71.939 flat angles P-C4'-P energy: -69.204 tors. eta vs tors. theta energy: -5.580 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: 4 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2640.442458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.442458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.442458 (E_RNA) where: Base-Base interactions energy: -1826.288 where: short stacking energy: -767.093 Base-Backbone interact. energy: -9.896 local terms energy: -804.258401 where: bonds (distance) C4'-P energy: -150.335 bonds (distance) P-C4' energy: -149.330 flat angles C4'-P-C4' energy: -175.764 flat angles P-C4'-P energy: -104.759 tors. eta vs tors. theta energy: -224.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2510.117023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.117023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.117023 (E_RNA) where: Base-Base interactions energy: -1740.149 where: short stacking energy: -757.865 Base-Backbone interact. energy: -2.144 local terms energy: -767.823301 where: bonds (distance) C4'-P energy: -130.578 bonds (distance) P-C4' energy: -149.030 flat angles C4'-P-C4' energy: -165.679 flat angles P-C4'-P energy: -105.986 tors. eta vs tors. theta energy: -216.551 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: 3, replica: 1 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2443.037852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.037852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.037852 (E_RNA) where: Base-Base interactions energy: -1732.619 where: short stacking energy: -690.413 Base-Backbone interact. energy: 1.408 local terms energy: -711.826593 where: bonds (distance) C4'-P energy: -133.761 bonds (distance) P-C4' energy: -145.209 flat angles C4'-P-C4' energy: -157.819 flat angles P-C4'-P energy: -82.802 tors. eta vs tors. theta energy: -192.235 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: 7 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2264.885132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.885132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.885132 (E_RNA) where: Base-Base interactions energy: -1551.973 where: short stacking energy: -680.602 Base-Backbone interact. energy: -1.962 local terms energy: -710.949261 where: bonds (distance) C4'-P energy: -125.187 bonds (distance) P-C4' energy: -137.426 flat angles C4'-P-C4' energy: -151.751 flat angles P-C4'-P energy: -109.266 tors. eta vs tors. theta energy: -187.318 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: 10 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2083.069340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.069340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.069340 (E_RNA) where: Base-Base interactions energy: -1388.872 where: short stacking energy: -615.360 Base-Backbone interact. energy: -1.505 local terms energy: -692.693233 where: bonds (distance) C4'-P energy: -131.147 bonds (distance) P-C4' energy: -149.584 flat angles C4'-P-C4' energy: -147.675 flat angles P-C4'-P energy: -95.162 tors. eta vs tors. theta energy: -169.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1896.096657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.096657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.096657 (E_RNA) where: Base-Base interactions energy: -1256.098 where: short stacking energy: -551.193 Base-Backbone interact. energy: 0.575 local terms energy: -640.573294 where: bonds (distance) C4'-P energy: -130.145 bonds (distance) P-C4' energy: -122.543 flat angles C4'-P-C4' energy: -145.785 flat angles P-C4'-P energy: -83.730 tors. eta vs tors. theta energy: -158.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1659.604451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.604451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.604451 (E_RNA) where: Base-Base interactions energy: -1054.714 where: short stacking energy: -509.624 Base-Backbone interact. energy: 1.591 local terms energy: -606.480618 where: bonds (distance) C4'-P energy: -129.178 bonds (distance) P-C4' energy: -141.987 flat angles C4'-P-C4' energy: -132.747 flat angles P-C4'-P energy: -72.976 tors. eta vs tors. theta energy: -129.592 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: 6 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1545.124266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.124266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.124266 (E_RNA) where: Base-Base interactions energy: -1019.151 where: short stacking energy: -456.383 Base-Backbone interact. energy: -0.876 local terms energy: -525.097827 where: bonds (distance) C4'-P energy: -109.805 bonds (distance) P-C4' energy: -122.724 flat angles C4'-P-C4' energy: -130.461 flat angles P-C4'-P energy: -71.127 tors. eta vs tors. theta energy: -90.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1109.922691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.922691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.922691 (E_RNA) where: Base-Base interactions energy: -630.780 where: short stacking energy: -340.039 Base-Backbone interact. energy: -1.481 local terms energy: -477.661196 where: bonds (distance) C4'-P energy: -98.828 bonds (distance) P-C4' energy: -114.678 flat angles C4'-P-C4' energy: -117.246 flat angles P-C4'-P energy: -79.956 tors. eta vs tors. theta energy: -66.953 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: 10, replica: 9 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -695.809949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.809949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.809949 (E_RNA) where: Base-Base interactions energy: -314.179 where: short stacking energy: -214.776 Base-Backbone interact. energy: 3.039 local terms energy: -384.670503 where: bonds (distance) C4'-P energy: -138.516 bonds (distance) P-C4' energy: -124.318 flat angles C4'-P-C4' energy: -97.871 flat angles P-C4'-P energy: -41.811 tors. eta vs tors. theta energy: 17.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2617.609627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.609627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.609627 (E_RNA) where: Base-Base interactions energy: -1802.915 where: short stacking energy: -758.240 Base-Backbone interact. energy: -4.887 local terms energy: -809.808394 where: bonds (distance) C4'-P energy: -144.722 bonds (distance) P-C4' energy: -153.102 flat angles C4'-P-C4' energy: -171.574 flat angles P-C4'-P energy: -108.015 tors. eta vs tors. theta energy: -232.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2492.895519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.895519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.895519 (E_RNA) where: Base-Base interactions energy: -1692.745 where: short stacking energy: -762.618 Base-Backbone interact. energy: 2.878 local terms energy: -803.028617 where: bonds (distance) C4'-P energy: -148.945 bonds (distance) P-C4' energy: -151.589 flat angles C4'-P-C4' energy: -168.899 flat angles P-C4'-P energy: -108.141 tors. eta vs tors. theta energy: -225.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2466.741787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.741787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.741787 (E_RNA) where: Base-Base interactions energy: -1704.893 where: short stacking energy: -708.859 Base-Backbone interact. energy: -1.702 local terms energy: -760.146753 where: bonds (distance) C4'-P energy: -127.267 bonds (distance) P-C4' energy: -151.853 flat angles C4'-P-C4' energy: -168.036 flat angles P-C4'-P energy: -111.848 tors. eta vs tors. theta energy: -201.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2274.528559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.528559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.528559 (E_RNA) where: Base-Base interactions energy: -1553.421 where: short stacking energy: -695.675 Base-Backbone interact. energy: -5.029 local terms energy: -716.078479 where: bonds (distance) C4'-P energy: -132.148 bonds (distance) P-C4' energy: -135.242 flat angles C4'-P-C4' energy: -157.226 flat angles P-C4'-P energy: -91.338 tors. eta vs tors. theta energy: -200.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2096.996751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.996751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.996751 (E_RNA) where: Base-Base interactions energy: -1373.942 where: short stacking energy: -603.309 Base-Backbone interact. energy: -2.570 local terms energy: -720.484544 where: bonds (distance) C4'-P energy: -139.373 bonds (distance) P-C4' energy: -139.615 flat angles C4'-P-C4' energy: -165.455 flat angles P-C4'-P energy: -106.449 tors. eta vs tors. theta energy: -169.593 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: 3 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1939.293939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.293939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.293939 (E_RNA) where: Base-Base interactions energy: -1319.018 where: short stacking energy: -542.810 Base-Backbone interact. energy: 0.001 local terms energy: -620.277151 where: bonds (distance) C4'-P energy: -125.704 bonds (distance) P-C4' energy: -142.512 flat angles C4'-P-C4' energy: -123.567 flat angles P-C4'-P energy: -81.808 tors. eta vs tors. theta energy: -146.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1665.133293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.133293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.133293 (E_RNA) where: Base-Base interactions energy: -1064.817 where: short stacking energy: -516.385 Base-Backbone interact. energy: -4.594 local terms energy: -595.722280 where: bonds (distance) C4'-P energy: -143.111 bonds (distance) P-C4' energy: -125.519 flat angles C4'-P-C4' energy: -124.630 flat angles P-C4'-P energy: -87.435 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: 8, replica: 6 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1515.070296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.070296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.070296 (E_RNA) where: Base-Base interactions energy: -980.405 where: short stacking energy: -435.581 Base-Backbone interact. energy: -2.718 local terms energy: -531.947283 where: bonds (distance) C4'-P energy: -103.420 bonds (distance) P-C4' energy: -128.457 flat angles C4'-P-C4' energy: -131.875 flat angles P-C4'-P energy: -83.228 tors. eta vs tors. theta energy: -84.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1082.355895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.355895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.355895 (E_RNA) where: Base-Base interactions energy: -605.736 where: short stacking energy: -294.463 Base-Backbone interact. energy: -0.069 local terms energy: -476.550215 where: bonds (distance) C4'-P energy: -128.388 bonds (distance) P-C4' energy: -125.902 flat angles C4'-P-C4' energy: -107.237 flat angles P-C4'-P energy: -82.018 tors. eta vs tors. theta energy: -33.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -681.570904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.570904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.570904 (E_RNA) where: Base-Base interactions energy: -286.495 where: short stacking energy: -189.409 Base-Backbone interact. energy: -2.122 local terms energy: -392.954333 where: bonds (distance) C4'-P energy: -122.180 bonds (distance) P-C4' energy: -125.081 flat angles C4'-P-C4' energy: -101.589 flat angles P-C4'-P energy: -55.371 tors. eta vs tors. theta energy: 11.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2616.343287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.343287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.343287 (E_RNA) where: Base-Base interactions energy: -1799.310 where: short stacking energy: -761.928 Base-Backbone interact. energy: -3.633 local terms energy: -813.399578 where: bonds (distance) C4'-P energy: -143.291 bonds (distance) P-C4' energy: -155.156 flat angles C4'-P-C4' energy: -167.286 flat angles P-C4'-P energy: -121.689 tors. eta vs tors. theta energy: -225.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2506.679392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.679392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.679392 (E_RNA) where: Base-Base interactions energy: -1709.492 where: short stacking energy: -773.273 Base-Backbone interact. energy: -1.307 local terms energy: -795.880112 where: bonds (distance) C4'-P energy: -127.602 bonds (distance) P-C4' energy: -152.787 flat angles C4'-P-C4' energy: -177.883 flat angles P-C4'-P energy: -106.292 tors. eta vs tors. theta energy: -231.317 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: 1 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2412.531245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.531245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.531245 (E_RNA) where: Base-Base interactions energy: -1692.176 where: short stacking energy: -716.251 Base-Backbone interact. energy: -2.803 local terms energy: -717.551928 where: bonds (distance) C4'-P energy: -134.396 bonds (distance) P-C4' energy: -149.317 flat angles C4'-P-C4' energy: -148.577 flat angles P-C4'-P energy: -84.947 tors. eta vs tors. theta energy: -200.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2273.318602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.318602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.318602 (E_RNA) where: Base-Base interactions energy: -1545.517 where: short stacking energy: -671.738 Base-Backbone interact. energy: 1.203 local terms energy: -729.005119 where: bonds (distance) C4'-P energy: -131.666 bonds (distance) P-C4' energy: -144.569 flat angles C4'-P-C4' energy: -147.391 flat angles P-C4'-P energy: -105.255 tors. eta vs tors. theta energy: -200.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2107.466011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.466011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.466011 (E_RNA) where: Base-Base interactions energy: -1412.486 where: short stacking energy: -638.287 Base-Backbone interact. energy: -1.875 local terms energy: -693.105707 where: bonds (distance) C4'-P energy: -119.980 bonds (distance) P-C4' energy: -138.853 flat angles C4'-P-C4' energy: -154.394 flat angles P-C4'-P energy: -91.827 tors. eta vs tors. theta energy: -188.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1946.765553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.765553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.765553 (E_RNA) where: Base-Base interactions energy: -1302.918 where: short stacking energy: -552.195 Base-Backbone interact. energy: -2.304 local terms energy: -641.544153 where: bonds (distance) C4'-P energy: -112.579 bonds (distance) P-C4' energy: -138.390 flat angles C4'-P-C4' energy: -158.413 flat angles P-C4'-P energy: -86.080 tors. eta vs tors. theta energy: -146.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1661.270850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.270850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.270850 (E_RNA) where: Base-Base interactions energy: -1068.742 where: short stacking energy: -477.139 Base-Backbone interact. energy: -0.894 local terms energy: -591.634615 where: bonds (distance) C4'-P energy: -123.842 bonds (distance) P-C4' energy: -140.197 flat angles C4'-P-C4' energy: -139.400 flat angles P-C4'-P energy: -78.759 tors. eta vs tors. theta energy: -109.436 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: 8, replica: 6 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1502.108133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.108133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.108133 (E_RNA) where: Base-Base interactions energy: -973.370 where: short stacking energy: -432.394 Base-Backbone interact. energy: 2.427 local terms energy: -531.165447 where: bonds (distance) C4'-P energy: -119.290 bonds (distance) P-C4' energy: -121.515 flat angles C4'-P-C4' energy: -120.612 flat angles P-C4'-P energy: -79.169 tors. eta vs tors. theta energy: -90.580 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: 5 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1077.265355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.265355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.265355 (E_RNA) where: Base-Base interactions energy: -600.195 where: short stacking energy: -306.305 Base-Backbone interact. energy: 3.852 local terms energy: -480.922650 where: bonds (distance) C4'-P energy: -117.446 bonds (distance) P-C4' energy: -118.279 flat angles C4'-P-C4' energy: -125.730 flat angles P-C4'-P energy: -73.089 tors. eta vs tors. theta energy: -46.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -704.531713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.531713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.531713 (E_RNA) where: Base-Base interactions energy: -312.702 where: short stacking energy: -198.193 Base-Backbone interact. energy: 1.256 local terms energy: -393.086556 where: bonds (distance) C4'-P energy: -113.492 bonds (distance) P-C4' energy: -115.044 flat angles C4'-P-C4' energy: -125.830 flat angles P-C4'-P energy: -57.588 tors. eta vs tors. theta energy: 18.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2634.757217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.757217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.757217 (E_RNA) where: Base-Base interactions energy: -1823.946 where: short stacking energy: -779.756 Base-Backbone interact. energy: -2.239 local terms energy: -808.572087 where: bonds (distance) C4'-P energy: -156.205 bonds (distance) P-C4' energy: -151.851 flat angles C4'-P-C4' energy: -164.216 flat angles P-C4'-P energy: -104.566 tors. eta vs tors. theta energy: -231.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2493.754388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.754388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.754388 (E_RNA) where: Base-Base interactions energy: -1700.286 where: short stacking energy: -736.022 Base-Backbone interact. energy: -2.677 local terms energy: -790.791938 where: bonds (distance) C4'-P energy: -148.111 bonds (distance) P-C4' energy: -152.242 flat angles C4'-P-C4' energy: -169.847 flat angles P-C4'-P energy: -97.285 tors. eta vs tors. theta energy: -223.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2379.501543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.501543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.501543 (E_RNA) where: Base-Base interactions energy: -1621.136 where: short stacking energy: -726.144 Base-Backbone interact. energy: -2.690 local terms energy: -755.675398 where: bonds (distance) C4'-P energy: -139.719 bonds (distance) P-C4' energy: -139.811 flat angles C4'-P-C4' energy: -165.781 flat angles P-C4'-P energy: -103.854 tors. eta vs tors. theta energy: -206.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2318.953416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.953416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.953416 (E_RNA) where: Base-Base interactions energy: -1596.315 where: short stacking energy: -653.282 Base-Backbone interact. energy: -0.062 local terms energy: -722.576674 where: bonds (distance) C4'-P energy: -140.734 bonds (distance) P-C4' energy: -138.056 flat angles C4'-P-C4' energy: -151.435 flat angles P-C4'-P energy: -107.656 tors. eta vs tors. theta energy: -184.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2099.158933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.158933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.158933 (E_RNA) where: Base-Base interactions energy: -1411.124 where: short stacking energy: -590.453 Base-Backbone interact. energy: -1.480 local terms energy: -686.555148 where: bonds (distance) C4'-P energy: -129.285 bonds (distance) P-C4' energy: -143.713 flat angles C4'-P-C4' energy: -147.945 flat angles P-C4'-P energy: -96.277 tors. eta vs tors. theta energy: -169.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1933.585634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.585634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.585634 (E_RNA) where: Base-Base interactions energy: -1318.197 where: short stacking energy: -555.967 Base-Backbone interact. energy: -2.880 local terms energy: -612.508229 where: bonds (distance) C4'-P energy: -118.337 bonds (distance) P-C4' energy: -132.640 flat angles C4'-P-C4' energy: -131.837 flat angles P-C4'-P energy: -83.600 tors. eta vs tors. theta energy: -146.094 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: 2 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1691.744259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.744259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.744259 (E_RNA) where: Base-Base interactions energy: -1079.659 where: short stacking energy: -516.400 Base-Backbone interact. energy: 0.274 local terms energy: -612.359978 where: bonds (distance) C4'-P energy: -124.300 bonds (distance) P-C4' energy: -139.410 flat angles C4'-P-C4' energy: -148.869 flat angles P-C4'-P energy: -82.754 tors. eta vs tors. theta energy: -117.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1569.493127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.493127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.493127 (E_RNA) where: Base-Base interactions energy: -1008.911 where: short stacking energy: -457.699 Base-Backbone interact. energy: -2.311 local terms energy: -558.271027 where: bonds (distance) C4'-P energy: -103.340 bonds (distance) P-C4' energy: -136.900 flat angles C4'-P-C4' energy: -129.021 flat angles P-C4'-P energy: -91.747 tors. eta vs tors. theta energy: -97.263 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: 9, replica: 5 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1058.792700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.792700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.792700 (E_RNA) where: Base-Base interactions energy: -603.348 where: short stacking energy: -290.559 Base-Backbone interact. energy: 2.807 local terms energy: -458.251299 where: bonds (distance) C4'-P energy: -116.590 bonds (distance) P-C4' energy: -118.932 flat angles C4'-P-C4' energy: -123.788 flat angles P-C4'-P energy: -62.249 tors. eta vs tors. theta energy: -36.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -697.342592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.342592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.342592 (E_RNA) where: Base-Base interactions energy: -327.166 where: short stacking energy: -192.139 Base-Backbone interact. energy: -2.121 local terms energy: -368.055914 where: bonds (distance) C4'-P energy: -119.604 bonds (distance) P-C4' energy: -119.969 flat angles C4'-P-C4' energy: -86.614 flat angles P-C4'-P energy: -60.083 tors. eta vs tors. theta energy: 18.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2652.949992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.949992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.949992 (E_RNA) where: Base-Base interactions energy: -1831.403 where: short stacking energy: -780.775 Base-Backbone interact. energy: -5.793 local terms energy: -815.754170 where: bonds (distance) C4'-P energy: -151.118 bonds (distance) P-C4' energy: -145.330 flat angles C4'-P-C4' energy: -175.547 flat angles P-C4'-P energy: -111.089 tors. eta vs tors. theta energy: -232.670 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: 8 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2530.461767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.461767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.461767 (E_RNA) where: Base-Base interactions energy: -1717.262 where: short stacking energy: -755.385 Base-Backbone interact. energy: -0.220 local terms energy: -812.979771 where: bonds (distance) C4'-P energy: -163.640 bonds (distance) P-C4' energy: -147.252 flat angles C4'-P-C4' energy: -169.568 flat angles P-C4'-P energy: -111.028 tors. eta vs tors. theta energy: -221.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2345.850452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.850452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.850452 (E_RNA) where: Base-Base interactions energy: -1576.474 where: short stacking energy: -695.506 Base-Backbone interact. energy: 2.047 local terms energy: -771.423739 where: bonds (distance) C4'-P energy: -146.275 bonds (distance) P-C4' energy: -135.459 flat angles C4'-P-C4' energy: -169.666 flat angles P-C4'-P energy: -109.225 tors. eta vs tors. theta energy: -210.799 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: 1 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2332.765987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.765987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.765987 (E_RNA) where: Base-Base interactions energy: -1607.014 where: short stacking energy: -670.028 Base-Backbone interact. energy: -1.838 local terms energy: -723.914220 where: bonds (distance) C4'-P energy: -123.255 bonds (distance) P-C4' energy: -152.170 flat angles C4'-P-C4' energy: -160.025 flat angles P-C4'-P energy: -94.746 tors. eta vs tors. theta energy: -193.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2108.743385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.743385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.743385 (E_RNA) where: Base-Base interactions energy: -1413.183 where: short stacking energy: -630.877 Base-Backbone interact. energy: -1.082 local terms energy: -694.478502 where: bonds (distance) C4'-P energy: -149.395 bonds (distance) P-C4' energy: -135.480 flat angles C4'-P-C4' energy: -152.930 flat angles P-C4'-P energy: -84.377 tors. eta vs tors. theta energy: -172.296 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: 3 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1913.480021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.480021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.480021 (E_RNA) where: Base-Base interactions energy: -1294.377 where: short stacking energy: -522.376 Base-Backbone interact. energy: -0.101 local terms energy: -619.001243 where: bonds (distance) C4'-P energy: -119.144 bonds (distance) P-C4' energy: -128.942 flat angles C4'-P-C4' energy: -151.160 flat angles P-C4'-P energy: -93.253 tors. eta vs tors. theta energy: -126.501 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: 2 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1630.302224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.302224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.302224 (E_RNA) where: Base-Base interactions energy: -1069.124 where: short stacking energy: -470.421 Base-Backbone interact. energy: -3.860 local terms energy: -557.317990 where: bonds (distance) C4'-P energy: -114.404 bonds (distance) P-C4' energy: -139.021 flat angles C4'-P-C4' energy: -131.989 flat angles P-C4'-P energy: -78.455 tors. eta vs tors. theta energy: -93.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1580.083562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.083562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.083562 (E_RNA) where: Base-Base interactions energy: -1035.975 where: short stacking energy: -443.483 Base-Backbone interact. energy: -1.408 local terms energy: -542.701367 where: bonds (distance) C4'-P energy: -126.340 bonds (distance) P-C4' energy: -123.219 flat angles C4'-P-C4' energy: -108.962 flat angles P-C4'-P energy: -93.499 tors. eta vs tors. theta energy: -90.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1103.161233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.161233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.161233 (E_RNA) where: Base-Base interactions energy: -651.437 where: short stacking energy: -325.750 Base-Backbone interact. energy: 4.450 local terms energy: -456.173551 where: bonds (distance) C4'-P energy: -110.967 bonds (distance) P-C4' energy: -122.215 flat angles C4'-P-C4' energy: -118.054 flat angles P-C4'-P energy: -64.074 tors. eta vs tors. theta energy: -40.864 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: 10, replica: 9 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -697.755816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.755816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.755816 (E_RNA) where: Base-Base interactions energy: -331.986 where: short stacking energy: -216.023 Base-Backbone interact. energy: 1.456 local terms energy: -367.225632 where: bonds (distance) C4'-P energy: -105.066 bonds (distance) P-C4' energy: -135.349 flat angles C4'-P-C4' energy: -87.843 flat angles P-C4'-P energy: -49.304 tors. eta vs tors. theta energy: 10.337 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: 4 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2622.110054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.110054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.110054 (E_RNA) where: Base-Base interactions energy: -1795.912 where: short stacking energy: -771.193 Base-Backbone interact. energy: -2.786 local terms energy: -823.411592 where: bonds (distance) C4'-P energy: -144.337 bonds (distance) P-C4' energy: -149.648 flat angles C4'-P-C4' energy: -172.939 flat angles P-C4'-P energy: -120.714 tors. eta vs tors. theta energy: -235.774 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: 8 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2522.962008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.962008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.962008 (E_RNA) where: Base-Base interactions energy: -1733.181 where: short stacking energy: -741.702 Base-Backbone interact. energy: 0.907 local terms energy: -790.688690 where: bonds (distance) C4'-P energy: -139.147 bonds (distance) P-C4' energy: -147.648 flat angles C4'-P-C4' energy: -168.839 flat angles P-C4'-P energy: -122.663 tors. eta vs tors. theta energy: -212.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2356.067917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.067917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.067917 (E_RNA) where: Base-Base interactions energy: -1594.698 where: short stacking energy: -689.536 Base-Backbone interact. energy: -2.816 local terms energy: -758.553767 where: bonds (distance) C4'-P energy: -138.199 bonds (distance) P-C4' energy: -163.253 flat angles C4'-P-C4' energy: -153.222 flat angles P-C4'-P energy: -105.765 tors. eta vs tors. theta energy: -198.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2312.128676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.128676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.128676 (E_RNA) where: Base-Base interactions energy: -1619.867 where: short stacking energy: -678.306 Base-Backbone interact. energy: 3.517 local terms energy: -695.778669 where: bonds (distance) C4'-P energy: -131.167 bonds (distance) P-C4' energy: -127.684 flat angles C4'-P-C4' energy: -157.196 flat angles P-C4'-P energy: -99.340 tors. eta vs tors. theta energy: -180.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2109.312072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.312072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.312072 (E_RNA) where: Base-Base interactions energy: -1412.384 where: short stacking energy: -593.946 Base-Backbone interact. energy: 1.448 local terms energy: -698.376381 where: bonds (distance) C4'-P energy: -124.886 bonds (distance) P-C4' energy: -137.429 flat angles C4'-P-C4' energy: -168.145 flat angles P-C4'-P energy: -91.067 tors. eta vs tors. theta energy: -176.850 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: 3 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1915.457059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.457059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.457059 (E_RNA) where: Base-Base interactions energy: -1293.975 where: short stacking energy: -555.591 Base-Backbone interact. energy: -2.925 local terms energy: -618.557486 where: bonds (distance) C4'-P energy: -115.858 bonds (distance) P-C4' energy: -130.359 flat angles C4'-P-C4' energy: -131.991 flat angles P-C4'-P energy: -88.987 tors. eta vs tors. theta energy: -151.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1609.710108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.710108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.710108 (E_RNA) where: Base-Base interactions energy: -1025.907 where: short stacking energy: -484.025 Base-Backbone interact. energy: 1.726 local terms energy: -585.529447 where: bonds (distance) C4'-P energy: -114.712 bonds (distance) P-C4' energy: -124.402 flat angles C4'-P-C4' energy: -143.993 flat angles P-C4'-P energy: -88.092 tors. eta vs tors. theta energy: -114.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1574.487954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.487954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.487954 (E_RNA) where: Base-Base interactions energy: -1054.607 where: short stacking energy: -449.268 Base-Backbone interact. energy: 1.681 local terms energy: -521.561738 where: bonds (distance) C4'-P energy: -102.250 bonds (distance) P-C4' energy: -106.331 flat angles C4'-P-C4' energy: -128.325 flat angles P-C4'-P energy: -77.675 tors. eta vs tors. theta energy: -106.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1087.678816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.678816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.678816 (E_RNA) where: Base-Base interactions energy: -645.924 where: short stacking energy: -308.014 Base-Backbone interact. energy: -1.542 local terms energy: -440.213137 where: bonds (distance) C4'-P energy: -112.455 bonds (distance) P-C4' energy: -103.015 flat angles C4'-P-C4' energy: -119.079 flat angles P-C4'-P energy: -74.570 tors. eta vs tors. theta energy: -31.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -700.663327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.663327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.663327 (E_RNA) where: Base-Base interactions energy: -305.490 where: short stacking energy: -204.234 Base-Backbone interact. energy: -1.211 local terms energy: -393.962321 where: bonds (distance) C4'-P energy: -104.268 bonds (distance) P-C4' energy: -123.464 flat angles C4'-P-C4' energy: -116.025 flat angles P-C4'-P energy: -60.804 tors. eta vs tors. theta energy: 10.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2644.215607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.215607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.215607 (E_RNA) where: Base-Base interactions energy: -1843.555 where: short stacking energy: -767.387 Base-Backbone interact. energy: 1.995 local terms energy: -802.655260 where: bonds (distance) C4'-P energy: -160.362 bonds (distance) P-C4' energy: -133.062 flat angles C4'-P-C4' energy: -162.785 flat angles P-C4'-P energy: -118.039 tors. eta vs tors. theta energy: -228.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2497.023583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.023583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.023583 (E_RNA) where: Base-Base interactions energy: -1762.685 where: short stacking energy: -764.221 Base-Backbone interact. energy: 6.925 local terms energy: -741.263483 where: bonds (distance) C4'-P energy: -107.825 bonds (distance) P-C4' energy: -141.439 flat angles C4'-P-C4' energy: -169.118 flat angles P-C4'-P energy: -107.653 tors. eta vs tors. theta energy: -215.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2379.580025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.580025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.580025 (E_RNA) where: Base-Base interactions energy: -1642.073 where: short stacking energy: -730.247 Base-Backbone interact. energy: -0.196 local terms energy: -737.310747 where: bonds (distance) C4'-P energy: -127.923 bonds (distance) P-C4' energy: -136.785 flat angles C4'-P-C4' energy: -163.905 flat angles P-C4'-P energy: -100.939 tors. eta vs tors. theta energy: -207.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2296.439972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.439972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.439972 (E_RNA) where: Base-Base interactions energy: -1578.804 where: short stacking energy: -674.216 Base-Backbone interact. energy: -1.480 local terms energy: -716.156281 where: bonds (distance) C4'-P energy: -141.302 bonds (distance) P-C4' energy: -144.370 flat angles C4'-P-C4' energy: -148.240 flat angles P-C4'-P energy: -98.573 tors. eta vs tors. theta energy: -183.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2098.051875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.051875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.051875 (E_RNA) where: Base-Base interactions energy: -1415.138 where: short stacking energy: -611.688 Base-Backbone interact. energy: -2.414 local terms energy: -680.499620 where: bonds (distance) C4'-P energy: -129.362 bonds (distance) P-C4' energy: -130.072 flat angles C4'-P-C4' energy: -156.165 flat angles P-C4'-P energy: -102.987 tors. eta vs tors. theta energy: -161.914 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: 3 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1866.773274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.773274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.773274 (E_RNA) where: Base-Base interactions energy: -1207.390 where: short stacking energy: -547.541 Base-Backbone interact. energy: 0.943 local terms energy: -660.326484 where: bonds (distance) C4'-P energy: -140.980 bonds (distance) P-C4' energy: -132.290 flat angles C4'-P-C4' energy: -135.343 flat angles P-C4'-P energy: -99.770 tors. eta vs tors. theta energy: -151.943 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: 2 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1634.003756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.003756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.003756 (E_RNA) where: Base-Base interactions energy: -1042.825 where: short stacking energy: -498.556 Base-Backbone interact. energy: 0.841 local terms energy: -592.019566 where: bonds (distance) C4'-P energy: -107.192 bonds (distance) P-C4' energy: -134.750 flat angles C4'-P-C4' energy: -150.437 flat angles P-C4'-P energy: -78.879 tors. eta vs tors. theta energy: -120.761 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: 8, replica: 6 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1539.994667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.994667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.994667 (E_RNA) where: Base-Base interactions energy: -1001.702 where: short stacking energy: -449.907 Base-Backbone interact. energy: -0.148 local terms energy: -538.144260 where: bonds (distance) C4'-P energy: -124.663 bonds (distance) P-C4' energy: -120.783 flat angles C4'-P-C4' energy: -130.461 flat angles P-C4'-P energy: -75.659 tors. eta vs tors. theta energy: -86.578 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: 9, replica: 5 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1099.914791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.914791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.914791 (E_RNA) where: Base-Base interactions energy: -607.961 where: short stacking energy: -296.297 Base-Backbone interact. energy: -4.137 local terms energy: -487.817013 where: bonds (distance) C4'-P energy: -136.584 bonds (distance) P-C4' energy: -125.817 flat angles C4'-P-C4' energy: -134.123 flat angles P-C4'-P energy: -54.211 tors. eta vs tors. theta energy: -37.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -679.097941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.097941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.097941 (E_RNA) where: Base-Base interactions energy: -307.012 where: short stacking energy: -213.901 Base-Backbone interact. energy: 4.200 local terms energy: -376.286734 where: bonds (distance) C4'-P energy: -117.131 bonds (distance) P-C4' energy: -131.124 flat angles C4'-P-C4' energy: -82.490 flat angles P-C4'-P energy: -70.255 tors. eta vs tors. theta energy: 24.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2673.339548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.339548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.339548 (E_RNA) where: Base-Base interactions energy: -1885.818 where: short stacking energy: -794.963 Base-Backbone interact. energy: -4.581 local terms energy: -782.941161 where: bonds (distance) C4'-P energy: -129.433 bonds (distance) P-C4' energy: -148.777 flat angles C4'-P-C4' energy: -165.375 flat angles P-C4'-P energy: -111.133 tors. eta vs tors. theta energy: -228.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2519.169931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.169931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.169931 (E_RNA) where: Base-Base interactions energy: -1750.250 where: short stacking energy: -735.805 Base-Backbone interact. energy: 0.933 local terms energy: -769.853114 where: bonds (distance) C4'-P energy: -149.708 bonds (distance) P-C4' energy: -154.450 flat angles C4'-P-C4' energy: -159.986 flat angles P-C4'-P energy: -107.169 tors. eta vs tors. theta energy: -198.541 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: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2364.603701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.603701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.603701 (E_RNA) where: Base-Base interactions energy: -1626.617 where: short stacking energy: -672.855 Base-Backbone interact. energy: -0.347 local terms energy: -737.639808 where: bonds (distance) C4'-P energy: -133.974 bonds (distance) P-C4' energy: -151.331 flat angles C4'-P-C4' energy: -144.505 flat angles P-C4'-P energy: -116.473 tors. eta vs tors. theta energy: -191.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2305.081299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.081299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.081299 (E_RNA) where: Base-Base interactions energy: -1576.271 where: short stacking energy: -672.965 Base-Backbone interact. energy: -4.589 local terms energy: -724.221244 where: bonds (distance) C4'-P energy: -141.743 bonds (distance) P-C4' energy: -129.325 flat angles C4'-P-C4' energy: -163.805 flat angles P-C4'-P energy: -97.893 tors. eta vs tors. theta energy: -191.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2133.807119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.807119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.807119 (E_RNA) where: Base-Base interactions energy: -1457.823 where: short stacking energy: -634.638 Base-Backbone interact. energy: -3.213 local terms energy: -672.771477 where: bonds (distance) C4'-P energy: -120.764 bonds (distance) P-C4' energy: -117.012 flat angles C4'-P-C4' energy: -156.215 flat angles P-C4'-P energy: -100.203 tors. eta vs tors. theta energy: -178.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1887.014361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.014361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.014361 (E_RNA) where: Base-Base interactions energy: -1296.499 where: short stacking energy: -552.468 Base-Backbone interact. energy: 2.657 local terms energy: -593.171500 where: bonds (distance) C4'-P energy: -123.262 bonds (distance) P-C4' energy: -122.966 flat angles C4'-P-C4' energy: -131.025 flat angles P-C4'-P energy: -91.888 tors. eta vs tors. theta energy: -124.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1501.188808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.188808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.188808 (E_RNA) where: Base-Base interactions energy: -958.896 where: short stacking energy: -420.323 Base-Backbone interact. energy: 4.966 local terms energy: -547.258870 where: bonds (distance) C4'-P energy: -104.104 bonds (distance) P-C4' energy: -135.369 flat angles C4'-P-C4' energy: -140.694 flat angles P-C4'-P energy: -101.180 tors. eta vs tors. theta energy: -65.912 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: 8, replica: 2 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1526.787573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.787573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.787573 (E_RNA) where: Base-Base interactions energy: -952.917 where: short stacking energy: -421.273 Base-Backbone interact. energy: 2.192 local terms energy: -576.062353 where: bonds (distance) C4'-P energy: -126.232 bonds (distance) P-C4' energy: -132.733 flat angles C4'-P-C4' energy: -133.160 flat angles P-C4'-P energy: -83.462 tors. eta vs tors. theta energy: -100.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1088.690861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.690861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.690861 (E_RNA) where: Base-Base interactions energy: -625.879 where: short stacking energy: -314.070 Base-Backbone interact. energy: 3.294 local terms energy: -466.106820 where: bonds (distance) C4'-P energy: -117.692 bonds (distance) P-C4' energy: -122.094 flat angles C4'-P-C4' energy: -105.323 flat angles P-C4'-P energy: -80.139 tors. eta vs tors. theta energy: -40.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -707.106905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.106905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.106905 (E_RNA) where: Base-Base interactions energy: -333.961 where: short stacking energy: -208.622 Base-Backbone interact. energy: -1.483 local terms energy: -371.662516 where: bonds (distance) C4'-P energy: -119.177 bonds (distance) P-C4' energy: -109.443 flat angles C4'-P-C4' energy: -104.001 flat angles P-C4'-P energy: -45.110 tors. eta vs tors. theta energy: 6.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2647.463580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.463580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.463580 (E_RNA) where: Base-Base interactions energy: -1845.392 where: short stacking energy: -792.893 Base-Backbone interact. energy: -0.930 local terms energy: -801.141832 where: bonds (distance) C4'-P energy: -144.747 bonds (distance) P-C4' energy: -144.897 flat angles C4'-P-C4' energy: -171.890 flat angles P-C4'-P energy: -100.094 tors. eta vs tors. theta energy: -239.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2522.713651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.713651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.713651 (E_RNA) where: Base-Base interactions energy: -1724.676 where: short stacking energy: -736.856 Base-Backbone interact. energy: -1.415 local terms energy: -796.622858 where: bonds (distance) C4'-P energy: -132.319 bonds (distance) P-C4' energy: -152.409 flat angles C4'-P-C4' energy: -168.067 flat angles P-C4'-P energy: -118.971 tors. eta vs tors. theta energy: -224.858 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: 3, replica: 7 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2383.810310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.810310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.810310 (E_RNA) where: Base-Base interactions energy: -1642.735 where: short stacking energy: -718.440 Base-Backbone interact. energy: -2.084 local terms energy: -738.990566 where: bonds (distance) C4'-P energy: -141.418 bonds (distance) P-C4' energy: -132.234 flat angles C4'-P-C4' energy: -165.325 flat angles P-C4'-P energy: -100.378 tors. eta vs tors. theta energy: -199.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2292.015395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.015395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.015395 (E_RNA) where: Base-Base interactions energy: -1580.518 where: short stacking energy: -685.105 Base-Backbone interact. energy: -4.095 local terms energy: -707.402270 where: bonds (distance) C4'-P energy: -131.473 bonds (distance) P-C4' energy: -131.735 flat angles C4'-P-C4' energy: -152.134 flat angles P-C4'-P energy: -100.027 tors. eta vs tors. theta energy: -192.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2045.958220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.958220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.958220 (E_RNA) where: Base-Base interactions energy: -1395.277 where: short stacking energy: -605.113 Base-Backbone interact. energy: 0.730 local terms energy: -651.411714 where: bonds (distance) C4'-P energy: -138.237 bonds (distance) P-C4' energy: -126.385 flat angles C4'-P-C4' energy: -136.569 flat angles P-C4'-P energy: -78.733 tors. eta vs tors. theta energy: -171.489 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: 3 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1973.737743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.737743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.737743 (E_RNA) where: Base-Base interactions energy: -1321.320 where: short stacking energy: -569.452 Base-Backbone interact. energy: -2.418 local terms energy: -650.000154 where: bonds (distance) C4'-P energy: -133.438 bonds (distance) P-C4' energy: -130.799 flat angles C4'-P-C4' energy: -134.409 flat angles P-C4'-P energy: -95.663 tors. eta vs tors. theta energy: -155.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1640.066991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.066991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.066991 (E_RNA) where: Base-Base interactions energy: -1073.600 where: short stacking energy: -493.508 Base-Backbone interact. energy: 4.151 local terms energy: -570.617846 where: bonds (distance) C4'-P energy: -105.918 bonds (distance) P-C4' energy: -140.806 flat angles C4'-P-C4' energy: -133.783 flat angles P-C4'-P energy: -83.292 tors. eta vs tors. theta energy: -106.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1596.602741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.602741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.602741 (E_RNA) where: Base-Base interactions energy: -1045.982 where: short stacking energy: -448.996 Base-Backbone interact. energy: 1.613 local terms energy: -552.233839 where: bonds (distance) C4'-P energy: -114.479 bonds (distance) P-C4' energy: -134.540 flat angles C4'-P-C4' energy: -127.879 flat angles P-C4'-P energy: -77.288 tors. eta vs tors. theta energy: -98.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1015.478144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.478144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.478144 (E_RNA) where: Base-Base interactions energy: -586.239 where: short stacking energy: -303.625 Base-Backbone interact. energy: -1.363 local terms energy: -427.876205 where: bonds (distance) C4'-P energy: -104.427 bonds (distance) P-C4' energy: -110.967 flat angles C4'-P-C4' energy: -111.270 flat angles P-C4'-P energy: -76.565 tors. eta vs tors. theta energy: -24.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -687.182763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.182763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.182763 (E_RNA) where: Base-Base interactions energy: -263.664 where: short stacking energy: -186.177 Base-Backbone interact. energy: 1.318 local terms energy: -424.837297 where: bonds (distance) C4'-P energy: -100.750 bonds (distance) P-C4' energy: -133.347 flat angles C4'-P-C4' energy: -128.065 flat angles P-C4'-P energy: -62.049 tors. eta vs tors. theta energy: -0.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2651.765793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.765793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.765793 (E_RNA) where: Base-Base interactions energy: -1838.173 where: short stacking energy: -793.318 Base-Backbone interact. energy: 0.567 local terms energy: -814.159661 where: bonds (distance) C4'-P energy: -146.724 bonds (distance) P-C4' energy: -147.875 flat angles C4'-P-C4' energy: -180.743 flat angles P-C4'-P energy: -103.797 tors. eta vs tors. theta energy: -235.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2544.983473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.983473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.983473 (E_RNA) where: Base-Base interactions energy: -1768.621 where: short stacking energy: -757.433 Base-Backbone interact. energy: -2.881 local terms energy: -773.481824 where: bonds (distance) C4'-P energy: -134.649 bonds (distance) P-C4' energy: -152.990 flat angles C4'-P-C4' energy: -163.737 flat angles P-C4'-P energy: -92.945 tors. eta vs tors. theta energy: -229.160 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: 3, replica: 7 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2384.084639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.084639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.084639 (E_RNA) where: Base-Base interactions energy: -1664.765 where: short stacking energy: -685.844 Base-Backbone interact. energy: -0.168 local terms energy: -719.151292 where: bonds (distance) C4'-P energy: -134.064 bonds (distance) P-C4' energy: -128.889 flat angles C4'-P-C4' energy: -158.089 flat angles P-C4'-P energy: -100.200 tors. eta vs tors. theta energy: -197.909 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: 1 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2311.930502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.930502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.930502 (E_RNA) where: Base-Base interactions energy: -1587.022 where: short stacking energy: -661.555 Base-Backbone interact. energy: -2.803 local terms energy: -722.105379 where: bonds (distance) C4'-P energy: -132.207 bonds (distance) P-C4' energy: -142.975 flat angles C4'-P-C4' energy: -161.405 flat angles P-C4'-P energy: -93.684 tors. eta vs tors. theta energy: -191.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2053.829787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.829787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.829787 (E_RNA) where: Base-Base interactions energy: -1410.124 where: short stacking energy: -595.243 Base-Backbone interact. energy: -3.366 local terms energy: -640.339890 where: bonds (distance) C4'-P energy: -113.484 bonds (distance) P-C4' energy: -130.750 flat angles C4'-P-C4' energy: -150.861 flat angles P-C4'-P energy: -82.819 tors. eta vs tors. theta energy: -162.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1975.929087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.929087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.929087 (E_RNA) where: Base-Base interactions energy: -1329.635 where: short stacking energy: -579.275 Base-Backbone interact. energy: -4.072 local terms energy: -642.222600 where: bonds (distance) C4'-P energy: -117.299 bonds (distance) P-C4' energy: -118.746 flat angles C4'-P-C4' energy: -158.591 flat angles P-C4'-P energy: -88.635 tors. eta vs tors. theta energy: -158.952 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: 2 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1694.019067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.019067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.019067 (E_RNA) where: Base-Base interactions energy: -1107.247 where: short stacking energy: -497.761 Base-Backbone interact. energy: 1.869 local terms energy: -588.641388 where: bonds (distance) C4'-P energy: -114.551 bonds (distance) P-C4' energy: -130.085 flat angles C4'-P-C4' energy: -138.068 flat angles P-C4'-P energy: -80.824 tors. eta vs tors. theta energy: -125.114 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: 6 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1533.999584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.999584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.999584 (E_RNA) where: Base-Base interactions energy: -974.086 where: short stacking energy: -429.218 Base-Backbone interact. energy: 4.178 local terms energy: -564.091333 where: bonds (distance) C4'-P energy: -109.960 bonds (distance) P-C4' energy: -133.380 flat angles C4'-P-C4' energy: -129.671 flat angles P-C4'-P energy: -92.689 tors. eta vs tors. theta energy: -98.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1020.528523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.528523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.528523 (E_RNA) where: Base-Base interactions energy: -624.363 where: short stacking energy: -309.607 Base-Backbone interact. energy: 0.003 local terms energy: -396.168182 where: bonds (distance) C4'-P energy: -98.887 bonds (distance) P-C4' energy: -114.274 flat angles C4'-P-C4' energy: -109.468 flat angles P-C4'-P energy: -48.527 tors. eta vs tors. theta energy: -25.012 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: 9 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -703.721614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.721614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.721614 (E_RNA) where: Base-Base interactions energy: -304.722 where: short stacking energy: -207.242 Base-Backbone interact. energy: 5.637 local terms energy: -404.637238 where: bonds (distance) C4'-P energy: -105.249 bonds (distance) P-C4' energy: -124.138 flat angles C4'-P-C4' energy: -108.282 flat angles P-C4'-P energy: -71.742 tors. eta vs tors. theta energy: 4.773 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: 4 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2652.957799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.957799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.957799 (E_RNA) where: Base-Base interactions energy: -1844.016 where: short stacking energy: -779.122 Base-Backbone interact. energy: -2.512 local terms energy: -806.430359 where: bonds (distance) C4'-P energy: -153.104 bonds (distance) P-C4' energy: -146.641 flat angles C4'-P-C4' energy: -167.241 flat angles P-C4'-P energy: -110.213 tors. eta vs tors. theta energy: -229.230 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: 8 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2503.530500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.530500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.530500 (E_RNA) where: Base-Base interactions energy: -1715.165 where: short stacking energy: -753.942 Base-Backbone interact. energy: -0.878 local terms energy: -787.487777 where: bonds (distance) C4'-P energy: -138.074 bonds (distance) P-C4' energy: -151.269 flat angles C4'-P-C4' energy: -172.767 flat angles P-C4'-P energy: -104.932 tors. eta vs tors. theta energy: -220.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2375.947574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.947574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.947574 (E_RNA) where: Base-Base interactions energy: -1633.717 where: short stacking energy: -703.109 Base-Backbone interact. energy: -1.814 local terms energy: -740.416944 where: bonds (distance) C4'-P energy: -132.647 bonds (distance) P-C4' energy: -139.752 flat angles C4'-P-C4' energy: -150.219 flat angles P-C4'-P energy: -109.631 tors. eta vs tors. theta energy: -208.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2237.813412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.813412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.813412 (E_RNA) where: Base-Base interactions energy: -1551.988 where: short stacking energy: -669.328 Base-Backbone interact. energy: 1.684 local terms energy: -687.510046 where: bonds (distance) C4'-P energy: -130.920 bonds (distance) P-C4' energy: -119.419 flat angles C4'-P-C4' energy: -143.353 flat angles P-C4'-P energy: -109.900 tors. eta vs tors. theta energy: -183.918 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: 3 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2039.408505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.408505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.408505 (E_RNA) where: Base-Base interactions energy: -1380.603 where: short stacking energy: -615.698 Base-Backbone interact. energy: -1.027 local terms energy: -657.777750 where: bonds (distance) C4'-P energy: -107.193 bonds (distance) P-C4' energy: -134.649 flat angles C4'-P-C4' energy: -159.255 flat angles P-C4'-P energy: -87.291 tors. eta vs tors. theta energy: -169.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1955.537763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.537763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.537763 (E_RNA) where: Base-Base interactions energy: -1298.588 where: short stacking energy: -560.799 Base-Backbone interact. energy: -4.705 local terms energy: -652.244523 where: bonds (distance) C4'-P energy: -128.852 bonds (distance) P-C4' energy: -129.332 flat angles C4'-P-C4' energy: -143.729 flat angles P-C4'-P energy: -101.077 tors. eta vs tors. theta energy: -149.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1698.836760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.836760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.836760 (E_RNA) where: Base-Base interactions energy: -1130.552 where: short stacking energy: -508.565 Base-Backbone interact. energy: -0.704 local terms energy: -567.580534 where: bonds (distance) C4'-P energy: -117.679 bonds (distance) P-C4' energy: -111.863 flat angles C4'-P-C4' energy: -136.628 flat angles P-C4'-P energy: -71.289 tors. eta vs tors. theta energy: -130.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1483.394054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.394054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.394054 (E_RNA) where: Base-Base interactions energy: -922.182 where: short stacking energy: -415.497 Base-Backbone interact. energy: -2.810 local terms energy: -558.401379 where: bonds (distance) C4'-P energy: -127.335 bonds (distance) P-C4' energy: -125.313 flat angles C4'-P-C4' energy: -141.266 flat angles P-C4'-P energy: -72.239 tors. eta vs tors. theta energy: -92.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -969.828896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.828896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.828896 (E_RNA) where: Base-Base interactions energy: -513.809 where: short stacking energy: -262.726 Base-Backbone interact. energy: 0.542 local terms energy: -456.562017 where: bonds (distance) C4'-P energy: -105.714 bonds (distance) P-C4' energy: -137.303 flat angles C4'-P-C4' energy: -131.351 flat angles P-C4'-P energy: -69.345 tors. eta vs tors. theta energy: -12.849 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: 9 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -715.742592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.742592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.742592 (E_RNA) where: Base-Base interactions energy: -317.598 where: short stacking energy: -197.559 Base-Backbone interact. energy: 1.154 local terms energy: -399.298090 where: bonds (distance) C4'-P energy: -111.129 bonds (distance) P-C4' energy: -132.423 flat angles C4'-P-C4' energy: -101.907 flat angles P-C4'-P energy: -55.752 tors. eta vs tors. theta energy: 1.913 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: 4 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2632.628030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.628030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.628030 (E_RNA) where: Base-Base interactions energy: -1819.601 where: short stacking energy: -756.941 Base-Backbone interact. energy: -5.391 local terms energy: -807.636078 where: bonds (distance) C4'-P energy: -156.548 bonds (distance) P-C4' energy: -150.587 flat angles C4'-P-C4' energy: -163.504 flat angles P-C4'-P energy: -104.504 tors. eta vs tors. theta energy: -232.493 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: 8 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2513.474770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.474770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.474770 (E_RNA) where: Base-Base interactions energy: -1708.854 where: short stacking energy: -745.164 Base-Backbone interact. energy: -0.941 local terms energy: -803.679481 where: bonds (distance) C4'-P energy: -142.856 bonds (distance) P-C4' energy: -152.611 flat angles C4'-P-C4' energy: -177.907 flat angles P-C4'-P energy: -120.054 tors. eta vs tors. theta energy: -210.251 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: 3, replica: 7 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2348.120668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.120668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.120668 (E_RNA) where: Base-Base interactions energy: -1609.613 where: short stacking energy: -706.964 Base-Backbone interact. energy: -3.197 local terms energy: -735.310889 where: bonds (distance) C4'-P energy: -134.196 bonds (distance) P-C4' energy: -133.390 flat angles C4'-P-C4' energy: -153.927 flat angles P-C4'-P energy: -109.420 tors. eta vs tors. theta energy: -204.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2275.162048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.162048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.162048 (E_RNA) where: Base-Base interactions energy: -1560.135 where: short stacking energy: -709.641 Base-Backbone interact. energy: -0.806 local terms energy: -714.220541 where: bonds (distance) C4'-P energy: -130.649 bonds (distance) P-C4' energy: -123.737 flat angles C4'-P-C4' energy: -161.578 flat angles P-C4'-P energy: -105.805 tors. eta vs tors. theta energy: -192.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2042.232600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.232600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.232600 (E_RNA) where: Base-Base interactions energy: -1350.221 where: short stacking energy: -595.484 Base-Backbone interact. energy: -1.593 local terms energy: -690.418866 where: bonds (distance) C4'-P energy: -132.716 bonds (distance) P-C4' energy: -147.276 flat angles C4'-P-C4' energy: -139.168 flat angles P-C4'-P energy: -108.376 tors. eta vs tors. theta energy: -162.882 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: 290 Temperature: 1.150000 Total energy: -2009.707457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.707457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.707457 (E_RNA) where: Base-Base interactions energy: -1365.978 where: short stacking energy: -581.115 Base-Backbone interact. energy: -3.669 local terms energy: -640.060874 where: bonds (distance) C4'-P energy: -123.824 bonds (distance) P-C4' energy: -151.178 flat angles C4'-P-C4' energy: -128.265 flat angles P-C4'-P energy: -72.909 tors. eta vs tors. theta energy: -163.885 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: 7, replica: 2 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1642.704858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.704858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.704858 (E_RNA) where: Base-Base interactions energy: -1088.202 where: short stacking energy: -436.617 Base-Backbone interact. energy: -2.382 local terms energy: -552.121710 where: bonds (distance) C4'-P energy: -116.281 bonds (distance) P-C4' energy: -135.414 flat angles C4'-P-C4' energy: -118.996 flat angles P-C4'-P energy: -83.894 tors. eta vs tors. theta energy: -97.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1589.302212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.302212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.302212 (E_RNA) where: Base-Base interactions energy: -1047.167 where: short stacking energy: -483.991 Base-Backbone interact. energy: -1.440 local terms energy: -540.695170 where: bonds (distance) C4'-P energy: -124.456 bonds (distance) P-C4' energy: -124.281 flat angles C4'-P-C4' energy: -123.071 flat angles P-C4'-P energy: -57.013 tors. eta vs tors. theta energy: -111.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -904.483071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.483071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.483071 (E_RNA) where: Base-Base interactions energy: -493.618 where: short stacking energy: -256.277 Base-Backbone interact. energy: 4.955 local terms energy: -415.819797 where: bonds (distance) C4'-P energy: -122.952 bonds (distance) P-C4' energy: -135.400 flat angles C4'-P-C4' energy: -77.380 flat angles P-C4'-P energy: -65.204 tors. eta vs tors. theta energy: -14.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -704.238732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.238732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.238732 (E_RNA) where: Base-Base interactions energy: -318.534 where: short stacking energy: -220.794 Base-Backbone interact. energy: 1.022 local terms energy: -386.726211 where: bonds (distance) C4'-P energy: -120.397 bonds (distance) P-C4' energy: -118.459 flat angles C4'-P-C4' energy: -94.209 flat angles P-C4'-P energy: -57.959 tors. eta vs tors. theta energy: 4.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2643.995070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.995070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.995070 (E_RNA) where: Base-Base interactions energy: -1841.620 where: short stacking energy: -778.668 Base-Backbone interact. energy: -4.766 local terms energy: -797.608717 where: bonds (distance) C4'-P energy: -142.899 bonds (distance) P-C4' energy: -146.657 flat angles C4'-P-C4' energy: -165.645 flat angles P-C4'-P energy: -108.439 tors. eta vs tors. theta energy: -233.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2483.605831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.605831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.605831 (E_RNA) where: Base-Base interactions energy: -1735.354 where: short stacking energy: -754.133 Base-Backbone interact. energy: -3.184 local terms energy: -745.068254 where: bonds (distance) C4'-P energy: -119.258 bonds (distance) P-C4' energy: -138.311 flat angles C4'-P-C4' energy: -163.548 flat angles P-C4'-P energy: -95.708 tors. eta vs tors. theta energy: -228.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2381.556810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.556810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.556810 (E_RNA) where: Base-Base interactions energy: -1625.194 where: short stacking energy: -711.304 Base-Backbone interact. energy: -1.004 local terms energy: -755.359121 where: bonds (distance) C4'-P energy: -148.664 bonds (distance) P-C4' energy: -148.969 flat angles C4'-P-C4' energy: -150.117 flat angles P-C4'-P energy: -98.977 tors. eta vs tors. theta energy: -208.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2229.157073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.157073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.157073 (E_RNA) where: Base-Base interactions energy: -1518.367 where: short stacking energy: -658.980 Base-Backbone interact. energy: -7.969 local terms energy: -702.820866 where: bonds (distance) C4'-P energy: -124.619 bonds (distance) P-C4' energy: -153.806 flat angles C4'-P-C4' energy: -149.564 flat angles P-C4'-P energy: -86.936 tors. eta vs tors. theta energy: -187.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2022.979184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.979184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.979184 (E_RNA) where: Base-Base interactions energy: -1348.936 where: short stacking energy: -591.918 Base-Backbone interact. energy: 1.488 local terms energy: -675.531167 where: bonds (distance) C4'-P energy: -122.813 bonds (distance) P-C4' energy: -127.570 flat angles C4'-P-C4' energy: -169.459 flat angles P-C4'-P energy: -90.633 tors. eta vs tors. theta energy: -165.056 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: 6, replica: 10 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1968.200519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.200519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.200519 (E_RNA) where: Base-Base interactions energy: -1335.925 where: short stacking energy: -588.947 Base-Backbone interact. energy: -3.368 local terms energy: -628.907229 where: bonds (distance) C4'-P energy: -121.607 bonds (distance) P-C4' energy: -114.476 flat angles C4'-P-C4' energy: -146.246 flat angles P-C4'-P energy: -99.565 tors. eta vs tors. theta energy: -147.014 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: 2 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1689.786543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.786543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.786543 (E_RNA) where: Base-Base interactions energy: -1119.332 where: short stacking energy: -483.922 Base-Backbone interact. energy: -0.078 local terms energy: -570.375848 where: bonds (distance) C4'-P energy: -122.151 bonds (distance) P-C4' energy: -119.310 flat angles C4'-P-C4' energy: -123.945 flat angles P-C4'-P energy: -86.769 tors. eta vs tors. theta energy: -118.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1556.031714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.031714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.031714 (E_RNA) where: Base-Base interactions energy: -1017.254 where: short stacking energy: -432.870 Base-Backbone interact. energy: 0.246 local terms energy: -539.024190 where: bonds (distance) C4'-P energy: -99.255 bonds (distance) P-C4' energy: -135.110 flat angles C4'-P-C4' energy: -130.521 flat angles P-C4'-P energy: -78.819 tors. eta vs tors. theta energy: -95.320 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: 5 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -900.411394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.411394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.411394 (E_RNA) where: Base-Base interactions energy: -455.171 where: short stacking energy: -257.423 Base-Backbone interact. energy: 2.696 local terms energy: -447.936554 where: bonds (distance) C4'-P energy: -114.751 bonds (distance) P-C4' energy: -128.426 flat angles C4'-P-C4' energy: -115.726 flat angles P-C4'-P energy: -67.851 tors. eta vs tors. theta energy: -21.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -737.276493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.276493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.276493 (E_RNA) where: Base-Base interactions energy: -339.038 where: short stacking energy: -188.416 Base-Backbone interact. energy: -0.594 local terms energy: -397.645013 where: bonds (distance) C4'-P energy: -110.952 bonds (distance) P-C4' energy: -136.863 flat angles C4'-P-C4' energy: -82.762 flat angles P-C4'-P energy: -66.018 tors. eta vs tors. theta energy: -1.050 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: 4 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2660.388815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.388815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.388815 (E_RNA) where: Base-Base interactions energy: -1839.765 where: short stacking energy: -779.495 Base-Backbone interact. energy: -2.578 local terms energy: -818.046543 where: bonds (distance) C4'-P energy: -146.069 bonds (distance) P-C4' energy: -164.827 flat angles C4'-P-C4' energy: -176.341 flat angles P-C4'-P energy: -109.390 tors. eta vs tors. theta energy: -221.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2494.718546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.718546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.718546 (E_RNA) where: Base-Base interactions energy: -1721.291 where: short stacking energy: -742.269 Base-Backbone interact. energy: -2.206 local terms energy: -771.221480 where: bonds (distance) C4'-P energy: -128.246 bonds (distance) P-C4' energy: -147.670 flat angles C4'-P-C4' energy: -167.002 flat angles P-C4'-P energy: -108.370 tors. eta vs tors. theta energy: -219.933 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: 292 Temperature: 1.000000 Total energy: -2392.713455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.713455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.713455 (E_RNA) where: Base-Base interactions energy: -1650.640 where: short stacking energy: -710.269 Base-Backbone interact. energy: 0.122 local terms energy: -742.195745 where: bonds (distance) C4'-P energy: -130.609 bonds (distance) P-C4' energy: -154.730 flat angles C4'-P-C4' energy: -154.559 flat angles P-C4'-P energy: -98.391 tors. eta vs tors. theta energy: -203.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2238.674040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.674040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.674040 (E_RNA) where: Base-Base interactions energy: -1540.199 where: short stacking energy: -645.296 Base-Backbone interact. energy: -0.671 local terms energy: -697.803858 where: bonds (distance) C4'-P energy: -127.947 bonds (distance) P-C4' energy: -131.835 flat angles C4'-P-C4' energy: -164.717 flat angles P-C4'-P energy: -87.987 tors. eta vs tors. theta energy: -185.318 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: 292 Temperature: 1.100000 Total energy: -2054.373584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.373584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.373584 (E_RNA) where: Base-Base interactions energy: -1386.129 where: short stacking energy: -631.359 Base-Backbone interact. energy: -3.129 local terms energy: -665.116201 where: bonds (distance) C4'-P energy: -111.241 bonds (distance) P-C4' energy: -133.479 flat angles C4'-P-C4' energy: -149.656 flat angles P-C4'-P energy: -99.386 tors. eta vs tors. theta energy: -171.354 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: 10 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2004.011170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.011170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.011170 (E_RNA) where: Base-Base interactions energy: -1368.373 where: short stacking energy: -605.130 Base-Backbone interact. energy: 0.399 local terms energy: -636.036732 where: bonds (distance) C4'-P energy: -132.823 bonds (distance) P-C4' energy: -111.164 flat angles C4'-P-C4' energy: -154.194 flat angles P-C4'-P energy: -75.128 tors. eta vs tors. theta energy: -162.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1729.415185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.415185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.415185 (E_RNA) where: Base-Base interactions energy: -1150.085 where: short stacking energy: -493.676 Base-Backbone interact. energy: -0.494 local terms energy: -578.836001 where: bonds (distance) C4'-P energy: -121.638 bonds (distance) P-C4' energy: -127.012 flat angles C4'-P-C4' energy: -131.983 flat angles P-C4'-P energy: -83.185 tors. eta vs tors. theta energy: -115.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1506.972839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.972839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.972839 (E_RNA) where: Base-Base interactions energy: -961.935 where: short stacking energy: -444.817 Base-Backbone interact. energy: -1.721 local terms energy: -543.316458 where: bonds (distance) C4'-P energy: -129.163 bonds (distance) P-C4' energy: -134.360 flat angles C4'-P-C4' energy: -119.388 flat angles P-C4'-P energy: -70.191 tors. eta vs tors. theta energy: -90.214 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: 5 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -863.548658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.548658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.548658 (E_RNA) where: Base-Base interactions energy: -443.389 where: short stacking energy: -252.124 Base-Backbone interact. energy: 4.357 local terms energy: -424.516388 where: bonds (distance) C4'-P energy: -118.877 bonds (distance) P-C4' energy: -115.203 flat angles C4'-P-C4' energy: -107.803 flat angles P-C4'-P energy: -75.606 tors. eta vs tors. theta energy: -7.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -794.451035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.451035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.451035 (E_RNA) where: Base-Base interactions energy: -383.817 where: short stacking energy: -226.397 Base-Backbone interact. energy: 0.850 local terms energy: -411.483482 where: bonds (distance) C4'-P energy: -108.291 bonds (distance) P-C4' energy: -114.932 flat angles C4'-P-C4' energy: -110.280 flat angles P-C4'-P energy: -76.223 tors. eta vs tors. theta energy: -1.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2635.154327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.154327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.154327 (E_RNA) where: Base-Base interactions energy: -1830.934 where: short stacking energy: -803.889 Base-Backbone interact. energy: -4.592 local terms energy: -799.628691 where: bonds (distance) C4'-P energy: -134.422 bonds (distance) P-C4' energy: -154.159 flat angles C4'-P-C4' energy: -158.356 flat angles P-C4'-P energy: -111.610 tors. eta vs tors. theta energy: -241.082 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: 8 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2536.860803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.860803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.860803 (E_RNA) where: Base-Base interactions energy: -1750.252 where: short stacking energy: -790.864 Base-Backbone interact. energy: -3.238 local terms energy: -783.371086 where: bonds (distance) C4'-P energy: -151.922 bonds (distance) P-C4' energy: -127.441 flat angles C4'-P-C4' energy: -168.541 flat angles P-C4'-P energy: -115.161 tors. eta vs tors. theta energy: -220.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2396.767172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.767172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.767172 (E_RNA) where: Base-Base interactions energy: -1654.422 where: short stacking energy: -693.338 Base-Backbone interact. energy: -3.235 local terms energy: -739.110121 where: bonds (distance) C4'-P energy: -138.523 bonds (distance) P-C4' energy: -127.633 flat angles C4'-P-C4' energy: -152.770 flat angles P-C4'-P energy: -113.027 tors. eta vs tors. theta energy: -207.157 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: 1 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2239.073231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.073231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.073231 (E_RNA) where: Base-Base interactions energy: -1551.153 where: short stacking energy: -649.712 Base-Backbone interact. energy: 2.277 local terms energy: -690.196635 where: bonds (distance) C4'-P energy: -135.845 bonds (distance) P-C4' energy: -140.017 flat angles C4'-P-C4' energy: -147.276 flat angles P-C4'-P energy: -104.072 tors. eta vs tors. theta energy: -162.988 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: 3 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2073.670770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.670770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.670770 (E_RNA) where: Base-Base interactions energy: -1398.868 where: short stacking energy: -606.075 Base-Backbone interact. energy: -4.841 local terms energy: -669.961786 where: bonds (distance) C4'-P energy: -113.593 bonds (distance) P-C4' energy: -129.822 flat angles C4'-P-C4' energy: -156.544 flat angles P-C4'-P energy: -100.672 tors. eta vs tors. theta energy: -169.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2076.534676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.534676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.534676 (E_RNA) where: Base-Base interactions energy: -1398.104 where: short stacking energy: -632.977 Base-Backbone interact. energy: -4.029 local terms energy: -674.401571 where: bonds (distance) C4'-P energy: -119.145 bonds (distance) P-C4' energy: -144.489 flat angles C4'-P-C4' energy: -139.385 flat angles P-C4'-P energy: -98.982 tors. eta vs tors. theta energy: -172.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1701.612289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.612289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.612289 (E_RNA) where: Base-Base interactions energy: -1142.143 where: short stacking energy: -472.125 Base-Backbone interact. energy: -2.553 local terms energy: -556.916289 where: bonds (distance) C4'-P energy: -128.669 bonds (distance) P-C4' energy: -115.977 flat angles C4'-P-C4' energy: -136.315 flat angles P-C4'-P energy: -76.305 tors. eta vs tors. theta energy: -99.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1466.514976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.514976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.514976 (E_RNA) where: Base-Base interactions energy: -959.075 where: short stacking energy: -413.873 Base-Backbone interact. energy: -5.587 local terms energy: -501.852730 where: bonds (distance) C4'-P energy: -86.905 bonds (distance) P-C4' energy: -128.229 flat angles C4'-P-C4' energy: -126.564 flat angles P-C4'-P energy: -73.494 tors. eta vs tors. theta energy: -86.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -871.060652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.060652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.060652 (E_RNA) where: Base-Base interactions energy: -445.339 where: short stacking energy: -251.064 Base-Backbone interact. energy: 5.393 local terms energy: -431.115362 where: bonds (distance) C4'-P energy: -118.678 bonds (distance) P-C4' energy: -136.491 flat angles C4'-P-C4' energy: -98.294 flat angles P-C4'-P energy: -62.811 tors. eta vs tors. theta energy: -14.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -833.356921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.356921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.356921 (E_RNA) where: Base-Base interactions energy: -453.900 where: short stacking energy: -238.438 Base-Backbone interact. energy: 2.392 local terms energy: -381.848768 where: bonds (distance) C4'-P energy: -118.579 bonds (distance) P-C4' energy: -121.803 flat angles C4'-P-C4' energy: -88.452 flat angles P-C4'-P energy: -51.011 tors. eta vs tors. theta energy: -2.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2656.918946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.918946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.918946 (E_RNA) where: Base-Base interactions energy: -1850.349 where: short stacking energy: -786.940 Base-Backbone interact. energy: -3.170 local terms energy: -803.399956 where: bonds (distance) C4'-P energy: -149.906 bonds (distance) P-C4' energy: -154.764 flat angles C4'-P-C4' energy: -157.953 flat angles P-C4'-P energy: -114.695 tors. eta vs tors. theta energy: -226.082 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: 8 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2501.422103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.422103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.422103 (E_RNA) where: Base-Base interactions energy: -1712.618 where: short stacking energy: -748.642 Base-Backbone interact. energy: -3.284 local terms energy: -785.520500 where: bonds (distance) C4'-P energy: -130.722 bonds (distance) P-C4' energy: -152.708 flat angles C4'-P-C4' energy: -171.995 flat angles P-C4'-P energy: -110.013 tors. eta vs tors. theta energy: -220.082 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: 7 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2350.595185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.595185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.595185 (E_RNA) where: Base-Base interactions energy: -1582.321 where: short stacking energy: -686.891 Base-Backbone interact. energy: -3.280 local terms energy: -764.994118 where: bonds (distance) C4'-P energy: -151.272 bonds (distance) P-C4' energy: -138.717 flat angles C4'-P-C4' energy: -168.084 flat angles P-C4'-P energy: -115.327 tors. eta vs tors. theta energy: -191.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2276.686868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.686868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.686868 (E_RNA) where: Base-Base interactions energy: -1549.572 where: short stacking energy: -648.476 Base-Backbone interact. energy: -4.038 local terms energy: -723.077717 where: bonds (distance) C4'-P energy: -137.627 bonds (distance) P-C4' energy: -135.630 flat angles C4'-P-C4' energy: -162.307 flat angles P-C4'-P energy: -94.933 tors. eta vs tors. theta energy: -192.580 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: 10 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2104.204507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.204507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.204507 (E_RNA) where: Base-Base interactions energy: -1423.234 where: short stacking energy: -623.231 Base-Backbone interact. energy: -2.869 local terms energy: -678.101438 where: bonds (distance) C4'-P energy: -138.447 bonds (distance) P-C4' energy: -124.672 flat angles C4'-P-C4' energy: -147.763 flat angles P-C4'-P energy: -94.785 tors. eta vs tors. theta energy: -172.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1934.345171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.345171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.345171 (E_RNA) where: Base-Base interactions energy: -1288.339 where: short stacking energy: -581.830 Base-Backbone interact. energy: -3.428 local terms energy: -642.577594 where: bonds (distance) C4'-P energy: -113.098 bonds (distance) P-C4' energy: -137.458 flat angles C4'-P-C4' energy: -150.449 flat angles P-C4'-P energy: -98.245 tors. eta vs tors. theta energy: -143.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1678.480020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.480020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.480020 (E_RNA) where: Base-Base interactions energy: -1096.130 where: short stacking energy: -489.722 Base-Backbone interact. energy: 1.858 local terms energy: -584.208553 where: bonds (distance) C4'-P energy: -128.071 bonds (distance) P-C4' energy: -146.383 flat angles C4'-P-C4' energy: -126.067 flat angles P-C4'-P energy: -76.387 tors. eta vs tors. theta energy: -107.300 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: 6 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1533.987892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.987892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.987892 (E_RNA) where: Base-Base interactions energy: -1016.542 where: short stacking energy: -459.930 Base-Backbone interact. energy: 0.682 local terms energy: -518.128406 where: bonds (distance) C4'-P energy: -106.238 bonds (distance) P-C4' energy: -124.982 flat angles C4'-P-C4' energy: -139.264 flat angles P-C4'-P energy: -72.885 tors. eta vs tors. theta energy: -74.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -861.297585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.297585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.297585 (E_RNA) where: Base-Base interactions energy: -443.016 where: short stacking energy: -231.098 Base-Backbone interact. energy: -0.977 local terms energy: -417.303882 where: bonds (distance) C4'-P energy: -112.616 bonds (distance) P-C4' energy: -121.014 flat angles C4'-P-C4' energy: -111.151 flat angles P-C4'-P energy: -71.473 tors. eta vs tors. theta energy: -1.050 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: 5 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -812.854533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.854533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.854533 (E_RNA) where: Base-Base interactions energy: -413.390 where: short stacking energy: -200.169 Base-Backbone interact. energy: -4.368 local terms energy: -395.097087 where: bonds (distance) C4'-P energy: -114.486 bonds (distance) P-C4' energy: -134.134 flat angles C4'-P-C4' energy: -106.087 flat angles P-C4'-P energy: -50.008 tors. eta vs tors. theta energy: 9.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2673.246416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.246416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.246416 (E_RNA) where: Base-Base interactions energy: -1850.217 where: short stacking energy: -795.425 Base-Backbone interact. energy: 0.129 local terms energy: -823.158632 where: bonds (distance) C4'-P energy: -165.768 bonds (distance) P-C4' energy: -151.525 flat angles C4'-P-C4' energy: -152.157 flat angles P-C4'-P energy: -121.556 tors. eta vs tors. theta energy: -232.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2477.336414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.336414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.336414 (E_RNA) where: Base-Base interactions energy: -1689.913 where: short stacking energy: -739.744 Base-Backbone interact. energy: -2.348 local terms energy: -785.075127 where: bonds (distance) C4'-P energy: -145.938 bonds (distance) P-C4' energy: -140.809 flat angles C4'-P-C4' energy: -169.596 flat angles P-C4'-P energy: -105.898 tors. eta vs tors. theta energy: -222.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2360.013280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.013280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.013280 (E_RNA) where: Base-Base interactions energy: -1616.586 where: short stacking energy: -705.013 Base-Backbone interact. energy: -2.686 local terms energy: -740.741227 where: bonds (distance) C4'-P energy: -143.696 bonds (distance) P-C4' energy: -126.141 flat angles C4'-P-C4' energy: -170.931 flat angles P-C4'-P energy: -103.338 tors. eta vs tors. theta energy: -196.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2258.000726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.000726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.000726 (E_RNA) where: Base-Base interactions energy: -1557.534 where: short stacking energy: -664.273 Base-Backbone interact. energy: -4.057 local terms energy: -696.409902 where: bonds (distance) C4'-P energy: -131.554 bonds (distance) P-C4' energy: -126.372 flat angles C4'-P-C4' energy: -149.882 flat angles P-C4'-P energy: -105.431 tors. eta vs tors. theta energy: -183.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2100.783536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.783536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.783536 (E_RNA) where: Base-Base interactions energy: -1427.906 where: short stacking energy: -615.319 Base-Backbone interact. energy: -4.217 local terms energy: -668.660829 where: bonds (distance) C4'-P energy: -117.829 bonds (distance) P-C4' energy: -128.360 flat angles C4'-P-C4' energy: -154.001 flat angles P-C4'-P energy: -98.243 tors. eta vs tors. theta energy: -170.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1912.215753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.215753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.215753 (E_RNA) where: Base-Base interactions energy: -1306.619 where: short stacking energy: -558.868 Base-Backbone interact. energy: -2.435 local terms energy: -603.161675 where: bonds (distance) C4'-P energy: -99.754 bonds (distance) P-C4' energy: -127.673 flat angles C4'-P-C4' energy: -140.902 flat angles P-C4'-P energy: -88.985 tors. eta vs tors. theta energy: -145.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1634.152015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.152015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.152015 (E_RNA) where: Base-Base interactions energy: -1059.385 where: short stacking energy: -461.078 Base-Backbone interact. energy: -4.231 local terms energy: -570.536026 where: bonds (distance) C4'-P energy: -114.696 bonds (distance) P-C4' energy: -146.976 flat angles C4'-P-C4' energy: -136.869 flat angles P-C4'-P energy: -79.684 tors. eta vs tors. theta energy: -92.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1534.547947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.547947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.547947 (E_RNA) where: Base-Base interactions energy: -972.392 where: short stacking energy: -405.451 Base-Backbone interact. energy: 0.541 local terms energy: -562.697373 where: bonds (distance) C4'-P energy: -139.588 bonds (distance) P-C4' energy: -135.063 flat angles C4'-P-C4' energy: -117.031 flat angles P-C4'-P energy: -87.943 tors. eta vs tors. theta energy: -83.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -887.470958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.470958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.470958 (E_RNA) where: Base-Base interactions energy: -481.582 where: short stacking energy: -259.096 Base-Backbone interact. energy: 3.094 local terms energy: -408.983451 where: bonds (distance) C4'-P energy: -112.522 bonds (distance) P-C4' energy: -117.948 flat angles C4'-P-C4' energy: -110.565 flat angles P-C4'-P energy: -65.294 tors. eta vs tors. theta energy: -2.655 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: 5 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -796.921094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.921094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.921094 (E_RNA) where: Base-Base interactions energy: -362.630 where: short stacking energy: -213.040 Base-Backbone interact. energy: 0.337 local terms energy: -434.627923 where: bonds (distance) C4'-P energy: -135.676 bonds (distance) P-C4' energy: -127.984 flat angles C4'-P-C4' energy: -110.413 flat angles P-C4'-P energy: -57.098 tors. eta vs tors. theta energy: -3.456 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: 4 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2671.636412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.636412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.636412 (E_RNA) where: Base-Base interactions energy: -1865.548 where: short stacking energy: -793.881 Base-Backbone interact. energy: -4.943 local terms energy: -801.145345 where: bonds (distance) C4'-P energy: -138.727 bonds (distance) P-C4' energy: -150.059 flat angles C4'-P-C4' energy: -163.368 flat angles P-C4'-P energy: -112.255 tors. eta vs tors. theta energy: -236.737 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: 8 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2479.263072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.263072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.263072 (E_RNA) where: Base-Base interactions energy: -1699.463 where: short stacking energy: -757.136 Base-Backbone interact. energy: -1.751 local terms energy: -778.048827 where: bonds (distance) C4'-P energy: -139.084 bonds (distance) P-C4' energy: -149.072 flat angles C4'-P-C4' energy: -167.258 flat angles P-C4'-P energy: -107.831 tors. eta vs tors. theta energy: -214.803 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: 7 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2392.093530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.093530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.093530 (E_RNA) where: Base-Base interactions energy: -1632.912 where: short stacking energy: -689.323 Base-Backbone interact. energy: 1.132 local terms energy: -760.314153 where: bonds (distance) C4'-P energy: -137.662 bonds (distance) P-C4' energy: -164.883 flat angles C4'-P-C4' energy: -157.023 flat angles P-C4'-P energy: -102.833 tors. eta vs tors. theta energy: -197.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2222.856193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.856193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.856193 (E_RNA) where: Base-Base interactions energy: -1491.196 where: short stacking energy: -640.036 Base-Backbone interact. energy: -4.943 local terms energy: -726.717185 where: bonds (distance) C4'-P energy: -141.218 bonds (distance) P-C4' energy: -134.540 flat angles C4'-P-C4' energy: -168.279 flat angles P-C4'-P energy: -103.957 tors. eta vs tors. theta energy: -178.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2058.023178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.023178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.023178 (E_RNA) where: Base-Base interactions energy: -1382.904 where: short stacking energy: -610.095 Base-Backbone interact. energy: -3.273 local terms energy: -671.845981 where: bonds (distance) C4'-P energy: -123.524 bonds (distance) P-C4' energy: -128.428 flat angles C4'-P-C4' energy: -143.740 flat angles P-C4'-P energy: -109.793 tors. eta vs tors. theta energy: -166.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1937.591091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.591091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.591091 (E_RNA) where: Base-Base interactions energy: -1310.556 where: short stacking energy: -558.002 Base-Backbone interact. energy: -0.734 local terms energy: -626.301732 where: bonds (distance) C4'-P energy: -119.119 bonds (distance) P-C4' energy: -118.010 flat angles C4'-P-C4' energy: -143.491 flat angles P-C4'-P energy: -82.114 tors. eta vs tors. theta energy: -163.567 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: 7, replica: 2 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1669.032513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.032513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.032513 (E_RNA) where: Base-Base interactions energy: -1101.584 where: short stacking energy: -497.817 Base-Backbone interact. energy: -0.659 local terms energy: -566.790203 where: bonds (distance) C4'-P energy: -110.203 bonds (distance) P-C4' energy: -125.779 flat angles C4'-P-C4' energy: -138.327 flat angles P-C4'-P energy: -78.906 tors. eta vs tors. theta energy: -113.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1623.980073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.980073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.980073 (E_RNA) where: Base-Base interactions energy: -1095.736 where: short stacking energy: -462.473 Base-Backbone interact. energy: -0.394 local terms energy: -527.850215 where: bonds (distance) C4'-P energy: -107.868 bonds (distance) P-C4' energy: -138.179 flat angles C4'-P-C4' energy: -111.602 flat angles P-C4'-P energy: -72.631 tors. eta vs tors. theta energy: -97.570 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: 5 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -905.744805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.744805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.744805 (E_RNA) where: Base-Base interactions energy: -488.927 where: short stacking energy: -254.843 Base-Backbone interact. energy: 1.409 local terms energy: -418.226883 where: bonds (distance) C4'-P energy: -116.938 bonds (distance) P-C4' energy: -127.165 flat angles C4'-P-C4' energy: -104.325 flat angles P-C4'-P energy: -59.284 tors. eta vs tors. theta energy: -10.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -813.461642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.461642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.461642 (E_RNA) where: Base-Base interactions energy: -422.900 where: short stacking energy: -226.387 Base-Backbone interact. energy: -0.411 local terms energy: -390.150319 where: bonds (distance) C4'-P energy: -111.078 bonds (distance) P-C4' energy: -117.816 flat angles C4'-P-C4' energy: -111.570 flat angles P-C4'-P energy: -63.615 tors. eta vs tors. theta energy: 13.928 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: 4 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2643.892285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.892285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.892285 (E_RNA) where: Base-Base interactions energy: -1826.526 where: short stacking energy: -793.958 Base-Backbone interact. energy: -3.407 local terms energy: -813.959348 where: bonds (distance) C4'-P energy: -141.581 bonds (distance) P-C4' energy: -162.577 flat angles C4'-P-C4' energy: -164.901 flat angles P-C4'-P energy: -112.625 tors. eta vs tors. theta energy: -232.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2471.714355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.714355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.714355 (E_RNA) where: Base-Base interactions energy: -1688.013 where: short stacking energy: -739.873 Base-Backbone interact. energy: 1.267 local terms energy: -784.969132 where: bonds (distance) C4'-P energy: -133.951 bonds (distance) P-C4' energy: -156.174 flat angles C4'-P-C4' energy: -163.211 flat angles P-C4'-P energy: -120.058 tors. eta vs tors. theta energy: -211.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2400.412648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.412648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.412648 (E_RNA) where: Base-Base interactions energy: -1638.935 where: short stacking energy: -721.828 Base-Backbone interact. energy: -1.836 local terms energy: -759.641344 where: bonds (distance) C4'-P energy: -130.917 bonds (distance) P-C4' energy: -138.872 flat angles C4'-P-C4' energy: -175.978 flat angles P-C4'-P energy: -108.106 tors. eta vs tors. theta energy: -205.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2216.847017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.847017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.847017 (E_RNA) where: Base-Base interactions energy: -1530.534 where: short stacking energy: -671.869 Base-Backbone interact. energy: 7.385 local terms energy: -693.698477 where: bonds (distance) C4'-P energy: -124.343 bonds (distance) P-C4' energy: -138.634 flat angles C4'-P-C4' energy: -160.300 flat angles P-C4'-P energy: -98.763 tors. eta vs tors. theta energy: -171.657 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: 10 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2035.096356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.096356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.096356 (E_RNA) where: Base-Base interactions energy: -1375.150 where: short stacking energy: -582.835 Base-Backbone interact. energy: 0.516 local terms energy: -660.462066 where: bonds (distance) C4'-P energy: -132.813 bonds (distance) P-C4' energy: -136.937 flat angles C4'-P-C4' energy: -135.957 flat angles P-C4'-P energy: -98.660 tors. eta vs tors. theta energy: -156.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1929.065212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.065212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.065212 (E_RNA) where: Base-Base interactions energy: -1270.293 where: short stacking energy: -576.383 Base-Backbone interact. energy: -2.245 local terms energy: -656.527247 where: bonds (distance) C4'-P energy: -128.436 bonds (distance) P-C4' energy: -139.032 flat angles C4'-P-C4' energy: -143.173 flat angles P-C4'-P energy: -95.720 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: 2 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1671.852102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.852102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.852102 (E_RNA) where: Base-Base interactions energy: -1087.075 where: short stacking energy: -507.629 Base-Backbone interact. energy: -0.152 local terms energy: -584.625016 where: bonds (distance) C4'-P energy: -116.561 bonds (distance) P-C4' energy: -133.655 flat angles C4'-P-C4' energy: -143.193 flat angles P-C4'-P energy: -79.456 tors. eta vs tors. theta energy: -111.761 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: 8, replica: 6 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1574.040667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.040667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.040667 (E_RNA) where: Base-Base interactions energy: -1016.686 where: short stacking energy: -454.420 Base-Backbone interact. energy: -3.443 local terms energy: -553.911584 where: bonds (distance) C4'-P energy: -120.230 bonds (distance) P-C4' energy: -129.039 flat angles C4'-P-C4' energy: -125.938 flat angles P-C4'-P energy: -86.253 tors. eta vs tors. theta energy: -92.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -976.430432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.430432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.430432 (E_RNA) where: Base-Base interactions energy: -542.517 where: short stacking energy: -270.688 Base-Backbone interact. energy: -3.045 local terms energy: -430.869119 where: bonds (distance) C4'-P energy: -96.010 bonds (distance) P-C4' energy: -143.658 flat angles C4'-P-C4' energy: -122.417 flat angles P-C4'-P energy: -60.682 tors. eta vs tors. theta energy: -8.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -705.619549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.619549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.619549 (E_RNA) where: Base-Base interactions energy: -314.087 where: short stacking energy: -208.306 Base-Backbone interact. energy: -0.916 local terms energy: -390.615934 where: bonds (distance) C4'-P energy: -112.506 bonds (distance) P-C4' energy: -137.835 flat angles C4'-P-C4' energy: -89.850 flat angles P-C4'-P energy: -55.446 tors. eta vs tors. theta energy: 5.021 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: 4 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2647.674187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.674187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.674187 (E_RNA) where: Base-Base interactions energy: -1844.389 where: short stacking energy: -797.675 Base-Backbone interact. energy: -6.548 local terms energy: -796.737341 where: bonds (distance) C4'-P energy: -149.337 bonds (distance) P-C4' energy: -138.944 flat angles C4'-P-C4' energy: -175.435 flat angles P-C4'-P energy: -102.069 tors. eta vs tors. theta energy: -230.953 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: 8 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2469.731027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.731027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.731027 (E_RNA) where: Base-Base interactions energy: -1675.511 where: short stacking energy: -760.058 Base-Backbone interact. energy: -1.653 local terms energy: -792.567213 where: bonds (distance) C4'-P energy: -146.285 bonds (distance) P-C4' energy: -157.911 flat angles C4'-P-C4' energy: -165.169 flat angles P-C4'-P energy: -103.065 tors. eta vs tors. theta energy: -220.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2421.090396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.090396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.090396 (E_RNA) where: Base-Base interactions energy: -1680.390 where: short stacking energy: -708.271 Base-Backbone interact. energy: -2.142 local terms energy: -738.558726 where: bonds (distance) C4'-P energy: -144.758 bonds (distance) P-C4' energy: -133.167 flat angles C4'-P-C4' energy: -158.939 flat angles P-C4'-P energy: -100.392 tors. eta vs tors. theta energy: -201.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2232.871136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.871136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.871136 (E_RNA) where: Base-Base interactions energy: -1540.054 where: short stacking energy: -673.639 Base-Backbone interact. energy: 3.006 local terms energy: -695.822536 where: bonds (distance) C4'-P energy: -123.894 bonds (distance) P-C4' energy: -146.202 flat angles C4'-P-C4' energy: -141.602 flat angles P-C4'-P energy: -100.755 tors. eta vs tors. theta energy: -183.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2108.241948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.241948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.241948 (E_RNA) where: Base-Base interactions energy: -1444.795 where: short stacking energy: -622.809 Base-Backbone interact. energy: 1.606 local terms energy: -665.053781 where: bonds (distance) C4'-P energy: -133.383 bonds (distance) P-C4' energy: -134.515 flat angles C4'-P-C4' energy: -133.478 flat angles P-C4'-P energy: -88.826 tors. eta vs tors. theta energy: -174.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1955.531415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.531415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.531415 (E_RNA) where: Base-Base interactions energy: -1306.429 where: short stacking energy: -554.751 Base-Backbone interact. energy: 9.152 local terms energy: -658.254741 where: bonds (distance) C4'-P energy: -129.186 bonds (distance) P-C4' energy: -137.938 flat angles C4'-P-C4' energy: -144.169 flat angles P-C4'-P energy: -104.194 tors. eta vs tors. theta energy: -142.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1636.928406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.928406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.928406 (E_RNA) where: Base-Base interactions energy: -1087.097 where: short stacking energy: -471.671 Base-Backbone interact. energy: 1.550 local terms energy: -551.381516 where: bonds (distance) C4'-P energy: -122.836 bonds (distance) P-C4' energy: -135.777 flat angles C4'-P-C4' energy: -118.899 flat angles P-C4'-P energy: -71.880 tors. eta vs tors. theta energy: -101.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1550.140343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.140343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.140343 (E_RNA) where: Base-Base interactions energy: -1006.419 where: short stacking energy: -440.911 Base-Backbone interact. energy: -2.180 local terms energy: -541.541026 where: bonds (distance) C4'-P energy: -116.904 bonds (distance) P-C4' energy: -131.123 flat angles C4'-P-C4' energy: -125.625 flat angles P-C4'-P energy: -71.983 tors. eta vs tors. theta energy: -95.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -879.160496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.160496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.160496 (E_RNA) where: Base-Base interactions energy: -490.822 where: short stacking energy: -260.642 Base-Backbone interact. energy: -0.092 local terms energy: -388.247459 where: bonds (distance) C4'-P energy: -110.034 bonds (distance) P-C4' energy: -118.600 flat angles C4'-P-C4' energy: -97.398 flat angles P-C4'-P energy: -67.661 tors. eta vs tors. theta energy: 5.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -720.375286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.375286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.375286 (E_RNA) where: Base-Base interactions energy: -299.294 where: short stacking energy: -197.939 Base-Backbone interact. energy: 1.302 local terms energy: -422.383834 where: bonds (distance) C4'-P energy: -130.258 bonds (distance) P-C4' energy: -118.777 flat angles C4'-P-C4' energy: -117.561 flat angles P-C4'-P energy: -60.295 tors. eta vs tors. theta energy: 4.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2644.787684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.787684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.787684 (E_RNA) where: Base-Base interactions energy: -1852.450 where: short stacking energy: -779.687 Base-Backbone interact. energy: -1.144 local terms energy: -791.192936 where: bonds (distance) C4'-P energy: -141.883 bonds (distance) P-C4' energy: -159.202 flat angles C4'-P-C4' energy: -168.316 flat angles P-C4'-P energy: -98.228 tors. eta vs tors. theta energy: -223.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2494.136781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.136781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.136781 (E_RNA) where: Base-Base interactions energy: -1707.348 where: short stacking energy: -771.456 Base-Backbone interact. energy: 5.697 local terms energy: -792.485856 where: bonds (distance) C4'-P energy: -137.554 bonds (distance) P-C4' energy: -161.865 flat angles C4'-P-C4' energy: -161.456 flat angles P-C4'-P energy: -102.820 tors. eta vs tors. theta energy: -228.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2436.812747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.812747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.812747 (E_RNA) where: Base-Base interactions energy: -1678.760 where: short stacking energy: -740.126 Base-Backbone interact. energy: 0.507 local terms energy: -758.559251 where: bonds (distance) C4'-P energy: -131.814 bonds (distance) P-C4' energy: -157.715 flat angles C4'-P-C4' energy: -167.009 flat angles P-C4'-P energy: -97.942 tors. eta vs tors. theta energy: -204.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2295.596020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.596020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.596020 (E_RNA) where: Base-Base interactions energy: -1578.972 where: short stacking energy: -690.625 Base-Backbone interact. energy: -0.222 local terms energy: -716.401879 where: bonds (distance) C4'-P energy: -132.314 bonds (distance) P-C4' energy: -139.795 flat angles C4'-P-C4' energy: -156.209 flat angles P-C4'-P energy: -91.648 tors. eta vs tors. theta energy: -196.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2082.094776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.094776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.094776 (E_RNA) where: Base-Base interactions energy: -1388.434 where: short stacking energy: -617.409 Base-Backbone interact. energy: -1.856 local terms energy: -691.804896 where: bonds (distance) C4'-P energy: -132.097 bonds (distance) P-C4' energy: -157.090 flat angles C4'-P-C4' energy: -140.212 flat angles P-C4'-P energy: -103.138 tors. eta vs tors. theta energy: -159.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1943.356765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.356765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.356765 (E_RNA) where: Base-Base interactions energy: -1304.468 where: short stacking energy: -562.248 Base-Backbone interact. energy: -2.243 local terms energy: -636.645174 where: bonds (distance) C4'-P energy: -118.583 bonds (distance) P-C4' energy: -123.601 flat angles C4'-P-C4' energy: -141.058 flat angles P-C4'-P energy: -94.125 tors. eta vs tors. theta energy: -159.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1626.635585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.635585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.635585 (E_RNA) where: Base-Base interactions energy: -1071.899 where: short stacking energy: -455.613 Base-Backbone interact. energy: -1.691 local terms energy: -553.045736 where: bonds (distance) C4'-P energy: -108.880 bonds (distance) P-C4' energy: -121.660 flat angles C4'-P-C4' energy: -151.744 flat angles P-C4'-P energy: -76.273 tors. eta vs tors. theta energy: -94.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1534.741457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.741457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.741457 (E_RNA) where: Base-Base interactions energy: -1000.917 where: short stacking energy: -414.081 Base-Backbone interact. energy: -2.555 local terms energy: -531.268893 where: bonds (distance) C4'-P energy: -125.901 bonds (distance) P-C4' energy: -104.340 flat angles C4'-P-C4' energy: -121.324 flat angles P-C4'-P energy: -95.277 tors. eta vs tors. theta energy: -84.427 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: 5 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -965.562932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.562932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.562932 (E_RNA) where: Base-Base interactions energy: -541.814 where: short stacking energy: -298.130 Base-Backbone interact. energy: 1.692 local terms energy: -425.441178 where: bonds (distance) C4'-P energy: -119.905 bonds (distance) P-C4' energy: -115.960 flat angles C4'-P-C4' energy: -104.013 flat angles P-C4'-P energy: -55.878 tors. eta vs tors. theta energy: -29.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -662.275203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.275203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.275203 (E_RNA) where: Base-Base interactions energy: -297.517 where: short stacking energy: -196.554 Base-Backbone interact. energy: 3.235 local terms energy: -367.993152 where: bonds (distance) C4'-P energy: -104.073 bonds (distance) P-C4' energy: -126.085 flat angles C4'-P-C4' energy: -114.058 flat angles P-C4'-P energy: -45.139 tors. eta vs tors. theta energy: 21.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2641.815675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.815675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.815675 (E_RNA) where: Base-Base interactions energy: -1817.071 where: short stacking energy: -774.012 Base-Backbone interact. energy: 0.463 local terms energy: -825.207810 where: bonds (distance) C4'-P energy: -164.448 bonds (distance) P-C4' energy: -151.422 flat angles C4'-P-C4' energy: -172.529 flat angles P-C4'-P energy: -113.850 tors. eta vs tors. theta energy: -222.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2477.234054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.234054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.234054 (E_RNA) where: Base-Base interactions energy: -1694.985 where: short stacking energy: -774.209 Base-Backbone interact. energy: 2.330 local terms energy: -784.578655 where: bonds (distance) C4'-P energy: -151.058 bonds (distance) P-C4' energy: -144.406 flat angles C4'-P-C4' energy: -140.307 flat angles P-C4'-P energy: -109.601 tors. eta vs tors. theta energy: -239.207 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: 3, replica: 7 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2411.793431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.793431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.793431 (E_RNA) where: Base-Base interactions energy: -1656.640 where: short stacking energy: -741.545 Base-Backbone interact. energy: -3.726 local terms energy: -751.427681 where: bonds (distance) C4'-P energy: -138.859 bonds (distance) P-C4' energy: -151.158 flat angles C4'-P-C4' energy: -154.845 flat angles P-C4'-P energy: -107.891 tors. eta vs tors. theta energy: -198.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2247.324879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.324879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.324879 (E_RNA) where: Base-Base interactions energy: -1546.412 where: short stacking energy: -670.569 Base-Backbone interact. energy: -0.628 local terms energy: -700.284980 where: bonds (distance) C4'-P energy: -143.850 bonds (distance) P-C4' energy: -122.591 flat angles C4'-P-C4' energy: -158.636 flat angles P-C4'-P energy: -94.490 tors. eta vs tors. theta energy: -180.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2084.742001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.742001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.742001 (E_RNA) where: Base-Base interactions energy: -1396.591 where: short stacking energy: -618.434 Base-Backbone interact. energy: -1.276 local terms energy: -686.874757 where: bonds (distance) C4'-P energy: -132.778 bonds (distance) P-C4' energy: -136.515 flat angles C4'-P-C4' energy: -147.741 flat angles P-C4'-P energy: -102.804 tors. eta vs tors. theta energy: -167.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1945.780787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.780787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.780787 (E_RNA) where: Base-Base interactions energy: -1281.542 where: short stacking energy: -537.155 Base-Backbone interact. energy: 2.692 local terms energy: -666.931367 where: bonds (distance) C4'-P energy: -127.127 bonds (distance) P-C4' energy: -147.939 flat angles C4'-P-C4' energy: -154.284 flat angles P-C4'-P energy: -88.265 tors. eta vs tors. theta energy: -149.316 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: 2 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1657.498878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.498878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.498878 (E_RNA) where: Base-Base interactions energy: -1089.777 where: short stacking energy: -475.417 Base-Backbone interact. energy: 2.135 local terms energy: -569.856956 where: bonds (distance) C4'-P energy: -122.146 bonds (distance) P-C4' energy: -131.833 flat angles C4'-P-C4' energy: -130.014 flat angles P-C4'-P energy: -82.116 tors. eta vs tors. theta energy: -103.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1634.746937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.746937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.746937 (E_RNA) where: Base-Base interactions energy: -1097.221 where: short stacking energy: -480.064 Base-Backbone interact. energy: 0.429 local terms energy: -537.954992 where: bonds (distance) C4'-P energy: -113.196 bonds (distance) P-C4' energy: -131.317 flat angles C4'-P-C4' energy: -110.632 flat angles P-C4'-P energy: -76.525 tors. eta vs tors. theta energy: -106.285 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: 5 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -923.086542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.086542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.086542 (E_RNA) where: Base-Base interactions energy: -509.392 where: short stacking energy: -276.670 Base-Backbone interact. energy: -3.182 local terms energy: -410.512582 where: bonds (distance) C4'-P energy: -92.075 bonds (distance) P-C4' energy: -119.827 flat angles C4'-P-C4' energy: -119.213 flat angles P-C4'-P energy: -61.324 tors. eta vs tors. theta energy: -18.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -667.246979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.246979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.246979 (E_RNA) where: Base-Base interactions energy: -284.258 where: short stacking energy: -173.409 Base-Backbone interact. energy: -3.393 local terms energy: -379.596763 where: bonds (distance) C4'-P energy: -114.468 bonds (distance) P-C4' energy: -101.017 flat angles C4'-P-C4' energy: -119.820 flat angles P-C4'-P energy: -58.971 tors. eta vs tors. theta energy: 14.678 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: 4 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2648.738243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.738243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.738243 (E_RNA) where: Base-Base interactions energy: -1814.574 where: short stacking energy: -771.993 Base-Backbone interact. energy: -1.354 local terms energy: -832.809666 where: bonds (distance) C4'-P energy: -152.571 bonds (distance) P-C4' energy: -149.302 flat angles C4'-P-C4' energy: -169.121 flat angles P-C4'-P energy: -134.513 tors. eta vs tors. theta energy: -227.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2499.003121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.003121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.003121 (E_RNA) where: Base-Base interactions energy: -1703.773 where: short stacking energy: -735.127 Base-Backbone interact. energy: -2.216 local terms energy: -793.014067 where: bonds (distance) C4'-P energy: -141.099 bonds (distance) P-C4' energy: -148.565 flat angles C4'-P-C4' energy: -161.839 flat angles P-C4'-P energy: -115.548 tors. eta vs tors. theta energy: -225.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2351.285229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.285229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.285229 (E_RNA) where: Base-Base interactions energy: -1601.675 where: short stacking energy: -705.599 Base-Backbone interact. energy: -3.299 local terms energy: -746.311498 where: bonds (distance) C4'-P energy: -132.931 bonds (distance) P-C4' energy: -153.043 flat angles C4'-P-C4' energy: -163.322 flat angles P-C4'-P energy: -104.418 tors. eta vs tors. theta energy: -192.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2207.714280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.714280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.714280 (E_RNA) where: Base-Base interactions energy: -1496.997 where: short stacking energy: -658.070 Base-Backbone interact. energy: 0.279 local terms energy: -710.996917 where: bonds (distance) C4'-P energy: -136.957 bonds (distance) P-C4' energy: -138.047 flat angles C4'-P-C4' energy: -149.039 flat angles P-C4'-P energy: -96.093 tors. eta vs tors. theta energy: -190.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2067.918346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.918346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.918346 (E_RNA) where: Base-Base interactions energy: -1376.228 where: short stacking energy: -594.050 Base-Backbone interact. energy: -0.741 local terms energy: -690.948669 where: bonds (distance) C4'-P energy: -130.603 bonds (distance) P-C4' energy: -127.294 flat angles C4'-P-C4' energy: -151.342 flat angles P-C4'-P energy: -109.950 tors. eta vs tors. theta energy: -171.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1938.841187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.841187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.841187 (E_RNA) where: Base-Base interactions energy: -1333.795 where: short stacking energy: -582.666 Base-Backbone interact. energy: -0.989 local terms energy: -604.056936 where: bonds (distance) C4'-P energy: -118.929 bonds (distance) P-C4' energy: -131.464 flat angles C4'-P-C4' energy: -136.602 flat angles P-C4'-P energy: -72.898 tors. eta vs tors. theta energy: -144.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1760.986349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.986349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.986349 (E_RNA) where: Base-Base interactions energy: -1144.726 where: short stacking energy: -494.242 Base-Backbone interact. energy: 0.385 local terms energy: -616.645102 where: bonds (distance) C4'-P energy: -125.096 bonds (distance) P-C4' energy: -130.280 flat angles C4'-P-C4' energy: -136.929 flat angles P-C4'-P energy: -90.283 tors. eta vs tors. theta energy: -134.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1569.698718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.698718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.698718 (E_RNA) where: Base-Base interactions energy: -1036.427 where: short stacking energy: -449.186 Base-Backbone interact. energy: -3.561 local terms energy: -529.710683 where: bonds (distance) C4'-P energy: -123.323 bonds (distance) P-C4' energy: -122.503 flat angles C4'-P-C4' energy: -130.968 flat angles P-C4'-P energy: -56.644 tors. eta vs tors. theta energy: -96.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -973.251034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.251034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.251034 (E_RNA) where: Base-Base interactions energy: -524.072 where: short stacking energy: -284.988 Base-Backbone interact. energy: 1.900 local terms energy: -451.078349 where: bonds (distance) C4'-P energy: -123.689 bonds (distance) P-C4' energy: -118.352 flat angles C4'-P-C4' energy: -112.911 flat angles P-C4'-P energy: -58.364 tors. eta vs tors. theta energy: -37.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -644.475279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.475279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.475279 (E_RNA) where: Base-Base interactions energy: -310.585 where: short stacking energy: -200.923 Base-Backbone interact. energy: 4.546 local terms energy: -338.436168 where: bonds (distance) C4'-P energy: -95.359 bonds (distance) P-C4' energy: -127.277 flat angles C4'-P-C4' energy: -90.395 flat angles P-C4'-P energy: -53.409 tors. eta vs tors. theta energy: 28.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2668.339639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.339639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.339639 (E_RNA) where: Base-Base interactions energy: -1852.968 where: short stacking energy: -789.747 Base-Backbone interact. energy: -4.103 local terms energy: -811.269555 where: bonds (distance) C4'-P energy: -154.164 bonds (distance) P-C4' energy: -144.375 flat angles C4'-P-C4' energy: -169.281 flat angles P-C4'-P energy: -111.498 tors. eta vs tors. theta energy: -231.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2486.520997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.520997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.520997 (E_RNA) where: Base-Base interactions energy: -1688.175 where: short stacking energy: -722.130 Base-Backbone interact. energy: 0.577 local terms energy: -798.922248 where: bonds (distance) C4'-P energy: -146.221 bonds (distance) P-C4' energy: -142.408 flat angles C4'-P-C4' energy: -169.380 flat angles P-C4'-P energy: -117.448 tors. eta vs tors. theta energy: -223.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2386.164717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.164717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.164717 (E_RNA) where: Base-Base interactions energy: -1608.928 where: short stacking energy: -712.585 Base-Backbone interact. energy: 1.975 local terms energy: -779.211448 where: bonds (distance) C4'-P energy: -146.278 bonds (distance) P-C4' energy: -145.825 flat angles C4'-P-C4' energy: -164.626 flat angles P-C4'-P energy: -115.110 tors. eta vs tors. theta energy: -207.372 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: 1 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2287.215387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.215387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.215387 (E_RNA) where: Base-Base interactions energy: -1555.748 where: short stacking energy: -689.457 Base-Backbone interact. energy: -4.130 local terms energy: -727.337105 where: bonds (distance) C4'-P energy: -135.785 bonds (distance) P-C4' energy: -150.569 flat angles C4'-P-C4' energy: -149.804 flat angles P-C4'-P energy: -92.240 tors. eta vs tors. theta energy: -198.941 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: 10 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2061.217072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.217072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.217072 (E_RNA) where: Base-Base interactions energy: -1364.956 where: short stacking energy: -621.415 Base-Backbone interact. energy: -1.686 local terms energy: -694.575209 where: bonds (distance) C4'-P energy: -135.354 bonds (distance) P-C4' energy: -118.184 flat angles C4'-P-C4' energy: -159.915 flat angles P-C4'-P energy: -94.550 tors. eta vs tors. theta energy: -186.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1929.511776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.511776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.511776 (E_RNA) where: Base-Base interactions energy: -1293.340 where: short stacking energy: -554.758 Base-Backbone interact. energy: -6.003 local terms energy: -630.169090 where: bonds (distance) C4'-P energy: -123.246 bonds (distance) P-C4' energy: -146.233 flat angles C4'-P-C4' energy: -118.686 flat angles P-C4'-P energy: -106.775 tors. eta vs tors. theta energy: -135.228 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: 7, replica: 2 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1720.337176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.337176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.337176 (E_RNA) where: Base-Base interactions energy: -1122.768 where: short stacking energy: -475.808 Base-Backbone interact. energy: 0.948 local terms energy: -598.517394 where: bonds (distance) C4'-P energy: -136.334 bonds (distance) P-C4' energy: -142.602 flat angles C4'-P-C4' energy: -130.498 flat angles P-C4'-P energy: -76.348 tors. eta vs tors. theta energy: -112.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1569.696427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.696427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.696427 (E_RNA) where: Base-Base interactions energy: -1005.600 where: short stacking energy: -439.582 Base-Backbone interact. energy: 2.716 local terms energy: -566.812944 where: bonds (distance) C4'-P energy: -138.236 bonds (distance) P-C4' energy: -123.408 flat angles C4'-P-C4' energy: -104.845 flat angles P-C4'-P energy: -105.472 tors. eta vs tors. theta energy: -94.852 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: 5 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -921.878237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.878237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.878237 (E_RNA) where: Base-Base interactions energy: -491.478 where: short stacking energy: -278.175 Base-Backbone interact. energy: -0.312 local terms energy: -430.087582 where: bonds (distance) C4'-P energy: -116.987 bonds (distance) P-C4' energy: -118.199 flat angles C4'-P-C4' energy: -122.373 flat angles P-C4'-P energy: -46.245 tors. eta vs tors. theta energy: -26.283 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: 9 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -649.085628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.085628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.085628 (E_RNA) where: Base-Base interactions energy: -261.634 where: short stacking energy: -170.724 Base-Backbone interact. energy: -3.284 local terms energy: -384.167178 where: bonds (distance) C4'-P energy: -124.980 bonds (distance) P-C4' energy: -103.207 flat angles C4'-P-C4' energy: -88.368 flat angles P-C4'-P energy: -73.711 tors. eta vs tors. theta energy: 6.099 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: 4 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2662.046234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.046234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.046234 (E_RNA) where: Base-Base interactions energy: -1855.572 where: short stacking energy: -783.748 Base-Backbone interact. energy: -2.208 local terms energy: -804.266588 where: bonds (distance) C4'-P energy: -156.108 bonds (distance) P-C4' energy: -151.242 flat angles C4'-P-C4' energy: -164.014 flat angles P-C4'-P energy: -104.177 tors. eta vs tors. theta energy: -228.724 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: 8 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2533.735372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.735372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.735372 (E_RNA) where: Base-Base interactions energy: -1720.692 where: short stacking energy: -731.605 Base-Backbone interact. energy: -1.830 local terms energy: -811.213235 where: bonds (distance) C4'-P energy: -146.870 bonds (distance) P-C4' energy: -158.296 flat angles C4'-P-C4' energy: -160.444 flat angles P-C4'-P energy: -115.964 tors. eta vs tors. theta energy: -229.639 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: 303 Temperature: 1.000000 Total energy: -2382.517087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.517087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.517087 (E_RNA) where: Base-Base interactions energy: -1639.152 where: short stacking energy: -715.731 Base-Backbone interact. energy: -1.145 local terms energy: -742.219945 where: bonds (distance) C4'-P energy: -135.258 bonds (distance) P-C4' energy: -135.115 flat angles C4'-P-C4' energy: -151.397 flat angles P-C4'-P energy: -112.350 tors. eta vs tors. theta energy: -208.100 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: 4, replica: 1 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2320.237219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.237219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.237219 (E_RNA) where: Base-Base interactions energy: -1587.359 where: short stacking energy: -702.867 Base-Backbone interact. energy: -0.274 local terms energy: -732.603772 where: bonds (distance) C4'-P energy: -142.127 bonds (distance) P-C4' energy: -137.104 flat angles C4'-P-C4' energy: -152.349 flat angles P-C4'-P energy: -101.112 tors. eta vs tors. theta energy: -199.912 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: 10 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2016.468971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.468971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.468971 (E_RNA) where: Base-Base interactions energy: -1350.159 where: short stacking energy: -598.908 Base-Backbone interact. energy: -1.561 local terms energy: -664.748422 where: bonds (distance) C4'-P energy: -132.603 bonds (distance) P-C4' energy: -126.078 flat angles C4'-P-C4' energy: -151.047 flat angles P-C4'-P energy: -87.998 tors. eta vs tors. theta energy: -167.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1844.414643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.414643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.414643 (E_RNA) where: Base-Base interactions energy: -1224.598 where: short stacking energy: -513.607 Base-Backbone interact. energy: 0.374 local terms energy: -620.190706 where: bonds (distance) C4'-P energy: -135.701 bonds (distance) P-C4' energy: -137.552 flat angles C4'-P-C4' energy: -126.441 flat angles P-C4'-P energy: -96.807 tors. eta vs tors. theta energy: -123.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1652.659060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.659060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.659060 (E_RNA) where: Base-Base interactions energy: -1064.896 where: short stacking energy: -461.598 Base-Backbone interact. energy: -0.517 local terms energy: -587.245631 where: bonds (distance) C4'-P energy: -117.322 bonds (distance) P-C4' energy: -122.861 flat angles C4'-P-C4' energy: -158.095 flat angles P-C4'-P energy: -83.924 tors. eta vs tors. theta energy: -105.044 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: 8, replica: 6 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1586.986819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.986819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.986819 (E_RNA) where: Base-Base interactions energy: -1034.398 where: short stacking energy: -467.553 Base-Backbone interact. energy: -5.169 local terms energy: -547.420135 where: bonds (distance) C4'-P energy: -114.282 bonds (distance) P-C4' energy: -131.732 flat angles C4'-P-C4' energy: -129.562 flat angles P-C4'-P energy: -70.003 tors. eta vs tors. theta energy: -101.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -948.305143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.305143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.305143 (E_RNA) where: Base-Base interactions energy: -509.938 where: short stacking energy: -293.219 Base-Backbone interact. energy: 2.875 local terms energy: -441.241822 where: bonds (distance) C4'-P energy: -128.577 bonds (distance) P-C4' energy: -120.434 flat angles C4'-P-C4' energy: -112.280 flat angles P-C4'-P energy: -63.052 tors. eta vs tors. theta energy: -16.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -697.627786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.627786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.627786 (E_RNA) where: Base-Base interactions energy: -313.616 where: short stacking energy: -202.623 Base-Backbone interact. energy: -1.941 local terms energy: -382.071610 where: bonds (distance) C4'-P energy: -114.616 bonds (distance) P-C4' energy: -102.013 flat angles C4'-P-C4' energy: -98.556 flat angles P-C4'-P energy: -70.652 tors. eta vs tors. theta energy: 3.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2650.256803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.256803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.256803 (E_RNA) where: Base-Base interactions energy: -1851.455 where: short stacking energy: -801.605 Base-Backbone interact. energy: -0.922 local terms energy: -797.879962 where: bonds (distance) C4'-P energy: -146.107 bonds (distance) P-C4' energy: -149.445 flat angles C4'-P-C4' energy: -161.037 flat angles P-C4'-P energy: -121.770 tors. eta vs tors. theta energy: -219.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2528.123145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.123145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.123145 (E_RNA) where: Base-Base interactions energy: -1711.359 where: short stacking energy: -759.240 Base-Backbone interact. energy: -1.942 local terms energy: -814.822151 where: bonds (distance) C4'-P energy: -149.516 bonds (distance) P-C4' energy: -165.882 flat angles C4'-P-C4' energy: -160.123 flat angles P-C4'-P energy: -111.203 tors. eta vs tors. theta energy: -228.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2374.930754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.930754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.930754 (E_RNA) where: Base-Base interactions energy: -1630.179 where: short stacking energy: -708.109 Base-Backbone interact. energy: 1.945 local terms energy: -746.696880 where: bonds (distance) C4'-P energy: -125.808 bonds (distance) P-C4' energy: -142.114 flat angles C4'-P-C4' energy: -164.448 flat angles P-C4'-P energy: -97.414 tors. eta vs tors. theta energy: -216.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2242.070457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.070457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.070457 (E_RNA) where: Base-Base interactions energy: -1478.715 where: short stacking energy: -661.795 Base-Backbone interact. energy: -2.533 local terms energy: -760.822173 where: bonds (distance) C4'-P energy: -137.588 bonds (distance) P-C4' energy: -140.116 flat angles C4'-P-C4' energy: -165.147 flat angles P-C4'-P energy: -114.279 tors. eta vs tors. theta energy: -203.692 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: 10 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2041.537799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.537799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.537799 (E_RNA) where: Base-Base interactions energy: -1373.152 where: short stacking energy: -617.218 Base-Backbone interact. energy: -2.085 local terms energy: -666.301647 where: bonds (distance) C4'-P energy: -133.452 bonds (distance) P-C4' energy: -150.884 flat angles C4'-P-C4' energy: -147.301 flat angles P-C4'-P energy: -75.496 tors. eta vs tors. theta energy: -159.168 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: 3 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1842.258743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.258743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.258743 (E_RNA) where: Base-Base interactions energy: -1197.402 where: short stacking energy: -535.231 Base-Backbone interact. energy: 4.630 local terms energy: -649.486688 where: bonds (distance) C4'-P energy: -124.626 bonds (distance) P-C4' energy: -147.176 flat angles C4'-P-C4' energy: -150.481 flat angles P-C4'-P energy: -88.759 tors. eta vs tors. theta energy: -138.446 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: 2 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1719.656054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.656054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.656054 (E_RNA) where: Base-Base interactions energy: -1147.360 where: short stacking energy: -504.752 Base-Backbone interact. energy: 0.709 local terms energy: -573.005496 where: bonds (distance) C4'-P energy: -137.076 bonds (distance) P-C4' energy: -126.443 flat angles C4'-P-C4' energy: -123.087 flat angles P-C4'-P energy: -68.698 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: 8, replica: 6 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1573.736880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.736880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.736880 (E_RNA) where: Base-Base interactions energy: -1033.513 where: short stacking energy: -461.238 Base-Backbone interact. energy: 1.290 local terms energy: -541.513353 where: bonds (distance) C4'-P energy: -122.261 bonds (distance) P-C4' energy: -130.447 flat angles C4'-P-C4' energy: -137.097 flat angles P-C4'-P energy: -60.270 tors. eta vs tors. theta energy: -91.439 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: 5 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -856.689772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.689772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.689772 (E_RNA) where: Base-Base interactions energy: -454.400 where: short stacking energy: -246.470 Base-Backbone interact. energy: -2.984 local terms energy: -399.305321 where: bonds (distance) C4'-P energy: -109.053 bonds (distance) P-C4' energy: -139.938 flat angles C4'-P-C4' energy: -86.251 flat angles P-C4'-P energy: -76.181 tors. eta vs tors. theta energy: 12.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -687.223576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.223576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.223576 (E_RNA) where: Base-Base interactions energy: -323.725 where: short stacking energy: -233.102 Base-Backbone interact. energy: 2.411 local terms energy: -365.910088 where: bonds (distance) C4'-P energy: -120.431 bonds (distance) P-C4' energy: -135.292 flat angles C4'-P-C4' energy: -91.503 flat angles P-C4'-P energy: -30.703 tors. eta vs tors. theta energy: 12.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2652.922497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.922497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.922497 (E_RNA) where: Base-Base interactions energy: -1855.261 where: short stacking energy: -796.040 Base-Backbone interact. energy: -6.498 local terms energy: -791.163262 where: bonds (distance) C4'-P energy: -146.022 bonds (distance) P-C4' energy: -147.588 flat angles C4'-P-C4' energy: -162.644 flat angles P-C4'-P energy: -112.619 tors. eta vs tors. theta energy: -222.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2542.125014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.125014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.125014 (E_RNA) where: Base-Base interactions energy: -1722.023 where: short stacking energy: -728.206 Base-Backbone interact. energy: -2.197 local terms energy: -817.904671 where: bonds (distance) C4'-P energy: -149.333 bonds (distance) P-C4' energy: -170.289 flat angles C4'-P-C4' energy: -174.270 flat angles P-C4'-P energy: -98.705 tors. eta vs tors. theta energy: -225.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2421.490210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.490210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.490210 (E_RNA) where: Base-Base interactions energy: -1661.794 where: short stacking energy: -725.916 Base-Backbone interact. energy: -2.403 local terms energy: -757.293206 where: bonds (distance) C4'-P energy: -128.842 bonds (distance) P-C4' energy: -155.534 flat angles C4'-P-C4' energy: -161.721 flat angles P-C4'-P energy: -100.352 tors. eta vs tors. theta energy: -210.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2245.051625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.051625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.051625 (E_RNA) where: Base-Base interactions energy: -1561.217 where: short stacking energy: -694.384 Base-Backbone interact. energy: -0.582 local terms energy: -683.251832 where: bonds (distance) C4'-P energy: -120.246 bonds (distance) P-C4' energy: -123.230 flat angles C4'-P-C4' energy: -161.113 flat angles P-C4'-P energy: -101.762 tors. eta vs tors. theta energy: -176.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2060.868455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.868455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.868455 (E_RNA) where: Base-Base interactions energy: -1397.523 where: short stacking energy: -606.639 Base-Backbone interact. energy: -0.025 local terms energy: -663.320249 where: bonds (distance) C4'-P energy: -114.386 bonds (distance) P-C4' energy: -131.291 flat angles C4'-P-C4' energy: -149.427 flat angles P-C4'-P energy: -105.010 tors. eta vs tors. theta energy: -163.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1869.388369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.388369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.388369 (E_RNA) where: Base-Base interactions energy: -1223.238 where: short stacking energy: -537.315 Base-Backbone interact. energy: -2.180 local terms energy: -643.969773 where: bonds (distance) C4'-P energy: -131.119 bonds (distance) P-C4' energy: -127.835 flat angles C4'-P-C4' energy: -140.988 flat angles P-C4'-P energy: -96.280 tors. eta vs tors. theta energy: -147.748 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: 2 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1678.717753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.717753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.717753 (E_RNA) where: Base-Base interactions energy: -1124.659 where: short stacking energy: -485.430 Base-Backbone interact. energy: 0.672 local terms energy: -554.730289 where: bonds (distance) C4'-P energy: -115.044 bonds (distance) P-C4' energy: -148.960 flat angles C4'-P-C4' energy: -130.108 flat angles P-C4'-P energy: -60.995 tors. eta vs tors. theta energy: -99.623 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: 305 Temperature: 1.250000 Total energy: -1585.932287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.932287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.932287 (E_RNA) where: Base-Base interactions energy: -1045.751 where: short stacking energy: -436.994 Base-Backbone interact. energy: -5.177 local terms energy: -535.003949 where: bonds (distance) C4'-P energy: -103.783 bonds (distance) P-C4' energy: -111.901 flat angles C4'-P-C4' energy: -129.081 flat angles P-C4'-P energy: -80.314 tors. eta vs tors. theta energy: -109.926 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: 5 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -947.011239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.011239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.011239 (E_RNA) where: Base-Base interactions energy: -511.078 where: short stacking energy: -257.029 Base-Backbone interact. energy: 5.243 local terms energy: -441.175722 where: bonds (distance) C4'-P energy: -128.907 bonds (distance) P-C4' energy: -126.159 flat angles C4'-P-C4' energy: -117.400 flat angles P-C4'-P energy: -49.480 tors. eta vs tors. theta energy: -19.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -675.278535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.278535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.278535 (E_RNA) where: Base-Base interactions energy: -268.625 where: short stacking energy: -162.326 Base-Backbone interact. energy: 7.861 local terms energy: -414.514526 where: bonds (distance) C4'-P energy: -119.224 bonds (distance) P-C4' energy: -126.896 flat angles C4'-P-C4' energy: -118.865 flat angles P-C4'-P energy: -54.271 tors. eta vs tors. theta energy: 4.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2658.546068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.546068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.546068 (E_RNA) where: Base-Base interactions energy: -1833.717 where: short stacking energy: -779.383 Base-Backbone interact. energy: -1.613 local terms energy: -823.216421 where: bonds (distance) C4'-P energy: -151.239 bonds (distance) P-C4' energy: -139.322 flat angles C4'-P-C4' energy: -168.721 flat angles P-C4'-P energy: -128.810 tors. eta vs tors. theta energy: -235.124 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: 8 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2515.187325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.187325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.187325 (E_RNA) where: Base-Base interactions energy: -1724.234 where: short stacking energy: -747.175 Base-Backbone interact. energy: -1.822 local terms energy: -789.131546 where: bonds (distance) C4'-P energy: -134.037 bonds (distance) P-C4' energy: -144.852 flat angles C4'-P-C4' energy: -177.553 flat angles P-C4'-P energy: -100.796 tors. eta vs tors. theta energy: -231.893 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: 7 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2394.740063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.740063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.740063 (E_RNA) where: Base-Base interactions energy: -1636.449 where: short stacking energy: -714.770 Base-Backbone interact. energy: -1.714 local terms energy: -756.577029 where: bonds (distance) C4'-P energy: -144.190 bonds (distance) P-C4' energy: -142.241 flat angles C4'-P-C4' energy: -147.884 flat angles P-C4'-P energy: -105.410 tors. eta vs tors. theta energy: -216.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2244.876638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.876638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.876638 (E_RNA) where: Base-Base interactions energy: -1518.554 where: short stacking energy: -670.209 Base-Backbone interact. energy: 1.477 local terms energy: -727.799273 where: bonds (distance) C4'-P energy: -133.476 bonds (distance) P-C4' energy: -131.478 flat angles C4'-P-C4' energy: -169.981 flat angles P-C4'-P energy: -104.104 tors. eta vs tors. theta energy: -188.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2104.384484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.384484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.384484 (E_RNA) where: Base-Base interactions energy: -1402.559 where: short stacking energy: -615.340 Base-Backbone interact. energy: -1.613 local terms energy: -700.211567 where: bonds (distance) C4'-P energy: -118.963 bonds (distance) P-C4' energy: -150.379 flat angles C4'-P-C4' energy: -148.423 flat angles P-C4'-P energy: -112.456 tors. eta vs tors. theta energy: -169.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1875.073168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.073168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.073168 (E_RNA) where: Base-Base interactions energy: -1223.610 where: short stacking energy: -502.893 Base-Backbone interact. energy: -1.216 local terms energy: -650.247622 where: bonds (distance) C4'-P energy: -124.854 bonds (distance) P-C4' energy: -141.158 flat angles C4'-P-C4' energy: -144.201 flat angles P-C4'-P energy: -92.810 tors. eta vs tors. theta energy: -147.224 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: 2 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1674.820750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.820750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.820750 (E_RNA) where: Base-Base interactions energy: -1132.858 where: short stacking energy: -486.708 Base-Backbone interact. energy: 0.624 local terms energy: -542.587024 where: bonds (distance) C4'-P energy: -102.689 bonds (distance) P-C4' energy: -132.172 flat angles C4'-P-C4' energy: -126.815 flat angles P-C4'-P energy: -81.756 tors. eta vs tors. theta energy: -99.155 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: 6 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1583.851075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.851075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.851075 (E_RNA) where: Base-Base interactions energy: -1066.082 where: short stacking energy: -466.309 Base-Backbone interact. energy: 0.176 local terms energy: -517.944886 where: bonds (distance) C4'-P energy: -115.341 bonds (distance) P-C4' energy: -130.798 flat angles C4'-P-C4' energy: -117.477 flat angles P-C4'-P energy: -52.885 tors. eta vs tors. theta energy: -101.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -975.692121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.692121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.692121 (E_RNA) where: Base-Base interactions energy: -576.057 where: short stacking energy: -276.964 Base-Backbone interact. energy: 9.818 local terms energy: -409.453533 where: bonds (distance) C4'-P energy: -126.354 bonds (distance) P-C4' energy: -114.445 flat angles C4'-P-C4' energy: -93.856 flat angles P-C4'-P energy: -59.912 tors. eta vs tors. theta energy: -14.887 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: 10, replica: 9 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -696.234773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.234773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.234773 (E_RNA) where: Base-Base interactions energy: -325.105 where: short stacking energy: -228.140 Base-Backbone interact. energy: -3.764 local terms energy: -367.366370 where: bonds (distance) C4'-P energy: -99.815 bonds (distance) P-C4' energy: -100.370 flat angles C4'-P-C4' energy: -114.094 flat angles P-C4'-P energy: -59.081 tors. eta vs tors. theta energy: 5.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2643.144759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.144759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.144759 (E_RNA) where: Base-Base interactions energy: -1827.658 where: short stacking energy: -805.148 Base-Backbone interact. energy: -6.707 local terms energy: -808.780386 where: bonds (distance) C4'-P energy: -147.480 bonds (distance) P-C4' energy: -154.472 flat angles C4'-P-C4' energy: -171.919 flat angles P-C4'-P energy: -109.594 tors. eta vs tors. theta energy: -225.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2530.725278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.725278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.725278 (E_RNA) where: Base-Base interactions energy: -1728.131 where: short stacking energy: -750.330 Base-Backbone interact. energy: -5.062 local terms energy: -797.532577 where: bonds (distance) C4'-P energy: -143.692 bonds (distance) P-C4' energy: -146.930 flat angles C4'-P-C4' energy: -177.310 flat angles P-C4'-P energy: -103.250 tors. eta vs tors. theta energy: -226.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2371.829205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.829205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.829205 (E_RNA) where: Base-Base interactions energy: -1643.407 where: short stacking energy: -692.021 Base-Backbone interact. energy: 0.623 local terms energy: -729.045453 where: bonds (distance) C4'-P energy: -131.984 bonds (distance) P-C4' energy: -149.596 flat angles C4'-P-C4' energy: -157.685 flat angles P-C4'-P energy: -93.519 tors. eta vs tors. theta energy: -196.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2252.549957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.549957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.549957 (E_RNA) where: Base-Base interactions energy: -1515.442 where: short stacking energy: -679.988 Base-Backbone interact. energy: 3.056 local terms energy: -740.164150 where: bonds (distance) C4'-P energy: -139.861 bonds (distance) P-C4' energy: -134.006 flat angles C4'-P-C4' energy: -162.396 flat angles P-C4'-P energy: -110.257 tors. eta vs tors. theta energy: -193.645 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: 10 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2142.232031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.232031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.232031 (E_RNA) where: Base-Base interactions energy: -1485.709 where: short stacking energy: -640.975 Base-Backbone interact. energy: -2.847 local terms energy: -653.675817 where: bonds (distance) C4'-P energy: -99.784 bonds (distance) P-C4' energy: -117.250 flat angles C4'-P-C4' energy: -152.230 flat angles P-C4'-P energy: -106.203 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: 6, replica: 3 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1865.167890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.167890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.167890 (E_RNA) where: Base-Base interactions energy: -1261.817 where: short stacking energy: -541.304 Base-Backbone interact. energy: -4.940 local terms energy: -598.411014 where: bonds (distance) C4'-P energy: -128.872 bonds (distance) P-C4' energy: -132.908 flat angles C4'-P-C4' energy: -126.473 flat angles P-C4'-P energy: -79.934 tors. eta vs tors. theta energy: -130.224 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: 2 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1755.744175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.744175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.744175 (E_RNA) where: Base-Base interactions energy: -1173.117 where: short stacking energy: -507.793 Base-Backbone interact. energy: 5.656 local terms energy: -588.282686 where: bonds (distance) C4'-P energy: -110.021 bonds (distance) P-C4' energy: -133.989 flat angles C4'-P-C4' energy: -136.688 flat angles P-C4'-P energy: -99.577 tors. eta vs tors. theta energy: -108.008 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: 8, replica: 6 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1577.380725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.380725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.380725 (E_RNA) where: Base-Base interactions energy: -1040.434 where: short stacking energy: -474.952 Base-Backbone interact. energy: 3.956 local terms energy: -540.903421 where: bonds (distance) C4'-P energy: -117.482 bonds (distance) P-C4' energy: -113.713 flat angles C4'-P-C4' energy: -125.545 flat angles P-C4'-P energy: -82.384 tors. eta vs tors. theta energy: -101.779 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: 5 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1028.972999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.972999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.972999 (E_RNA) where: Base-Base interactions energy: -586.364 where: short stacking energy: -293.268 Base-Backbone interact. energy: -0.344 local terms energy: -442.265685 where: bonds (distance) C4'-P energy: -103.536 bonds (distance) P-C4' energy: -109.157 flat angles C4'-P-C4' energy: -119.456 flat angles P-C4'-P energy: -79.598 tors. eta vs tors. theta energy: -30.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -722.677325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.677325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.677325 (E_RNA) where: Base-Base interactions energy: -340.577 where: short stacking energy: -181.263 Base-Backbone interact. energy: 4.623 local terms energy: -386.723198 where: bonds (distance) C4'-P energy: -127.259 bonds (distance) P-C4' energy: -128.067 flat angles C4'-P-C4' energy: -95.901 flat angles P-C4'-P energy: -56.634 tors. eta vs tors. theta energy: 21.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2631.610818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.610818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.610818 (E_RNA) where: Base-Base interactions energy: -1802.000 where: short stacking energy: -768.237 Base-Backbone interact. energy: -4.073 local terms energy: -825.537408 where: bonds (distance) C4'-P energy: -156.417 bonds (distance) P-C4' energy: -154.298 flat angles C4'-P-C4' energy: -188.814 flat angles P-C4'-P energy: -119.887 tors. eta vs tors. theta energy: -206.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2541.458333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.458333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.458333 (E_RNA) where: Base-Base interactions energy: -1755.549 where: short stacking energy: -775.516 Base-Backbone interact. energy: -0.764 local terms energy: -785.145683 where: bonds (distance) C4'-P energy: -146.566 bonds (distance) P-C4' energy: -143.266 flat angles C4'-P-C4' energy: -168.547 flat angles P-C4'-P energy: -105.705 tors. eta vs tors. theta energy: -221.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2351.849585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.849585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.849585 (E_RNA) where: Base-Base interactions energy: -1610.427 where: short stacking energy: -674.453 Base-Backbone interact. energy: -1.513 local terms energy: -739.909427 where: bonds (distance) C4'-P energy: -137.521 bonds (distance) P-C4' energy: -141.019 flat angles C4'-P-C4' energy: -156.968 flat angles P-C4'-P energy: -104.914 tors. eta vs tors. theta energy: -199.488 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: 1 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2232.180395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.180395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.180395 (E_RNA) where: Base-Base interactions energy: -1532.110 where: short stacking energy: -676.733 Base-Backbone interact. energy: -3.283 local terms energy: -696.786910 where: bonds (distance) C4'-P energy: -121.398 bonds (distance) P-C4' energy: -128.572 flat angles C4'-P-C4' energy: -155.722 flat angles P-C4'-P energy: -100.006 tors. eta vs tors. theta energy: -191.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2115.547614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.547614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.547614 (E_RNA) where: Base-Base interactions energy: -1413.055 where: short stacking energy: -605.989 Base-Backbone interact. energy: -2.346 local terms energy: -700.146410 where: bonds (distance) C4'-P energy: -142.502 bonds (distance) P-C4' energy: -126.649 flat angles C4'-P-C4' energy: -152.958 flat angles P-C4'-P energy: -100.581 tors. eta vs tors. theta energy: -177.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1907.923822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.923822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.923822 (E_RNA) where: Base-Base interactions energy: -1264.379 where: short stacking energy: -573.632 Base-Backbone interact. energy: -1.449 local terms energy: -642.095749 where: bonds (distance) C4'-P energy: -116.684 bonds (distance) P-C4' energy: -141.895 flat angles C4'-P-C4' energy: -143.602 flat angles P-C4'-P energy: -84.697 tors. eta vs tors. theta energy: -155.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1734.527751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.527751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.527751 (E_RNA) where: Base-Base interactions energy: -1153.721 where: short stacking energy: -501.134 Base-Backbone interact. energy: 0.963 local terms energy: -581.769939 where: bonds (distance) C4'-P energy: -120.155 bonds (distance) P-C4' energy: -127.654 flat angles C4'-P-C4' energy: -130.306 flat angles P-C4'-P energy: -87.625 tors. eta vs tors. theta energy: -116.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1541.863619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.863619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.863619 (E_RNA) where: Base-Base interactions energy: -1002.886 where: short stacking energy: -433.619 Base-Backbone interact. energy: -1.257 local terms energy: -537.720077 where: bonds (distance) C4'-P energy: -114.970 bonds (distance) P-C4' energy: -120.266 flat angles C4'-P-C4' energy: -132.850 flat angles P-C4'-P energy: -73.689 tors. eta vs tors. theta energy: -95.946 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: 5 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1050.802301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.802301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.802301 (E_RNA) where: Base-Base interactions energy: -605.996 where: short stacking energy: -299.728 Base-Backbone interact. energy: 0.829 local terms energy: -445.635319 where: bonds (distance) C4'-P energy: -104.422 bonds (distance) P-C4' energy: -137.659 flat angles C4'-P-C4' energy: -98.687 flat angles P-C4'-P energy: -72.360 tors. eta vs tors. theta energy: -32.507 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: 10, replica: 9 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -763.218632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.218632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.218632 (E_RNA) where: Base-Base interactions energy: -380.509 where: short stacking energy: -217.726 Base-Backbone interact. energy: 1.919 local terms energy: -384.628970 where: bonds (distance) C4'-P energy: -120.832 bonds (distance) P-C4' energy: -120.379 flat angles C4'-P-C4' energy: -102.511 flat angles P-C4'-P energy: -75.001 tors. eta vs tors. theta energy: 34.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2619.715053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.715053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.715053 (E_RNA) where: Base-Base interactions energy: -1812.004 where: short stacking energy: -797.031 Base-Backbone interact. energy: -2.409 local terms energy: -805.301309 where: bonds (distance) C4'-P energy: -151.630 bonds (distance) P-C4' energy: -145.838 flat angles C4'-P-C4' energy: -166.711 flat angles P-C4'-P energy: -118.371 tors. eta vs tors. theta energy: -222.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2526.704249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.704249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.704249 (E_RNA) where: Base-Base interactions energy: -1741.512 where: short stacking energy: -761.851 Base-Backbone interact. energy: -4.650 local terms energy: -780.542186 where: bonds (distance) C4'-P energy: -137.194 bonds (distance) P-C4' energy: -145.144 flat angles C4'-P-C4' energy: -158.029 flat angles P-C4'-P energy: -112.740 tors. eta vs tors. theta energy: -227.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2407.485016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.485016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.485016 (E_RNA) where: Base-Base interactions energy: -1655.246 where: short stacking energy: -706.764 Base-Backbone interact. energy: -2.233 local terms energy: -750.005771 where: bonds (distance) C4'-P energy: -143.960 bonds (distance) P-C4' energy: -145.050 flat angles C4'-P-C4' energy: -160.473 flat angles P-C4'-P energy: -100.066 tors. eta vs tors. theta energy: -200.457 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: 4, replica: 1 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2216.442841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.442841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.442841 (E_RNA) where: Base-Base interactions energy: -1497.520 where: short stacking energy: -686.506 Base-Backbone interact. energy: -4.066 local terms energy: -714.857464 where: bonds (distance) C4'-P energy: -131.927 bonds (distance) P-C4' energy: -135.383 flat angles C4'-P-C4' energy: -148.804 flat angles P-C4'-P energy: -100.070 tors. eta vs tors. theta energy: -198.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2097.408198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.408198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.408198 (E_RNA) where: Base-Base interactions energy: -1411.376 where: short stacking energy: -596.798 Base-Backbone interact. energy: -0.913 local terms energy: -685.119054 where: bonds (distance) C4'-P energy: -137.051 bonds (distance) P-C4' energy: -134.877 flat angles C4'-P-C4' energy: -147.894 flat angles P-C4'-P energy: -105.480 tors. eta vs tors. theta energy: -159.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1896.267446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.267446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.267446 (E_RNA) where: Base-Base interactions energy: -1260.294 where: short stacking energy: -564.269 Base-Backbone interact. energy: 3.003 local terms energy: -638.977168 where: bonds (distance) C4'-P energy: -130.408 bonds (distance) P-C4' energy: -127.812 flat angles C4'-P-C4' energy: -147.251 flat angles P-C4'-P energy: -89.195 tors. eta vs tors. theta energy: -144.311 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: 309 Temperature: 1.200000 Total energy: -1814.033595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.033595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.033595 (E_RNA) where: Base-Base interactions energy: -1185.209 where: short stacking energy: -527.422 Base-Backbone interact. energy: 2.635 local terms energy: -631.459741 where: bonds (distance) C4'-P energy: -131.671 bonds (distance) P-C4' energy: -136.592 flat angles C4'-P-C4' energy: -143.783 flat angles P-C4'-P energy: -89.132 tors. eta vs tors. theta energy: -130.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1597.275709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.275709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.275709 (E_RNA) where: Base-Base interactions energy: -1063.193 where: short stacking energy: -484.636 Base-Backbone interact. energy: -1.426 local terms energy: -532.656746 where: bonds (distance) C4'-P energy: -113.589 bonds (distance) P-C4' energy: -116.217 flat angles C4'-P-C4' energy: -121.709 flat angles P-C4'-P energy: -66.868 tors. eta vs tors. theta energy: -114.274 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: 5 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1010.725321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.725321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.725321 (E_RNA) where: Base-Base interactions energy: -536.621 where: short stacking energy: -280.268 Base-Backbone interact. energy: -1.923 local terms energy: -472.181620 where: bonds (distance) C4'-P energy: -136.406 bonds (distance) P-C4' energy: -111.703 flat angles C4'-P-C4' energy: -124.242 flat angles P-C4'-P energy: -63.790 tors. eta vs tors. theta energy: -36.040 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: 9 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -751.463829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.463829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.463829 (E_RNA) where: Base-Base interactions energy: -347.758 where: short stacking energy: -187.152 Base-Backbone interact. energy: -0.756 local terms energy: -402.949973 where: bonds (distance) C4'-P energy: -138.536 bonds (distance) P-C4' energy: -125.616 flat angles C4'-P-C4' energy: -99.416 flat angles P-C4'-P energy: -57.923 tors. eta vs tors. theta energy: 18.542 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: 4 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2638.084721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.084721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.084721 (E_RNA) where: Base-Base interactions energy: -1801.455 where: short stacking energy: -773.874 Base-Backbone interact. energy: -5.697 local terms energy: -830.932750 where: bonds (distance) C4'-P energy: -151.386 bonds (distance) P-C4' energy: -149.337 flat angles C4'-P-C4' energy: -181.408 flat angles P-C4'-P energy: -112.639 tors. eta vs tors. theta energy: -236.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2504.012772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.012772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.012772 (E_RNA) where: Base-Base interactions energy: -1720.535 where: short stacking energy: -743.785 Base-Backbone interact. energy: -0.779 local terms energy: -782.698525 where: bonds (distance) C4'-P energy: -126.188 bonds (distance) P-C4' energy: -141.799 flat angles C4'-P-C4' energy: -166.431 flat angles P-C4'-P energy: -118.421 tors. eta vs tors. theta energy: -229.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2406.211034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.211034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.211034 (E_RNA) where: Base-Base interactions energy: -1652.180 where: short stacking energy: -702.743 Base-Backbone interact. energy: -3.313 local terms energy: -750.718041 where: bonds (distance) C4'-P energy: -129.279 bonds (distance) P-C4' energy: -150.887 flat angles C4'-P-C4' energy: -155.224 flat angles P-C4'-P energy: -103.530 tors. eta vs tors. theta energy: -211.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2329.496081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.496081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.496081 (E_RNA) where: Base-Base interactions energy: -1572.809 where: short stacking energy: -683.481 Base-Backbone interact. energy: -2.196 local terms energy: -754.490565 where: bonds (distance) C4'-P energy: -134.387 bonds (distance) P-C4' energy: -153.017 flat angles C4'-P-C4' energy: -161.607 flat angles P-C4'-P energy: -100.193 tors. eta vs tors. theta energy: -205.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2158.575244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.575244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.575244 (E_RNA) where: Base-Base interactions energy: -1443.091 where: short stacking energy: -639.143 Base-Backbone interact. energy: -0.579 local terms energy: -714.904848 where: bonds (distance) C4'-P energy: -145.772 bonds (distance) P-C4' energy: -139.503 flat angles C4'-P-C4' energy: -147.423 flat angles P-C4'-P energy: -102.689 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: 6, replica: 3 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1902.908649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.908649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.908649 (E_RNA) where: Base-Base interactions energy: -1293.388 where: short stacking energy: -559.718 Base-Backbone interact. energy: -0.724 local terms energy: -608.796211 where: bonds (distance) C4'-P energy: -109.030 bonds (distance) P-C4' energy: -118.263 flat angles C4'-P-C4' energy: -146.407 flat angles P-C4'-P energy: -82.636 tors. eta vs tors. theta energy: -152.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1830.673433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.673433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.673433 (E_RNA) where: Base-Base interactions energy: -1218.366 where: short stacking energy: -528.945 Base-Backbone interact. energy: -2.115 local terms energy: -610.192262 where: bonds (distance) C4'-P energy: -113.598 bonds (distance) P-C4' energy: -142.466 flat angles C4'-P-C4' energy: -116.362 flat angles P-C4'-P energy: -101.233 tors. eta vs tors. theta energy: -136.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1563.285227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.285227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.285227 (E_RNA) where: Base-Base interactions energy: -1010.608 where: short stacking energy: -441.874 Base-Backbone interact. energy: 0.976 local terms energy: -553.653443 where: bonds (distance) C4'-P energy: -123.932 bonds (distance) P-C4' energy: -141.560 flat angles C4'-P-C4' energy: -128.216 flat angles P-C4'-P energy: -83.229 tors. eta vs tors. theta energy: -76.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -886.379629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.379629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.379629 (E_RNA) where: Base-Base interactions energy: -452.297 where: short stacking energy: -252.817 Base-Backbone interact. energy: -0.675 local terms energy: -433.406894 where: bonds (distance) C4'-P energy: -126.918 bonds (distance) P-C4' energy: -116.428 flat angles C4'-P-C4' energy: -110.421 flat angles P-C4'-P energy: -77.597 tors. eta vs tors. theta energy: -2.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -787.348966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.348966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.348966 (E_RNA) where: Base-Base interactions energy: -408.912 where: short stacking energy: -215.462 Base-Backbone interact. energy: -2.739 local terms energy: -375.698763 where: bonds (distance) C4'-P energy: -105.260 bonds (distance) P-C4' energy: -97.946 flat angles C4'-P-C4' energy: -96.021 flat angles P-C4'-P energy: -67.014 tors. eta vs tors. theta energy: -9.457 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: 4 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2618.652424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.652424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.652424 (E_RNA) where: Base-Base interactions energy: -1831.732 where: short stacking energy: -793.275 Base-Backbone interact. energy: 3.811 local terms energy: -790.731595 where: bonds (distance) C4'-P energy: -139.258 bonds (distance) P-C4' energy: -154.715 flat angles C4'-P-C4' energy: -163.357 flat angles P-C4'-P energy: -110.563 tors. eta vs tors. theta energy: -222.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2529.032063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.032063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.032063 (E_RNA) where: Base-Base interactions energy: -1746.385 where: short stacking energy: -750.174 Base-Backbone interact. energy: -3.816 local terms energy: -778.831172 where: bonds (distance) C4'-P energy: -140.220 bonds (distance) P-C4' energy: -149.659 flat angles C4'-P-C4' energy: -162.002 flat angles P-C4'-P energy: -109.577 tors. eta vs tors. theta energy: -217.374 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: 311 Temperature: 1.000000 Total energy: -2384.859980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.859980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.859980 (E_RNA) where: Base-Base interactions energy: -1632.379 where: short stacking energy: -676.805 Base-Backbone interact. energy: 3.439 local terms energy: -755.920228 where: bonds (distance) C4'-P energy: -149.710 bonds (distance) P-C4' energy: -146.540 flat angles C4'-P-C4' energy: -159.100 flat angles P-C4'-P energy: -104.726 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: 4, replica: 1 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2272.153143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.153143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.153143 (E_RNA) where: Base-Base interactions energy: -1548.609 where: short stacking energy: -689.319 Base-Backbone interact. energy: 2.313 local terms energy: -725.856983 where: bonds (distance) C4'-P energy: -133.048 bonds (distance) P-C4' energy: -147.675 flat angles C4'-P-C4' energy: -150.718 flat angles P-C4'-P energy: -96.048 tors. eta vs tors. theta energy: -198.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2066.479473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.479473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.479473 (E_RNA) where: Base-Base interactions energy: -1383.120 where: short stacking energy: -611.826 Base-Backbone interact. energy: -3.513 local terms energy: -679.846023 where: bonds (distance) C4'-P energy: -124.361 bonds (distance) P-C4' energy: -143.867 flat angles C4'-P-C4' energy: -147.082 flat angles P-C4'-P energy: -93.039 tors. eta vs tors. theta energy: -171.496 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: 3 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1917.088785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.088785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.088785 (E_RNA) where: Base-Base interactions energy: -1260.424 where: short stacking energy: -544.067 Base-Backbone interact. energy: -5.563 local terms energy: -651.102222 where: bonds (distance) C4'-P energy: -134.904 bonds (distance) P-C4' energy: -146.840 flat angles C4'-P-C4' energy: -145.602 flat angles P-C4'-P energy: -88.168 tors. eta vs tors. theta energy: -135.588 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: 2 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1745.589399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.589399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.589399 (E_RNA) where: Base-Base interactions energy: -1190.885 where: short stacking energy: -487.618 Base-Backbone interact. energy: 2.273 local terms energy: -556.976831 where: bonds (distance) C4'-P energy: -129.206 bonds (distance) P-C4' energy: -120.777 flat angles C4'-P-C4' energy: -112.220 flat angles P-C4'-P energy: -82.895 tors. eta vs tors. theta energy: -111.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1517.623810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.623810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.623810 (E_RNA) where: Base-Base interactions energy: -984.429 where: short stacking energy: -435.321 Base-Backbone interact. energy: -0.114 local terms energy: -533.080465 where: bonds (distance) C4'-P energy: -144.453 bonds (distance) P-C4' energy: -139.922 flat angles C4'-P-C4' energy: -107.557 flat angles P-C4'-P energy: -61.741 tors. eta vs tors. theta energy: -79.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -861.332803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.332803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.332803 (E_RNA) where: Base-Base interactions energy: -444.238 where: short stacking energy: -236.323 Base-Backbone interact. energy: -2.932 local terms energy: -414.162756 where: bonds (distance) C4'-P energy: -107.463 bonds (distance) P-C4' energy: -126.293 flat angles C4'-P-C4' energy: -101.633 flat angles P-C4'-P energy: -75.885 tors. eta vs tors. theta energy: -2.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -694.127197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.127197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.127197 (E_RNA) where: Base-Base interactions energy: -288.113 where: short stacking energy: -185.216 Base-Backbone interact. energy: -2.433 local terms energy: -403.580990 where: bonds (distance) C4'-P energy: -116.422 bonds (distance) P-C4' energy: -117.367 flat angles C4'-P-C4' energy: -120.460 flat angles P-C4'-P energy: -72.170 tors. eta vs tors. theta energy: 22.838 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: 4 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2622.019318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.019318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.019318 (E_RNA) where: Base-Base interactions energy: -1774.935 where: short stacking energy: -755.743 Base-Backbone interact. energy: -4.853 local terms energy: -842.231148 where: bonds (distance) C4'-P energy: -148.044 bonds (distance) P-C4' energy: -171.046 flat angles C4'-P-C4' energy: -176.766 flat angles P-C4'-P energy: -119.715 tors. eta vs tors. theta energy: -226.661 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: 8 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2564.306580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.306580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.306580 (E_RNA) where: Base-Base interactions energy: -1755.538 where: short stacking energy: -768.229 Base-Backbone interact. energy: -5.045 local terms energy: -803.724250 where: bonds (distance) C4'-P energy: -141.515 bonds (distance) P-C4' energy: -147.832 flat angles C4'-P-C4' energy: -168.878 flat angles P-C4'-P energy: -114.138 tors. eta vs tors. theta energy: -231.361 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: 312 Temperature: 1.000000 Total energy: -2360.472722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.472722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.472722 (E_RNA) where: Base-Base interactions energy: -1613.888 where: short stacking energy: -679.990 Base-Backbone interact. energy: -4.757 local terms energy: -741.827277 where: bonds (distance) C4'-P energy: -142.981 bonds (distance) P-C4' energy: -152.015 flat angles C4'-P-C4' energy: -164.441 flat angles P-C4'-P energy: -89.422 tors. eta vs tors. theta energy: -192.968 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: 1 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2333.067767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.067767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.067767 (E_RNA) where: Base-Base interactions energy: -1629.603 where: short stacking energy: -701.948 Base-Backbone interact. energy: -4.605 local terms energy: -698.859504 where: bonds (distance) C4'-P energy: -113.264 bonds (distance) P-C4' energy: -135.764 flat angles C4'-P-C4' energy: -148.276 flat angles P-C4'-P energy: -104.650 tors. eta vs tors. theta energy: -196.906 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: 10 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2062.671801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.671801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.671801 (E_RNA) where: Base-Base interactions energy: -1360.627 where: short stacking energy: -608.427 Base-Backbone interact. energy: -2.136 local terms energy: -699.908599 where: bonds (distance) C4'-P energy: -140.489 bonds (distance) P-C4' energy: -143.401 flat angles C4'-P-C4' energy: -153.522 flat angles P-C4'-P energy: -93.720 tors. eta vs tors. theta energy: -168.777 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: 6, replica: 3 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2002.604250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.604250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.604250 (E_RNA) where: Base-Base interactions energy: -1370.405 where: short stacking energy: -580.779 Base-Backbone interact. energy: -4.001 local terms energy: -628.198872 where: bonds (distance) C4'-P energy: -116.785 bonds (distance) P-C4' energy: -129.427 flat angles C4'-P-C4' energy: -142.131 flat angles P-C4'-P energy: -85.431 tors. eta vs tors. theta energy: -154.425 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: 2 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1775.615946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.615946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.615946 (E_RNA) where: Base-Base interactions energy: -1180.235 where: short stacking energy: -507.510 Base-Backbone interact. energy: 2.150 local terms energy: -597.530129 where: bonds (distance) C4'-P energy: -119.515 bonds (distance) P-C4' energy: -140.678 flat angles C4'-P-C4' energy: -139.751 flat angles P-C4'-P energy: -75.997 tors. eta vs tors. theta energy: -121.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1547.942516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.942516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.942516 (E_RNA) where: Base-Base interactions energy: -998.986 where: short stacking energy: -433.430 Base-Backbone interact. energy: -2.645 local terms energy: -546.311293 where: bonds (distance) C4'-P energy: -118.702 bonds (distance) P-C4' energy: -124.594 flat angles C4'-P-C4' energy: -117.148 flat angles P-C4'-P energy: -90.596 tors. eta vs tors. theta energy: -95.271 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: 5 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -874.281362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.281362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.281362 (E_RNA) where: Base-Base interactions energy: -482.323 where: short stacking energy: -277.510 Base-Backbone interact. energy: -1.802 local terms energy: -390.156283 where: bonds (distance) C4'-P energy: -101.249 bonds (distance) P-C4' energy: -115.763 flat angles C4'-P-C4' energy: -88.897 flat angles P-C4'-P energy: -65.511 tors. eta vs tors. theta energy: -18.736 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: 9 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -744.034700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.034700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.034700 (E_RNA) where: Base-Base interactions energy: -329.086 where: short stacking energy: -215.041 Base-Backbone interact. energy: 0.846 local terms energy: -415.794887 where: bonds (distance) C4'-P energy: -105.053 bonds (distance) P-C4' energy: -129.440 flat angles C4'-P-C4' energy: -94.687 flat angles P-C4'-P energy: -70.705 tors. eta vs tors. theta energy: -15.909 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: 4 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2635.509414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.509414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.509414 (E_RNA) where: Base-Base interactions energy: -1839.339 where: short stacking energy: -785.087 Base-Backbone interact. energy: -3.048 local terms energy: -793.122545 where: bonds (distance) C4'-P energy: -148.826 bonds (distance) P-C4' energy: -157.266 flat angles C4'-P-C4' energy: -153.058 flat angles P-C4'-P energy: -113.538 tors. eta vs tors. theta energy: -220.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2526.351214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.351214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.351214 (E_RNA) where: Base-Base interactions energy: -1752.717 where: short stacking energy: -751.874 Base-Backbone interact. energy: -0.905 local terms energy: -772.729161 where: bonds (distance) C4'-P energy: -136.014 bonds (distance) P-C4' energy: -141.271 flat angles C4'-P-C4' energy: -168.889 flat angles P-C4'-P energy: -104.883 tors. eta vs tors. theta energy: -221.673 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: 313 Temperature: 1.000000 Total energy: -2382.974614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.974614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.974614 (E_RNA) where: Base-Base interactions energy: -1630.797 where: short stacking energy: -706.124 Base-Backbone interact. energy: -0.540 local terms energy: -751.636986 where: bonds (distance) C4'-P energy: -136.371 bonds (distance) P-C4' energy: -135.095 flat angles C4'-P-C4' energy: -151.819 flat angles P-C4'-P energy: -117.608 tors. eta vs tors. theta energy: -210.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2325.513842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.513842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.513842 (E_RNA) where: Base-Base interactions energy: -1605.534 where: short stacking energy: -672.971 Base-Backbone interact. energy: -2.487 local terms energy: -717.493319 where: bonds (distance) C4'-P energy: -137.635 bonds (distance) P-C4' energy: -142.259 flat angles C4'-P-C4' energy: -147.841 flat angles P-C4'-P energy: -105.359 tors. eta vs tors. theta energy: -184.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2067.329016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.329016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.329016 (E_RNA) where: Base-Base interactions energy: -1370.352 where: short stacking energy: -571.511 Base-Backbone interact. energy: -3.082 local terms energy: -693.895177 where: bonds (distance) C4'-P energy: -136.540 bonds (distance) P-C4' energy: -132.366 flat angles C4'-P-C4' energy: -152.885 flat angles P-C4'-P energy: -108.207 tors. eta vs tors. theta energy: -163.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1956.195588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.195588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.195588 (E_RNA) where: Base-Base interactions energy: -1310.154 where: short stacking energy: -566.251 Base-Backbone interact. energy: -2.110 local terms energy: -643.931194 where: bonds (distance) C4'-P energy: -116.126 bonds (distance) P-C4' energy: -138.474 flat angles C4'-P-C4' energy: -142.849 flat angles P-C4'-P energy: -96.249 tors. eta vs tors. theta energy: -150.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1756.630157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.630157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.630157 (E_RNA) where: Base-Base interactions energy: -1178.242 where: short stacking energy: -511.173 Base-Backbone interact. energy: -2.007 local terms energy: -576.381203 where: bonds (distance) C4'-P energy: -120.800 bonds (distance) P-C4' energy: -119.016 flat angles C4'-P-C4' energy: -131.336 flat angles P-C4'-P energy: -81.531 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: 8, replica: 6 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1533.826029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.826029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.826029 (E_RNA) where: Base-Base interactions energy: -1003.905 where: short stacking energy: -448.992 Base-Backbone interact. energy: -1.506 local terms energy: -528.415513 where: bonds (distance) C4'-P energy: -111.617 bonds (distance) P-C4' energy: -133.569 flat angles C4'-P-C4' energy: -124.624 flat angles P-C4'-P energy: -76.029 tors. eta vs tors. theta energy: -82.576 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: 5 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -940.078773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.078773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.078773 (E_RNA) where: Base-Base interactions energy: -479.397 where: short stacking energy: -276.271 Base-Backbone interact. energy: -0.791 local terms energy: -459.891059 where: bonds (distance) C4'-P energy: -126.918 bonds (distance) P-C4' energy: -138.465 flat angles C4'-P-C4' energy: -109.428 flat angles P-C4'-P energy: -66.789 tors. eta vs tors. theta energy: -18.291 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: 313 Temperature: 1.350000 Total energy: -766.012169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.012169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.012169 (E_RNA) where: Base-Base interactions energy: -355.669 where: short stacking energy: -231.670 Base-Backbone interact. energy: -0.884 local terms energy: -409.460079 where: bonds (distance) C4'-P energy: -136.889 bonds (distance) P-C4' energy: -111.341 flat angles C4'-P-C4' energy: -98.870 flat angles P-C4'-P energy: -57.094 tors. eta vs tors. theta energy: -5.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2648.029356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.029356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.029356 (E_RNA) where: Base-Base interactions energy: -1829.451 where: short stacking energy: -778.254 Base-Backbone interact. energy: -3.003 local terms energy: -815.575883 where: bonds (distance) C4'-P energy: -160.409 bonds (distance) P-C4' energy: -144.423 flat angles C4'-P-C4' energy: -164.272 flat angles P-C4'-P energy: -114.149 tors. eta vs tors. theta energy: -232.323 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: 8 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2545.106709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.106709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.106709 (E_RNA) where: Base-Base interactions energy: -1756.964 where: short stacking energy: -749.905 Base-Backbone interact. energy: -3.019 local terms energy: -785.123317 where: bonds (distance) C4'-P energy: -134.054 bonds (distance) P-C4' energy: -157.981 flat angles C4'-P-C4' energy: -157.291 flat angles P-C4'-P energy: -117.631 tors. eta vs tors. theta energy: -218.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2362.725313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.725313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.725313 (E_RNA) where: Base-Base interactions energy: -1593.330 where: short stacking energy: -706.277 Base-Backbone interact. energy: 1.312 local terms energy: -770.707725 where: bonds (distance) C4'-P energy: -134.972 bonds (distance) P-C4' energy: -144.107 flat angles C4'-P-C4' energy: -169.828 flat angles P-C4'-P energy: -117.791 tors. eta vs tors. theta energy: -204.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2326.443053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.443053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.443053 (E_RNA) where: Base-Base interactions energy: -1575.378 where: short stacking energy: -668.305 Base-Backbone interact. energy: 0.419 local terms energy: -751.483776 where: bonds (distance) C4'-P energy: -142.853 bonds (distance) P-C4' energy: -126.270 flat angles C4'-P-C4' energy: -171.417 flat angles P-C4'-P energy: -115.273 tors. eta vs tors. theta energy: -195.670 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: 10 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2098.825697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.825697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.825697 (E_RNA) where: Base-Base interactions energy: -1403.899 where: short stacking energy: -632.774 Base-Backbone interact. energy: -3.455 local terms energy: -691.471850 where: bonds (distance) C4'-P energy: -133.093 bonds (distance) P-C4' energy: -130.669 flat angles C4'-P-C4' energy: -162.082 flat angles P-C4'-P energy: -93.600 tors. eta vs tors. theta energy: -172.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2026.797730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.797730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.797730 (E_RNA) where: Base-Base interactions energy: -1389.293 where: short stacking energy: -574.783 Base-Backbone interact. energy: -2.663 local terms energy: -634.841205 where: bonds (distance) C4'-P energy: -131.278 bonds (distance) P-C4' energy: -115.197 flat angles C4'-P-C4' energy: -138.799 flat angles P-C4'-P energy: -77.894 tors. eta vs tors. theta energy: -171.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1762.006086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.006086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.006086 (E_RNA) where: Base-Base interactions energy: -1193.739 where: short stacking energy: -499.449 Base-Backbone interact. energy: -3.733 local terms energy: -564.533919 where: bonds (distance) C4'-P energy: -121.518 bonds (distance) P-C4' energy: -124.624 flat angles C4'-P-C4' energy: -136.263 flat angles P-C4'-P energy: -82.401 tors. eta vs tors. theta energy: -99.728 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: 314 Temperature: 1.250000 Total energy: -1516.510916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.510916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.510916 (E_RNA) where: Base-Base interactions energy: -951.410 where: short stacking energy: -420.641 Base-Backbone interact. energy: -4.341 local terms energy: -560.760250 where: bonds (distance) C4'-P energy: -128.718 bonds (distance) P-C4' energy: -125.776 flat angles C4'-P-C4' energy: -143.757 flat angles P-C4'-P energy: -68.401 tors. eta vs tors. theta energy: -94.108 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: 5 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -979.872864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.872864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.872864 (E_RNA) where: Base-Base interactions energy: -502.230 where: short stacking energy: -281.598 Base-Backbone interact. energy: -0.076 local terms energy: -477.566318 where: bonds (distance) C4'-P energy: -135.834 bonds (distance) P-C4' energy: -118.388 flat angles C4'-P-C4' energy: -115.506 flat angles P-C4'-P energy: -86.806 tors. eta vs tors. theta energy: -21.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -773.497782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.497782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.497782 (E_RNA) where: Base-Base interactions energy: -411.208 where: short stacking energy: -208.989 Base-Backbone interact. energy: 4.014 local terms energy: -366.303109 where: bonds (distance) C4'-P energy: -102.289 bonds (distance) P-C4' energy: -124.096 flat angles C4'-P-C4' energy: -112.251 flat angles P-C4'-P energy: -38.599 tors. eta vs tors. theta energy: 10.931 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: 4 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2666.915798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.915798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.915798 (E_RNA) where: Base-Base interactions energy: -1829.042 where: short stacking energy: -787.795 Base-Backbone interact. energy: -3.221 local terms energy: -834.652371 where: bonds (distance) C4'-P energy: -150.460 bonds (distance) P-C4' energy: -159.781 flat angles C4'-P-C4' energy: -175.256 flat angles P-C4'-P energy: -112.577 tors. eta vs tors. theta energy: -236.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2507.850513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.850513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.850513 (E_RNA) where: Base-Base interactions energy: -1729.310 where: short stacking energy: -742.233 Base-Backbone interact. energy: -1.465 local terms energy: -777.076323 where: bonds (distance) C4'-P energy: -146.346 bonds (distance) P-C4' energy: -142.076 flat angles C4'-P-C4' energy: -162.084 flat angles P-C4'-P energy: -98.076 tors. eta vs tors. theta energy: -228.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2380.445651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.445651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.445651 (E_RNA) where: Base-Base interactions energy: -1614.645 where: short stacking energy: -715.629 Base-Backbone interact. energy: -0.020 local terms energy: -765.780586 where: bonds (distance) C4'-P energy: -137.835 bonds (distance) P-C4' energy: -146.454 flat angles C4'-P-C4' energy: -158.526 flat angles P-C4'-P energy: -107.799 tors. eta vs tors. theta energy: -215.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2283.073907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.073907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.073907 (E_RNA) where: Base-Base interactions energy: -1566.251 where: short stacking energy: -660.468 Base-Backbone interact. energy: -3.559 local terms energy: -713.263686 where: bonds (distance) C4'-P energy: -137.911 bonds (distance) P-C4' energy: -135.408 flat angles C4'-P-C4' energy: -150.404 flat angles P-C4'-P energy: -103.937 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: 5, replica: 10 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2093.946661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.946661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.946661 (E_RNA) where: Base-Base interactions energy: -1406.046 where: short stacking energy: -635.358 Base-Backbone interact. energy: -2.482 local terms energy: -685.418078 where: bonds (distance) C4'-P energy: -126.644 bonds (distance) P-C4' energy: -129.446 flat angles C4'-P-C4' energy: -153.892 flat angles P-C4'-P energy: -98.441 tors. eta vs tors. theta energy: -176.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1980.870541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.870541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.870541 (E_RNA) where: Base-Base interactions energy: -1347.459 where: short stacking energy: -581.908 Base-Backbone interact. energy: -2.739 local terms energy: -630.672502 where: bonds (distance) C4'-P energy: -119.898 bonds (distance) P-C4' energy: -122.119 flat angles C4'-P-C4' energy: -131.486 flat angles P-C4'-P energy: -99.580 tors. eta vs tors. theta energy: -157.590 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: 2 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1766.670828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.670828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.670828 (E_RNA) where: Base-Base interactions energy: -1186.664 where: short stacking energy: -486.515 Base-Backbone interact. energy: -1.275 local terms energy: -578.731228 where: bonds (distance) C4'-P energy: -119.305 bonds (distance) P-C4' energy: -106.330 flat angles C4'-P-C4' energy: -133.463 flat angles P-C4'-P energy: -99.420 tors. eta vs tors. theta energy: -120.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1578.699394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.699394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.699394 (E_RNA) where: Base-Base interactions energy: -999.884 where: short stacking energy: -462.842 Base-Backbone interact. energy: -1.236 local terms energy: -577.579522 where: bonds (distance) C4'-P energy: -133.628 bonds (distance) P-C4' energy: -132.652 flat angles C4'-P-C4' energy: -118.018 flat angles P-C4'-P energy: -76.293 tors. eta vs tors. theta energy: -116.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1050.283266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.283266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.283266 (E_RNA) where: Base-Base interactions energy: -591.622 where: short stacking energy: -292.245 Base-Backbone interact. energy: -0.714 local terms energy: -457.947298 where: bonds (distance) C4'-P energy: -118.130 bonds (distance) P-C4' energy: -125.066 flat angles C4'-P-C4' energy: -124.470 flat angles P-C4'-P energy: -70.663 tors. eta vs tors. theta energy: -19.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -775.127981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.127981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.127981 (E_RNA) where: Base-Base interactions energy: -378.049 where: short stacking energy: -205.717 Base-Backbone interact. energy: -0.146 local terms energy: -396.933327 where: bonds (distance) C4'-P energy: -114.692 bonds (distance) P-C4' energy: -135.771 flat angles C4'-P-C4' energy: -111.425 flat angles P-C4'-P energy: -57.312 tors. eta vs tors. theta energy: 22.267 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: 4 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2635.017306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.017306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.017306 (E_RNA) where: Base-Base interactions energy: -1838.519 where: short stacking energy: -771.726 Base-Backbone interact. energy: -3.537 local terms energy: -792.960897 where: bonds (distance) C4'-P energy: -141.540 bonds (distance) P-C4' energy: -141.832 flat angles C4'-P-C4' energy: -159.553 flat angles P-C4'-P energy: -125.539 tors. eta vs tors. theta energy: -224.497 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: 2, replica: 8 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2505.614157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.614157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.614157 (E_RNA) where: Base-Base interactions energy: -1738.560 where: short stacking energy: -737.651 Base-Backbone interact. energy: -2.333 local terms energy: -764.720563 where: bonds (distance) C4'-P energy: -137.122 bonds (distance) P-C4' energy: -143.528 flat angles C4'-P-C4' energy: -166.442 flat angles P-C4'-P energy: -106.084 tors. eta vs tors. theta energy: -211.545 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: 7 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2368.305249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.305249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.305249 (E_RNA) where: Base-Base interactions energy: -1632.978 where: short stacking energy: -719.928 Base-Backbone interact. energy: -1.749 local terms energy: -733.578624 where: bonds (distance) C4'-P energy: -134.894 bonds (distance) P-C4' energy: -139.047 flat angles C4'-P-C4' energy: -157.157 flat angles P-C4'-P energy: -103.869 tors. eta vs tors. theta energy: -198.612 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: 1 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2242.940273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.940273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.940273 (E_RNA) where: Base-Base interactions energy: -1567.148 where: short stacking energy: -658.405 Base-Backbone interact. energy: -4.556 local terms energy: -671.236254 where: bonds (distance) C4'-P energy: -131.567 bonds (distance) P-C4' energy: -131.984 flat angles C4'-P-C4' energy: -141.393 flat angles P-C4'-P energy: -96.340 tors. eta vs tors. theta energy: -169.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2120.218183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.218183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.218183 (E_RNA) where: Base-Base interactions energy: -1398.984 where: short stacking energy: -645.559 Base-Backbone interact. energy: 0.068 local terms energy: -721.302497 where: bonds (distance) C4'-P energy: -137.177 bonds (distance) P-C4' energy: -141.695 flat angles C4'-P-C4' energy: -158.979 flat angles P-C4'-P energy: -104.221 tors. eta vs tors. theta energy: -179.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1982.867906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.867906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.867906 (E_RNA) where: Base-Base interactions energy: -1338.236 where: short stacking energy: -546.092 Base-Backbone interact. energy: -4.382 local terms energy: -640.250211 where: bonds (distance) C4'-P energy: -133.932 bonds (distance) P-C4' energy: -146.484 flat angles C4'-P-C4' energy: -144.030 flat angles P-C4'-P energy: -86.236 tors. eta vs tors. theta energy: -129.568 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: 2 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1803.447084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.447084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.447084 (E_RNA) where: Base-Base interactions energy: -1212.647 where: short stacking energy: -529.955 Base-Backbone interact. energy: 3.445 local terms energy: -594.245307 where: bonds (distance) C4'-P energy: -124.742 bonds (distance) P-C4' energy: -125.003 flat angles C4'-P-C4' energy: -136.400 flat angles P-C4'-P energy: -70.313 tors. eta vs tors. theta energy: -137.787 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: 6 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1627.797039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.797039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.797039 (E_RNA) where: Base-Base interactions energy: -1068.747 where: short stacking energy: -476.672 Base-Backbone interact. energy: 0.099 local terms energy: -559.148763 where: bonds (distance) C4'-P energy: -143.952 bonds (distance) P-C4' energy: -128.637 flat angles C4'-P-C4' energy: -131.786 flat angles P-C4'-P energy: -64.012 tors. eta vs tors. theta energy: -90.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1069.164597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.164597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.164597 (E_RNA) where: Base-Base interactions energy: -595.861 where: short stacking energy: -330.718 Base-Backbone interact. energy: -0.756 local terms energy: -472.547442 where: bonds (distance) C4'-P energy: -117.879 bonds (distance) P-C4' energy: -120.072 flat angles C4'-P-C4' energy: -105.663 flat angles P-C4'-P energy: -89.791 tors. eta vs tors. theta energy: -39.142 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: 9 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -772.876320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.876320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.876320 (E_RNA) where: Base-Base interactions energy: -366.652 where: short stacking energy: -197.467 Base-Backbone interact. energy: -0.075 local terms energy: -406.149019 where: bonds (distance) C4'-P energy: -122.075 bonds (distance) P-C4' energy: -120.560 flat angles C4'-P-C4' energy: -96.810 flat angles P-C4'-P energy: -82.190 tors. eta vs tors. theta energy: 15.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2624.997011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.997011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.997011 (E_RNA) where: Base-Base interactions energy: -1836.535 where: short stacking energy: -779.987 Base-Backbone interact. energy: 0.426 local terms energy: -788.887945 where: bonds (distance) C4'-P energy: -144.877 bonds (distance) P-C4' energy: -152.069 flat angles C4'-P-C4' energy: -175.963 flat angles P-C4'-P energy: -100.802 tors. eta vs tors. theta energy: -215.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2513.022676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.022676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.022676 (E_RNA) where: Base-Base interactions energy: -1734.597 where: short stacking energy: -705.182 Base-Backbone interact. energy: -2.809 local terms energy: -775.617238 where: bonds (distance) C4'-P energy: -145.703 bonds (distance) P-C4' energy: -137.077 flat angles C4'-P-C4' energy: -171.827 flat angles P-C4'-P energy: -113.781 tors. eta vs tors. theta energy: -207.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2391.067050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.067050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.067050 (E_RNA) where: Base-Base interactions energy: -1638.049 where: short stacking energy: -711.454 Base-Backbone interact. energy: -3.563 local terms energy: -749.455078 where: bonds (distance) C4'-P energy: -145.129 bonds (distance) P-C4' energy: -135.334 flat angles C4'-P-C4' energy: -161.577 flat angles P-C4'-P energy: -112.472 tors. eta vs tors. theta energy: -194.944 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: 317 Temperature: 1.050000 Total energy: -2156.472394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.472394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.472394 (E_RNA) where: Base-Base interactions energy: -1458.686 where: short stacking energy: -629.063 Base-Backbone interact. energy: -3.428 local terms energy: -694.358381 where: bonds (distance) C4'-P energy: -128.642 bonds (distance) P-C4' energy: -134.996 flat angles C4'-P-C4' energy: -153.632 flat angles P-C4'-P energy: -100.356 tors. eta vs tors. theta energy: -176.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2165.333813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.333813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.333813 (E_RNA) where: Base-Base interactions energy: -1455.849 where: short stacking energy: -637.115 Base-Backbone interact. energy: 0.937 local terms energy: -710.421420 where: bonds (distance) C4'-P energy: -123.123 bonds (distance) P-C4' energy: -129.959 flat angles C4'-P-C4' energy: -156.549 flat angles P-C4'-P energy: -112.726 tors. eta vs tors. theta energy: -188.064 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: 3 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1987.980019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.980019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.980019 (E_RNA) where: Base-Base interactions energy: -1355.235 where: short stacking energy: -569.578 Base-Backbone interact. energy: -3.648 local terms energy: -629.097064 where: bonds (distance) C4'-P energy: -123.679 bonds (distance) P-C4' energy: -125.340 flat angles C4'-P-C4' energy: -137.787 flat angles P-C4'-P energy: -89.547 tors. eta vs tors. theta energy: -152.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1700.518288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.518288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.518288 (E_RNA) where: Base-Base interactions energy: -1161.242 where: short stacking energy: -481.698 Base-Backbone interact. energy: 3.623 local terms energy: -542.899910 where: bonds (distance) C4'-P energy: -118.359 bonds (distance) P-C4' energy: -122.661 flat angles C4'-P-C4' energy: -122.488 flat angles P-C4'-P energy: -72.401 tors. eta vs tors. theta energy: -106.991 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: 317 Temperature: 1.250000 Total energy: -1589.428089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.428089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.428089 (E_RNA) where: Base-Base interactions energy: -1023.411 where: short stacking energy: -441.406 Base-Backbone interact. energy: -5.797 local terms energy: -560.220269 where: bonds (distance) C4'-P energy: -124.323 bonds (distance) P-C4' energy: -116.340 flat angles C4'-P-C4' energy: -132.492 flat angles P-C4'-P energy: -81.933 tors. eta vs tors. theta energy: -105.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1058.539429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.539429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.539429 (E_RNA) where: Base-Base interactions energy: -627.130 where: short stacking energy: -310.562 Base-Backbone interact. energy: 2.992 local terms energy: -434.401369 where: bonds (distance) C4'-P energy: -135.355 bonds (distance) P-C4' energy: -118.363 flat angles C4'-P-C4' energy: -93.924 flat angles P-C4'-P energy: -63.733 tors. eta vs tors. theta energy: -23.026 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: 9 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -778.657342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.657342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.657342 (E_RNA) where: Base-Base interactions energy: -369.364 where: short stacking energy: -184.287 Base-Backbone interact. energy: 0.966 local terms energy: -410.259328 where: bonds (distance) C4'-P energy: -124.134 bonds (distance) P-C4' energy: -139.823 flat angles C4'-P-C4' energy: -88.625 flat angles P-C4'-P energy: -65.179 tors. eta vs tors. theta energy: 7.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2626.944140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.944140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.944140 (E_RNA) where: Base-Base interactions energy: -1818.874 where: short stacking energy: -803.760 Base-Backbone interact. energy: -3.205 local terms energy: -804.865217 where: bonds (distance) C4'-P energy: -143.293 bonds (distance) P-C4' energy: -163.374 flat angles C4'-P-C4' energy: -158.832 flat angles P-C4'-P energy: -111.072 tors. eta vs tors. theta energy: -228.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2543.224194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.224194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.224194 (E_RNA) where: Base-Base interactions energy: -1771.805 where: short stacking energy: -753.151 Base-Backbone interact. energy: -0.859 local terms energy: -770.560332 where: bonds (distance) C4'-P energy: -125.534 bonds (distance) P-C4' energy: -152.711 flat angles C4'-P-C4' energy: -165.060 flat angles P-C4'-P energy: -104.223 tors. eta vs tors. theta energy: -223.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2363.402791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.402791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.402791 (E_RNA) where: Base-Base interactions energy: -1607.846 where: short stacking energy: -708.533 Base-Backbone interact. energy: -2.202 local terms energy: -753.355315 where: bonds (distance) C4'-P energy: -131.351 bonds (distance) P-C4' energy: -139.246 flat angles C4'-P-C4' energy: -159.657 flat angles P-C4'-P energy: -126.272 tors. eta vs tors. theta energy: -196.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2176.011728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.011728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.011728 (E_RNA) where: Base-Base interactions energy: -1460.626 where: short stacking energy: -631.188 Base-Backbone interact. energy: -1.879 local terms energy: -713.506625 where: bonds (distance) C4'-P energy: -135.627 bonds (distance) P-C4' energy: -135.323 flat angles C4'-P-C4' energy: -158.657 flat angles P-C4'-P energy: -108.006 tors. eta vs tors. theta energy: -175.894 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: 1 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2147.960270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.960270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.960270 (E_RNA) where: Base-Base interactions energy: -1468.820 where: short stacking energy: -627.489 Base-Backbone interact. energy: -3.462 local terms energy: -675.677926 where: bonds (distance) C4'-P energy: -116.627 bonds (distance) P-C4' energy: -122.719 flat angles C4'-P-C4' energy: -160.155 flat angles P-C4'-P energy: -103.502 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: 6, replica: 3 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2047.811244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.811244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.811244 (E_RNA) where: Base-Base interactions energy: -1387.396 where: short stacking energy: -577.145 Base-Backbone interact. energy: -1.070 local terms energy: -659.345456 where: bonds (distance) C4'-P energy: -126.327 bonds (distance) P-C4' energy: -129.787 flat angles C4'-P-C4' energy: -150.089 flat angles P-C4'-P energy: -96.420 tors. eta vs tors. theta energy: -156.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1744.893432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.893432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.893432 (E_RNA) where: Base-Base interactions energy: -1151.243 where: short stacking energy: -482.496 Base-Backbone interact. energy: -2.912 local terms energy: -590.738356 where: bonds (distance) C4'-P energy: -109.524 bonds (distance) P-C4' energy: -142.894 flat angles C4'-P-C4' energy: -125.304 flat angles P-C4'-P energy: -95.766 tors. eta vs tors. theta energy: -117.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1572.374117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.374117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.374117 (E_RNA) where: Base-Base interactions energy: -1022.470 where: short stacking energy: -429.073 Base-Backbone interact. energy: -4.210 local terms energy: -545.693704 where: bonds (distance) C4'-P energy: -112.459 bonds (distance) P-C4' energy: -151.528 flat angles C4'-P-C4' energy: -121.831 flat angles P-C4'-P energy: -79.647 tors. eta vs tors. theta energy: -80.229 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: 9, replica: 5 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1040.059691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.059691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.059691 (E_RNA) where: Base-Base interactions energy: -567.853 where: short stacking energy: -294.079 Base-Backbone interact. energy: 1.399 local terms energy: -473.604981 where: bonds (distance) C4'-P energy: -127.442 bonds (distance) P-C4' energy: -134.312 flat angles C4'-P-C4' energy: -116.246 flat angles P-C4'-P energy: -63.958 tors. eta vs tors. theta energy: -31.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -710.810641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.810641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.810641 (E_RNA) where: Base-Base interactions energy: -321.907 where: short stacking energy: -164.348 Base-Backbone interact. energy: -1.288 local terms energy: -387.615724 where: bonds (distance) C4'-P energy: -122.014 bonds (distance) P-C4' energy: -145.134 flat angles C4'-P-C4' energy: -90.221 flat angles P-C4'-P energy: -43.257 tors. eta vs tors. theta energy: 13.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2647.569849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.569849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.569849 (E_RNA) where: Base-Base interactions energy: -1830.307 where: short stacking energy: -779.035 Base-Backbone interact. energy: -3.837 local terms energy: -813.425386 where: bonds (distance) C4'-P energy: -133.551 bonds (distance) P-C4' energy: -149.718 flat angles C4'-P-C4' energy: -179.995 flat angles P-C4'-P energy: -115.241 tors. eta vs tors. theta energy: -234.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2527.596936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.596936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.596936 (E_RNA) where: Base-Base interactions energy: -1746.264 where: short stacking energy: -736.928 Base-Backbone interact. energy: -3.178 local terms energy: -778.154925 where: bonds (distance) C4'-P energy: -134.173 bonds (distance) P-C4' energy: -155.880 flat angles C4'-P-C4' energy: -164.334 flat angles P-C4'-P energy: -111.837 tors. eta vs tors. theta energy: -211.931 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: 7 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2392.518340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.518340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.518340 (E_RNA) where: Base-Base interactions energy: -1653.749 where: short stacking energy: -702.818 Base-Backbone interact. energy: 1.596 local terms energy: -740.364861 where: bonds (distance) C4'-P energy: -131.564 bonds (distance) P-C4' energy: -139.532 flat angles C4'-P-C4' energy: -160.315 flat angles P-C4'-P energy: -102.497 tors. eta vs tors. theta energy: -206.456 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: 4, replica: 1 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2200.267066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.267066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.267066 (E_RNA) where: Base-Base interactions energy: -1519.581 where: short stacking energy: -633.561 Base-Backbone interact. energy: -1.815 local terms energy: -678.871637 where: bonds (distance) C4'-P energy: -132.738 bonds (distance) P-C4' energy: -135.622 flat angles C4'-P-C4' energy: -146.708 flat angles P-C4'-P energy: -92.318 tors. eta vs tors. theta energy: -171.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2067.839195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.839195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.839195 (E_RNA) where: Base-Base interactions energy: -1387.711 where: short stacking energy: -611.800 Base-Backbone interact. energy: -3.453 local terms energy: -676.675915 where: bonds (distance) C4'-P energy: -128.721 bonds (distance) P-C4' energy: -155.318 flat angles C4'-P-C4' energy: -138.450 flat angles P-C4'-P energy: -93.736 tors. eta vs tors. theta energy: -160.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2031.240781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.240781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.240781 (E_RNA) where: Base-Base interactions energy: -1392.133 where: short stacking energy: -577.038 Base-Backbone interact. energy: -0.835 local terms energy: -638.272886 where: bonds (distance) C4'-P energy: -134.971 bonds (distance) P-C4' energy: -122.824 flat angles C4'-P-C4' energy: -141.620 flat angles P-C4'-P energy: -82.686 tors. eta vs tors. theta energy: -156.173 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: 2 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1747.759020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.759020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.759020 (E_RNA) where: Base-Base interactions energy: -1159.102 where: short stacking energy: -515.088 Base-Backbone interact. energy: 1.255 local terms energy: -589.911291 where: bonds (distance) C4'-P energy: -128.775 bonds (distance) P-C4' energy: -143.836 flat angles C4'-P-C4' energy: -133.179 flat angles P-C4'-P energy: -65.322 tors. eta vs tors. theta energy: -118.798 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: 6 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1576.276242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.276242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.276242 (E_RNA) where: Base-Base interactions energy: -1008.670 where: short stacking energy: -458.224 Base-Backbone interact. energy: -2.307 local terms energy: -565.298989 where: bonds (distance) C4'-P energy: -124.706 bonds (distance) P-C4' energy: -127.152 flat angles C4'-P-C4' energy: -117.086 flat angles P-C4'-P energy: -85.122 tors. eta vs tors. theta energy: -111.234 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: 5 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1032.610542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.610542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.610542 (E_RNA) where: Base-Base interactions energy: -566.093 where: short stacking energy: -275.195 Base-Backbone interact. energy: -3.828 local terms energy: -462.690104 where: bonds (distance) C4'-P energy: -112.470 bonds (distance) P-C4' energy: -144.885 flat angles C4'-P-C4' energy: -119.736 flat angles P-C4'-P energy: -51.838 tors. eta vs tors. theta energy: -33.761 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: 9 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -773.794352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.794352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.794352 (E_RNA) where: Base-Base interactions energy: -384.626 where: short stacking energy: -224.892 Base-Backbone interact. energy: 3.164 local terms energy: -392.331707 where: bonds (distance) C4'-P energy: -110.863 bonds (distance) P-C4' energy: -136.134 flat angles C4'-P-C4' energy: -82.164 flat angles P-C4'-P energy: -52.026 tors. eta vs tors. theta energy: -11.145 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: 4 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2627.482870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.482870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.482870 (E_RNA) where: Base-Base interactions energy: -1846.740 where: short stacking energy: -789.254 Base-Backbone interact. energy: -1.781 local terms energy: -778.961702 where: bonds (distance) C4'-P energy: -150.840 bonds (distance) P-C4' energy: -139.667 flat angles C4'-P-C4' energy: -160.387 flat angles P-C4'-P energy: -110.345 tors. eta vs tors. theta energy: -217.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2564.262525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.262525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.262525 (E_RNA) where: Base-Base interactions energy: -1771.256 where: short stacking energy: -760.040 Base-Backbone interact. energy: -1.562 local terms energy: -791.444899 where: bonds (distance) C4'-P energy: -136.474 bonds (distance) P-C4' energy: -144.845 flat angles C4'-P-C4' energy: -169.124 flat angles P-C4'-P energy: -114.993 tors. eta vs tors. theta energy: -226.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2382.340510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.340510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.340510 (E_RNA) where: Base-Base interactions energy: -1637.058 where: short stacking energy: -730.791 Base-Backbone interact. energy: -3.977 local terms energy: -741.304997 where: bonds (distance) C4'-P energy: -126.391 bonds (distance) P-C4' energy: -142.123 flat angles C4'-P-C4' energy: -167.686 flat angles P-C4'-P energy: -101.786 tors. eta vs tors. theta energy: -203.319 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: 4, replica: 1 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2211.036477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.036477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.036477 (E_RNA) where: Base-Base interactions energy: -1533.496 where: short stacking energy: -624.722 Base-Backbone interact. energy: -2.637 local terms energy: -674.903637 where: bonds (distance) C4'-P energy: -136.719 bonds (distance) P-C4' energy: -140.350 flat angles C4'-P-C4' energy: -140.983 flat angles P-C4'-P energy: -88.631 tors. eta vs tors. theta energy: -168.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2069.556363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.556363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.556363 (E_RNA) where: Base-Base interactions energy: -1404.957 where: short stacking energy: -615.796 Base-Backbone interact. energy: 0.868 local terms energy: -665.467554 where: bonds (distance) C4'-P energy: -129.458 bonds (distance) P-C4' energy: -134.283 flat angles C4'-P-C4' energy: -146.053 flat angles P-C4'-P energy: -91.163 tors. eta vs tors. theta energy: -164.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1946.828094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.828094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.828094 (E_RNA) where: Base-Base interactions energy: -1334.069 where: short stacking energy: -555.463 Base-Backbone interact. energy: 1.524 local terms energy: -614.282328 where: bonds (distance) C4'-P energy: -118.576 bonds (distance) P-C4' energy: -126.842 flat angles C4'-P-C4' energy: -137.239 flat angles P-C4'-P energy: -91.339 tors. eta vs tors. theta energy: -140.286 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: 2 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1699.237239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.237239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.237239 (E_RNA) where: Base-Base interactions energy: -1141.111 where: short stacking energy: -513.194 Base-Backbone interact. energy: -0.524 local terms energy: -557.602487 where: bonds (distance) C4'-P energy: -114.568 bonds (distance) P-C4' energy: -123.221 flat angles C4'-P-C4' energy: -134.813 flat angles P-C4'-P energy: -90.972 tors. eta vs tors. theta energy: -94.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1705.406177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.406177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.406177 (E_RNA) where: Base-Base interactions energy: -1189.209 where: short stacking energy: -515.322 Base-Backbone interact. energy: -4.646 local terms energy: -511.550590 where: bonds (distance) C4'-P energy: -121.288 bonds (distance) P-C4' energy: -118.648 flat angles C4'-P-C4' energy: -108.769 flat angles P-C4'-P energy: -58.996 tors. eta vs tors. theta energy: -103.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1109.215333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.215333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.215333 (E_RNA) where: Base-Base interactions energy: -656.177 where: short stacking energy: -299.575 Base-Backbone interact. energy: -2.277 local terms energy: -450.760818 where: bonds (distance) C4'-P energy: -126.993 bonds (distance) P-C4' energy: -114.048 flat angles C4'-P-C4' energy: -114.210 flat angles P-C4'-P energy: -64.654 tors. eta vs tors. theta energy: -30.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -757.520171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.520171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.520171 (E_RNA) where: Base-Base interactions energy: -358.156 where: short stacking energy: -222.817 Base-Backbone interact. energy: 3.207 local terms energy: -402.571061 where: bonds (distance) C4'-P energy: -104.213 bonds (distance) P-C4' energy: -132.451 flat angles C4'-P-C4' energy: -98.947 flat angles P-C4'-P energy: -63.530 tors. eta vs tors. theta energy: -3.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2652.657936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.657936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.657936 (E_RNA) where: Base-Base interactions energy: -1823.643 where: short stacking energy: -783.179 Base-Backbone interact. energy: -3.247 local terms energy: -825.768452 where: bonds (distance) C4'-P energy: -150.223 bonds (distance) P-C4' energy: -157.321 flat angles C4'-P-C4' energy: -174.984 flat angles P-C4'-P energy: -109.112 tors. eta vs tors. theta energy: -234.129 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: 8 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2560.311646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.311646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.311646 (E_RNA) where: Base-Base interactions energy: -1777.199 where: short stacking energy: -754.497 Base-Backbone interact. energy: -2.018 local terms energy: -781.094609 where: bonds (distance) C4'-P energy: -144.265 bonds (distance) P-C4' energy: -153.522 flat angles C4'-P-C4' energy: -168.819 flat angles P-C4'-P energy: -105.354 tors. eta vs tors. theta energy: -209.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2367.601215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.601215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.601215 (E_RNA) where: Base-Base interactions energy: -1631.402 where: short stacking energy: -708.553 Base-Backbone interact. energy: -3.574 local terms energy: -732.624967 where: bonds (distance) C4'-P energy: -135.241 bonds (distance) P-C4' energy: -146.992 flat angles C4'-P-C4' energy: -146.063 flat angles P-C4'-P energy: -103.348 tors. eta vs tors. theta energy: -200.981 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: 1 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2242.595299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.595299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.595299 (E_RNA) where: Base-Base interactions energy: -1546.598 where: short stacking energy: -696.203 Base-Backbone interact. energy: -3.125 local terms energy: -692.871896 where: bonds (distance) C4'-P energy: -126.499 bonds (distance) P-C4' energy: -119.865 flat angles C4'-P-C4' energy: -153.364 flat angles P-C4'-P energy: -113.866 tors. eta vs tors. theta energy: -179.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2022.287054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.287054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.287054 (E_RNA) where: Base-Base interactions energy: -1352.267 where: short stacking energy: -633.037 Base-Backbone interact. energy: -4.116 local terms energy: -665.904489 where: bonds (distance) C4'-P energy: -131.594 bonds (distance) P-C4' energy: -128.194 flat angles C4'-P-C4' energy: -156.141 flat angles P-C4'-P energy: -89.480 tors. eta vs tors. theta energy: -160.495 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: 6, replica: 3 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1990.238859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.238859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.238859 (E_RNA) where: Base-Base interactions energy: -1360.824 where: short stacking energy: -583.037 Base-Backbone interact. energy: -0.375 local terms energy: -629.039658 where: bonds (distance) C4'-P energy: -117.338 bonds (distance) P-C4' energy: -124.593 flat angles C4'-P-C4' energy: -149.073 flat angles P-C4'-P energy: -84.455 tors. eta vs tors. theta energy: -153.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1669.646226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.646226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.646226 (E_RNA) where: Base-Base interactions energy: -1077.334 where: short stacking energy: -484.936 Base-Backbone interact. energy: -0.583 local terms energy: -591.729496 where: bonds (distance) C4'-P energy: -121.574 bonds (distance) P-C4' energy: -137.779 flat angles C4'-P-C4' energy: -150.958 flat angles P-C4'-P energy: -80.179 tors. eta vs tors. theta energy: -101.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1631.488687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.488687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.488687 (E_RNA) where: Base-Base interactions energy: -1090.161 where: short stacking energy: -462.020 Base-Backbone interact. energy: 0.149 local terms energy: -541.476687 where: bonds (distance) C4'-P energy: -117.088 bonds (distance) P-C4' energy: -97.123 flat angles C4'-P-C4' energy: -134.190 flat angles P-C4'-P energy: -93.152 tors. eta vs tors. theta energy: -99.924 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: 5 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1055.322016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.322016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.322016 (E_RNA) where: Base-Base interactions energy: -592.165 where: short stacking energy: -294.971 Base-Backbone interact. energy: 0.904 local terms energy: -464.060978 where: bonds (distance) C4'-P energy: -128.947 bonds (distance) P-C4' energy: -126.470 flat angles C4'-P-C4' energy: -120.148 flat angles P-C4'-P energy: -51.578 tors. eta vs tors. theta energy: -36.917 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: 10, replica: 9 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -715.532133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.532133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.532133 (E_RNA) where: Base-Base interactions energy: -316.686 where: short stacking energy: -185.621 Base-Backbone interact. energy: -0.594 local terms energy: -398.252349 where: bonds (distance) C4'-P energy: -118.885 bonds (distance) P-C4' energy: -128.666 flat angles C4'-P-C4' energy: -103.108 flat angles P-C4'-P energy: -56.324 tors. eta vs tors. theta energy: 8.731 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: 1, replica: 4 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2668.547562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.547562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.547562 (E_RNA) where: Base-Base interactions energy: -1846.955 where: short stacking energy: -781.898 Base-Backbone interact. energy: -2.600 local terms energy: -818.992784 where: bonds (distance) C4'-P energy: -145.881 bonds (distance) P-C4' energy: -140.628 flat angles C4'-P-C4' energy: -171.593 flat angles P-C4'-P energy: -129.203 tors. eta vs tors. theta energy: -231.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2554.597786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.597786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.597786 (E_RNA) where: Base-Base interactions energy: -1792.246 where: short stacking energy: -763.870 Base-Backbone interact. energy: -1.110 local terms energy: -761.241588 where: bonds (distance) C4'-P energy: -134.496 bonds (distance) P-C4' energy: -138.689 flat angles C4'-P-C4' energy: -170.323 flat angles P-C4'-P energy: -110.856 tors. eta vs tors. theta energy: -206.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2378.060280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.060280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.060280 (E_RNA) where: Base-Base interactions energy: -1636.504 where: short stacking energy: -716.202 Base-Backbone interact. energy: -0.675 local terms energy: -740.881495 where: bonds (distance) C4'-P energy: -112.515 bonds (distance) P-C4' energy: -125.493 flat angles C4'-P-C4' energy: -162.631 flat angles P-C4'-P energy: -130.208 tors. eta vs tors. theta energy: -210.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2263.779203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.779203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.779203 (E_RNA) where: Base-Base interactions energy: -1531.082 where: short stacking energy: -679.445 Base-Backbone interact. energy: 0.102 local terms energy: -732.799462 where: bonds (distance) C4'-P energy: -132.804 bonds (distance) P-C4' energy: -141.467 flat angles C4'-P-C4' energy: -147.156 flat angles P-C4'-P energy: -122.266 tors. eta vs tors. theta energy: -189.106 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: 10 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1983.038344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.038344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.038344 (E_RNA) where: Base-Base interactions energy: -1317.409 where: short stacking energy: -617.850 Base-Backbone interact. energy: -3.819 local terms energy: -661.810637 where: bonds (distance) C4'-P energy: -119.823 bonds (distance) P-C4' energy: -126.925 flat angles C4'-P-C4' energy: -142.681 flat angles P-C4'-P energy: -91.825 tors. eta vs tors. theta energy: -180.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1960.777107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.777107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.777107 (E_RNA) where: Base-Base interactions energy: -1313.160 where: short stacking energy: -547.836 Base-Backbone interact. energy: 0.862 local terms energy: -648.478912 where: bonds (distance) C4'-P energy: -142.380 bonds (distance) P-C4' energy: -137.507 flat angles C4'-P-C4' energy: -143.502 flat angles P-C4'-P energy: -90.431 tors. eta vs tors. theta energy: -134.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1718.277084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.277084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.277084 (E_RNA) where: Base-Base interactions energy: -1149.543 where: short stacking energy: -508.533 Base-Backbone interact. energy: 4.823 local terms energy: -573.556660 where: bonds (distance) C4'-P energy: -113.887 bonds (distance) P-C4' energy: -134.432 flat angles C4'-P-C4' energy: -130.142 flat angles P-C4'-P energy: -78.223 tors. eta vs tors. theta energy: -116.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1606.157225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.157225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.157225 (E_RNA) where: Base-Base interactions energy: -1059.774 where: short stacking energy: -441.334 Base-Backbone interact. energy: -0.155 local terms energy: -546.229098 where: bonds (distance) C4'-P energy: -119.949 bonds (distance) P-C4' energy: -148.605 flat angles C4'-P-C4' energy: -119.071 flat angles P-C4'-P energy: -76.516 tors. eta vs tors. theta energy: -82.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1038.719626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.719626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.719626 (E_RNA) where: Base-Base interactions energy: -590.317 where: short stacking energy: -282.426 Base-Backbone interact. energy: -1.701 local terms energy: -446.701666 where: bonds (distance) C4'-P energy: -109.112 bonds (distance) P-C4' energy: -137.288 flat angles C4'-P-C4' energy: -96.896 flat angles P-C4'-P energy: -78.517 tors. eta vs tors. theta energy: -24.889 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: 9 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -717.178638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.178638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.178638 (E_RNA) where: Base-Base interactions energy: -323.942 where: short stacking energy: -207.191 Base-Backbone interact. energy: 3.517 local terms energy: -396.753500 where: bonds (distance) C4'-P energy: -113.662 bonds (distance) P-C4' energy: -126.356 flat angles C4'-P-C4' energy: -114.216 flat angles P-C4'-P energy: -54.748 tors. eta vs tors. theta energy: 12.228 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: 4 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2613.707155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.707155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.707155 (E_RNA) where: Base-Base interactions energy: -1806.916 where: short stacking energy: -777.321 Base-Backbone interact. energy: -3.235 local terms energy: -803.555914 where: bonds (distance) C4'-P energy: -149.587 bonds (distance) P-C4' energy: -145.239 flat angles C4'-P-C4' energy: -178.571 flat angles P-C4'-P energy: -105.020 tors. eta vs tors. theta energy: -225.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2560.135235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.135235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.135235 (E_RNA) where: Base-Base interactions energy: -1771.854 where: short stacking energy: -765.418 Base-Backbone interact. energy: 1.694 local terms energy: -789.975199 where: bonds (distance) C4'-P energy: -141.508 bonds (distance) P-C4' energy: -143.954 flat angles C4'-P-C4' energy: -159.819 flat angles P-C4'-P energy: -117.571 tors. eta vs tors. theta energy: -227.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2378.245895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.245895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.245895 (E_RNA) where: Base-Base interactions energy: -1625.434 where: short stacking energy: -679.398 Base-Backbone interact. energy: -2.659 local terms energy: -750.152010 where: bonds (distance) C4'-P energy: -135.486 bonds (distance) P-C4' energy: -137.944 flat angles C4'-P-C4' energy: -170.335 flat angles P-C4'-P energy: -114.199 tors. eta vs tors. theta energy: -192.187 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: 1 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2266.755257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.755257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.755257 (E_RNA) where: Base-Base interactions energy: -1558.728 where: short stacking energy: -698.675 Base-Backbone interact. energy: 2.515 local terms energy: -710.541954 where: bonds (distance) C4'-P energy: -128.073 bonds (distance) P-C4' energy: -130.878 flat angles C4'-P-C4' energy: -167.421 flat angles P-C4'-P energy: -95.330 tors. eta vs tors. theta energy: -188.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1952.687390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.687390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.687390 (E_RNA) where: Base-Base interactions energy: -1285.290 where: short stacking energy: -568.310 Base-Backbone interact. energy: -2.642 local terms energy: -664.755283 where: bonds (distance) C4'-P energy: -122.759 bonds (distance) P-C4' energy: -132.623 flat angles C4'-P-C4' energy: -162.687 flat angles P-C4'-P energy: -88.109 tors. eta vs tors. theta energy: -158.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1923.602273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.602273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.602273 (E_RNA) where: Base-Base interactions energy: -1302.615 where: short stacking energy: -550.348 Base-Backbone interact. energy: 0.624 local terms energy: -621.611759 where: bonds (distance) C4'-P energy: -124.263 bonds (distance) P-C4' energy: -126.972 flat angles C4'-P-C4' energy: -140.382 flat angles P-C4'-P energy: -85.663 tors. eta vs tors. theta energy: -144.332 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: 6 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1757.985770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.985770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.985770 (E_RNA) where: Base-Base interactions energy: -1157.321 where: short stacking energy: -510.553 Base-Backbone interact. energy: -0.593 local terms energy: -600.071284 where: bonds (distance) C4'-P energy: -145.008 bonds (distance) P-C4' energy: -132.877 flat angles C4'-P-C4' energy: -123.424 flat angles P-C4'-P energy: -89.789 tors. eta vs tors. theta energy: -108.973 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: 2 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1688.657652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.657652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.657652 (E_RNA) where: Base-Base interactions energy: -1122.203 where: short stacking energy: -486.707 Base-Backbone interact. energy: 5.702 local terms energy: -572.156193 where: bonds (distance) C4'-P energy: -96.136 bonds (distance) P-C4' energy: -141.356 flat angles C4'-P-C4' energy: -136.812 flat angles P-C4'-P energy: -86.529 tors. eta vs tors. theta energy: -111.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1050.103575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.103575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.103575 (E_RNA) where: Base-Base interactions energy: -594.437 where: short stacking energy: -289.520 Base-Backbone interact. energy: -3.350 local terms energy: -452.316579 where: bonds (distance) C4'-P energy: -135.390 bonds (distance) P-C4' energy: -108.382 flat angles C4'-P-C4' energy: -114.344 flat angles P-C4'-P energy: -59.359 tors. eta vs tors. theta energy: -34.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -704.608176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.608176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.608176 (E_RNA) where: Base-Base interactions energy: -324.877 where: short stacking energy: -196.332 Base-Backbone interact. energy: 9.813 local terms energy: -389.544373 where: bonds (distance) C4'-P energy: -115.936 bonds (distance) P-C4' energy: -106.650 flat angles C4'-P-C4' energy: -121.576 flat angles P-C4'-P energy: -47.034 tors. eta vs tors. theta energy: 1.651 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: 1, replica: 4 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2613.180896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.180896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.180896 (E_RNA) where: Base-Base interactions energy: -1798.186 where: short stacking energy: -754.934 Base-Backbone interact. energy: -3.502 local terms energy: -811.492253 where: bonds (distance) C4'-P energy: -146.066 bonds (distance) P-C4' energy: -166.100 flat angles C4'-P-C4' energy: -161.892 flat angles P-C4'-P energy: -117.733 tors. eta vs tors. theta energy: -219.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2520.489652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.489652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.489652 (E_RNA) where: Base-Base interactions energy: -1760.211 where: short stacking energy: -755.165 Base-Backbone interact. energy: 1.271 local terms energy: -761.550066 where: bonds (distance) C4'-P energy: -143.263 bonds (distance) P-C4' energy: -140.769 flat angles C4'-P-C4' energy: -159.205 flat angles P-C4'-P energy: -98.845 tors. eta vs tors. theta energy: -219.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2380.246509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.246509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.246509 (E_RNA) where: Base-Base interactions energy: -1637.327 where: short stacking energy: -721.294 Base-Backbone interact. energy: -0.046 local terms energy: -742.872967 where: bonds (distance) C4'-P energy: -131.267 bonds (distance) P-C4' energy: -125.748 flat angles C4'-P-C4' energy: -166.016 flat angles P-C4'-P energy: -108.230 tors. eta vs tors. theta energy: -211.612 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: 1 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2265.035154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.035154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.035154 (E_RNA) where: Base-Base interactions energy: -1547.337 where: short stacking energy: -675.077 Base-Backbone interact. energy: -2.577 local terms energy: -715.121260 where: bonds (distance) C4'-P energy: -128.755 bonds (distance) P-C4' energy: -127.908 flat angles C4'-P-C4' energy: -163.183 flat angles P-C4'-P energy: -106.333 tors. eta vs tors. theta energy: -188.943 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: 3 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2069.935956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.935956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.935956 (E_RNA) where: Base-Base interactions energy: -1426.547 where: short stacking energy: -597.192 Base-Backbone interact. energy: -0.345 local terms energy: -643.044495 where: bonds (distance) C4'-P energy: -122.703 bonds (distance) P-C4' energy: -131.404 flat angles C4'-P-C4' energy: -137.412 flat angles P-C4'-P energy: -98.589 tors. eta vs tors. theta energy: -152.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1932.019478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.019478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.019478 (E_RNA) where: Base-Base interactions energy: -1319.755 where: short stacking energy: -572.658 Base-Backbone interact. energy: -1.929 local terms energy: -610.335699 where: bonds (distance) C4'-P energy: -101.980 bonds (distance) P-C4' energy: -119.403 flat angles C4'-P-C4' energy: -146.261 flat angles P-C4'-P energy: -90.852 tors. eta vs tors. theta energy: -151.839 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: 324 Temperature: 1.200000 Total energy: -1754.669778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.669778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.669778 (E_RNA) where: Base-Base interactions energy: -1152.087 where: short stacking energy: -499.009 Base-Backbone interact. energy: -4.477 local terms energy: -598.105252 where: bonds (distance) C4'-P energy: -112.664 bonds (distance) P-C4' energy: -154.029 flat angles C4'-P-C4' energy: -152.945 flat angles P-C4'-P energy: -59.711 tors. eta vs tors. theta energy: -118.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1611.188452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.188452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.188452 (E_RNA) where: Base-Base interactions energy: -1070.303 where: short stacking energy: -477.914 Base-Backbone interact. energy: 0.478 local terms energy: -541.363951 where: bonds (distance) C4'-P energy: -91.718 bonds (distance) P-C4' energy: -146.618 flat angles C4'-P-C4' energy: -122.878 flat angles P-C4'-P energy: -80.954 tors. eta vs tors. theta energy: -99.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -996.244238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.244238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.244238 (E_RNA) where: Base-Base interactions energy: -538.363 where: short stacking energy: -291.648 Base-Backbone interact. energy: -0.443 local terms energy: -457.438310 where: bonds (distance) C4'-P energy: -122.109 bonds (distance) P-C4' energy: -113.472 flat angles C4'-P-C4' energy: -125.082 flat angles P-C4'-P energy: -65.258 tors. eta vs tors. theta energy: -31.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -725.355596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.355596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.355596 (E_RNA) where: Base-Base interactions energy: -330.084 where: short stacking energy: -200.054 Base-Backbone interact. energy: -2.068 local terms energy: -393.203305 where: bonds (distance) C4'-P energy: -143.371 bonds (distance) P-C4' energy: -118.012 flat angles C4'-P-C4' energy: -101.777 flat angles P-C4'-P energy: -51.621 tors. eta vs tors. theta energy: 21.578 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: 1, replica: 4 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2622.222311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.222311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.222311 (E_RNA) where: Base-Base interactions energy: -1815.738 where: short stacking energy: -783.014 Base-Backbone interact. energy: -5.838 local terms energy: -800.646484 where: bonds (distance) C4'-P energy: -158.940 bonds (distance) P-C4' energy: -143.603 flat angles C4'-P-C4' energy: -154.804 flat angles P-C4'-P energy: -114.511 tors. eta vs tors. theta energy: -228.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2518.055800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.055800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.055800 (E_RNA) where: Base-Base interactions energy: -1750.175 where: short stacking energy: -734.931 Base-Backbone interact. energy: 0.525 local terms energy: -768.405397 where: bonds (distance) C4'-P energy: -138.472 bonds (distance) P-C4' energy: -129.356 flat angles C4'-P-C4' energy: -170.235 flat angles P-C4'-P energy: -115.012 tors. eta vs tors. theta energy: -215.330 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: 7 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2413.555599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.555599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.555599 (E_RNA) where: Base-Base interactions energy: -1621.073 where: short stacking energy: -692.276 Base-Backbone interact. energy: -2.433 local terms energy: -790.050201 where: bonds (distance) C4'-P energy: -145.790 bonds (distance) P-C4' energy: -145.207 flat angles C4'-P-C4' energy: -170.969 flat angles P-C4'-P energy: -114.148 tors. eta vs tors. theta energy: -213.937 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: 4, replica: 1 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2237.476773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.476773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.476773 (E_RNA) where: Base-Base interactions energy: -1521.839 where: short stacking energy: -668.040 Base-Backbone interact. energy: 1.194 local terms energy: -716.832271 where: bonds (distance) C4'-P energy: -148.967 bonds (distance) P-C4' energy: -124.917 flat angles C4'-P-C4' energy: -162.980 flat angles P-C4'-P energy: -94.515 tors. eta vs tors. theta energy: -185.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2042.890508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.890508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.890508 (E_RNA) where: Base-Base interactions energy: -1363.585 where: short stacking energy: -586.303 Base-Backbone interact. energy: 1.755 local terms energy: -681.060096 where: bonds (distance) C4'-P energy: -133.452 bonds (distance) P-C4' energy: -139.698 flat angles C4'-P-C4' energy: -147.456 flat angles P-C4'-P energy: -110.416 tors. eta vs tors. theta energy: -150.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2018.314419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.314419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.314419 (E_RNA) where: Base-Base interactions energy: -1362.120 where: short stacking energy: -599.182 Base-Backbone interact. energy: -0.268 local terms energy: -655.926017 where: bonds (distance) C4'-P energy: -118.231 bonds (distance) P-C4' energy: -133.266 flat angles C4'-P-C4' energy: -148.342 flat angles P-C4'-P energy: -107.668 tors. eta vs tors. theta energy: -148.419 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: 6 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1753.043744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.043744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.043744 (E_RNA) where: Base-Base interactions energy: -1146.341 where: short stacking energy: -506.174 Base-Backbone interact. energy: -3.015 local terms energy: -603.688289 where: bonds (distance) C4'-P energy: -124.205 bonds (distance) P-C4' energy: -121.119 flat angles C4'-P-C4' energy: -133.403 flat angles P-C4'-P energy: -91.802 tors. eta vs tors. theta energy: -133.160 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: 2 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1658.251649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.251649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.251649 (E_RNA) where: Base-Base interactions energy: -1089.534 where: short stacking energy: -484.545 Base-Backbone interact. energy: -2.174 local terms energy: -566.543219 where: bonds (distance) C4'-P energy: -124.743 bonds (distance) P-C4' energy: -122.584 flat angles C4'-P-C4' energy: -122.051 flat angles P-C4'-P energy: -77.925 tors. eta vs tors. theta energy: -119.240 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: 9, replica: 5 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1042.200068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.200068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.200068 (E_RNA) where: Base-Base interactions energy: -583.078 where: short stacking energy: -281.265 Base-Backbone interact. energy: -3.890 local terms energy: -455.231578 where: bonds (distance) C4'-P energy: -132.351 bonds (distance) P-C4' energy: -106.087 flat angles C4'-P-C4' energy: -125.034 flat angles P-C4'-P energy: -70.539 tors. eta vs tors. theta energy: -21.221 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: 10, replica: 9 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -699.879842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.879842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.879842 (E_RNA) where: Base-Base interactions energy: -295.804 where: short stacking energy: -216.694 Base-Backbone interact. energy: -2.939 local terms energy: -401.137033 where: bonds (distance) C4'-P energy: -110.506 bonds (distance) P-C4' energy: -123.563 flat angles C4'-P-C4' energy: -116.590 flat angles P-C4'-P energy: -49.747 tors. eta vs tors. theta energy: -0.731 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: 1, replica: 8 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2573.738249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.738249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.738249 (E_RNA) where: Base-Base interactions energy: -1770.459 where: short stacking energy: -751.512 Base-Backbone interact. energy: -4.306 local terms energy: -798.973302 where: bonds (distance) C4'-P energy: -138.868 bonds (distance) P-C4' energy: -152.481 flat angles C4'-P-C4' energy: -176.261 flat angles P-C4'-P energy: -111.085 tors. eta vs tors. theta energy: -220.278 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: 2, replica: 4 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2569.572932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.572932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.572932 (E_RNA) where: Base-Base interactions energy: -1776.681 where: short stacking energy: -765.935 Base-Backbone interact. energy: -2.192 local terms energy: -790.700881 where: bonds (distance) C4'-P energy: -150.439 bonds (distance) P-C4' energy: -131.995 flat angles C4'-P-C4' energy: -173.672 flat angles P-C4'-P energy: -111.737 tors. eta vs tors. theta energy: -222.858 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: 3, replica: 7 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2395.642477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.642477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.642477 (E_RNA) where: Base-Base interactions energy: -1646.903 where: short stacking energy: -709.624 Base-Backbone interact. energy: -3.702 local terms energy: -745.037490 where: bonds (distance) C4'-P energy: -139.035 bonds (distance) P-C4' energy: -140.872 flat angles C4'-P-C4' energy: -160.324 flat angles P-C4'-P energy: -94.994 tors. eta vs tors. theta energy: -209.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2243.897906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.897906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.897906 (E_RNA) where: Base-Base interactions energy: -1489.684 where: short stacking energy: -673.503 Base-Backbone interact. energy: -1.427 local terms energy: -752.787234 where: bonds (distance) C4'-P energy: -153.682 bonds (distance) P-C4' energy: -136.168 flat angles C4'-P-C4' energy: -169.815 flat angles P-C4'-P energy: -109.526 tors. eta vs tors. theta energy: -183.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2104.212072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.212072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.212072 (E_RNA) where: Base-Base interactions energy: -1443.679 where: short stacking energy: -616.574 Base-Backbone interact. energy: -0.801 local terms energy: -659.732031 where: bonds (distance) C4'-P energy: -131.851 bonds (distance) P-C4' energy: -128.525 flat angles C4'-P-C4' energy: -159.503 flat angles P-C4'-P energy: -84.079 tors. eta vs tors. theta energy: -155.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2004.208398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.208398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.208398 (E_RNA) where: Base-Base interactions energy: -1332.585 where: short stacking energy: -598.076 Base-Backbone interact. energy: -2.417 local terms energy: -669.205652 where: bonds (distance) C4'-P energy: -123.347 bonds (distance) P-C4' energy: -123.092 flat angles C4'-P-C4' energy: -152.713 flat angles P-C4'-P energy: -109.027 tors. eta vs tors. theta energy: -161.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1763.880370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.880370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.880370 (E_RNA) where: Base-Base interactions energy: -1167.120 where: short stacking energy: -512.495 Base-Backbone interact. energy: -0.935 local terms energy: -595.825820 where: bonds (distance) C4'-P energy: -114.982 bonds (distance) P-C4' energy: -136.559 flat angles C4'-P-C4' energy: -141.250 flat angles P-C4'-P energy: -90.295 tors. eta vs tors. theta energy: -112.740 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: 8, replica: 2 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1610.290860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.290860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.290860 (E_RNA) where: Base-Base interactions energy: -1065.774 where: short stacking energy: -454.251 Base-Backbone interact. energy: -1.252 local terms energy: -543.264975 where: bonds (distance) C4'-P energy: -115.016 bonds (distance) P-C4' energy: -124.508 flat angles C4'-P-C4' energy: -130.663 flat angles P-C4'-P energy: -69.061 tors. eta vs tors. theta energy: -104.018 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: 5 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1053.814731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.814731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.814731 (E_RNA) where: Base-Base interactions energy: -591.268 where: short stacking energy: -315.948 Base-Backbone interact. energy: -0.091 local terms energy: -462.456073 where: bonds (distance) C4'-P energy: -124.193 bonds (distance) P-C4' energy: -122.307 flat angles C4'-P-C4' energy: -115.189 flat angles P-C4'-P energy: -62.360 tors. eta vs tors. theta energy: -38.407 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: 10, replica: 9 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -641.760974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.760974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.760974 (E_RNA) where: Base-Base interactions energy: -222.339 where: short stacking energy: -147.201 Base-Backbone interact. energy: -2.441 local terms energy: -416.981204 where: bonds (distance) C4'-P energy: -134.650 bonds (distance) P-C4' energy: -130.944 flat angles C4'-P-C4' energy: -113.364 flat angles P-C4'-P energy: -61.850 tors. eta vs tors. theta energy: 23.826 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: 8 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2596.138525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.138525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.138525 (E_RNA) where: Base-Base interactions energy: -1805.438 where: short stacking energy: -778.010 Base-Backbone interact. energy: -1.965 local terms energy: -788.736004 where: bonds (distance) C4'-P energy: -152.966 bonds (distance) P-C4' energy: -144.001 flat angles C4'-P-C4' energy: -167.469 flat angles P-C4'-P energy: -104.693 tors. eta vs tors. theta energy: -219.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2528.241030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.241030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.241030 (E_RNA) where: Base-Base interactions energy: -1748.642 where: short stacking energy: -731.077 Base-Backbone interact. energy: -3.993 local terms energy: -775.605957 where: bonds (distance) C4'-P energy: -137.261 bonds (distance) P-C4' energy: -145.967 flat angles C4'-P-C4' energy: -158.081 flat angles P-C4'-P energy: -119.713 tors. eta vs tors. theta energy: -214.583 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: 3, replica: 7 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2396.399803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.399803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.399803 (E_RNA) where: Base-Base interactions energy: -1617.396 where: short stacking energy: -693.119 Base-Backbone interact. energy: -3.442 local terms energy: -775.562087 where: bonds (distance) C4'-P energy: -152.315 bonds (distance) P-C4' energy: -141.425 flat angles C4'-P-C4' energy: -157.944 flat angles P-C4'-P energy: -114.139 tors. eta vs tors. theta energy: -209.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2269.389293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.389293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.389293 (E_RNA) where: Base-Base interactions energy: -1563.836 where: short stacking energy: -659.888 Base-Backbone interact. energy: -1.097 local terms energy: -704.456964 where: bonds (distance) C4'-P energy: -141.254 bonds (distance) P-C4' energy: -125.896 flat angles C4'-P-C4' energy: -154.533 flat angles P-C4'-P energy: -88.011 tors. eta vs tors. theta energy: -194.763 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: 3 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2125.986429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.986429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.986429 (E_RNA) where: Base-Base interactions energy: -1445.779 where: short stacking energy: -610.649 Base-Backbone interact. energy: -4.195 local terms energy: -676.012353 where: bonds (distance) C4'-P energy: -129.980 bonds (distance) P-C4' energy: -131.810 flat angles C4'-P-C4' energy: -140.791 flat angles P-C4'-P energy: -103.137 tors. eta vs tors. theta energy: -170.294 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: 10 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1967.259396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.259396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.259396 (E_RNA) where: Base-Base interactions energy: -1320.486 where: short stacking energy: -603.730 Base-Backbone interact. energy: -1.596 local terms energy: -645.177463 where: bonds (distance) C4'-P energy: -105.199 bonds (distance) P-C4' energy: -148.321 flat angles C4'-P-C4' energy: -155.076 flat angles P-C4'-P energy: -77.229 tors. eta vs tors. theta energy: -159.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1793.386529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.386529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.386529 (E_RNA) where: Base-Base interactions energy: -1199.984 where: short stacking energy: -530.342 Base-Backbone interact. energy: -1.880 local terms energy: -591.521886 where: bonds (distance) C4'-P energy: -117.911 bonds (distance) P-C4' energy: -133.927 flat angles C4'-P-C4' energy: -128.215 flat angles P-C4'-P energy: -88.494 tors. eta vs tors. theta energy: -122.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1609.851070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.851070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.851070 (E_RNA) where: Base-Base interactions energy: -1060.949 where: short stacking energy: -480.334 Base-Backbone interact. energy: -2.240 local terms energy: -546.662051 where: bonds (distance) C4'-P energy: -133.725 bonds (distance) P-C4' energy: -120.005 flat angles C4'-P-C4' energy: -117.298 flat angles P-C4'-P energy: -79.334 tors. eta vs tors. theta energy: -96.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1025.462547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.462547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.462547 (E_RNA) where: Base-Base interactions energy: -571.477 where: short stacking energy: -297.673 Base-Backbone interact. energy: -1.226 local terms energy: -452.759761 where: bonds (distance) C4'-P energy: -126.233 bonds (distance) P-C4' energy: -138.986 flat angles C4'-P-C4' energy: -106.288 flat angles P-C4'-P energy: -52.602 tors. eta vs tors. theta energy: -28.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -653.349148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.349148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.349148 (E_RNA) where: Base-Base interactions energy: -284.000 where: short stacking energy: -200.640 Base-Backbone interact. energy: 2.296 local terms energy: -371.645110 where: bonds (distance) C4'-P energy: -115.160 bonds (distance) P-C4' energy: -118.682 flat angles C4'-P-C4' energy: -100.104 flat angles P-C4'-P energy: -54.125 tors. eta vs tors. theta energy: 16.426 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: 4 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2585.152787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.152787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.152787 (E_RNA) where: Base-Base interactions energy: -1787.409 where: short stacking energy: -791.672 Base-Backbone interact. energy: -1.974 local terms energy: -795.769988 where: bonds (distance) C4'-P energy: -130.537 bonds (distance) P-C4' energy: -163.073 flat angles C4'-P-C4' energy: -170.588 flat angles P-C4'-P energy: -105.962 tors. eta vs tors. theta energy: -225.610 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: 8 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2537.158807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.158807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.158807 (E_RNA) where: Base-Base interactions energy: -1749.098 where: short stacking energy: -751.433 Base-Backbone interact. energy: -2.265 local terms energy: -785.796231 where: bonds (distance) C4'-P energy: -146.925 bonds (distance) P-C4' energy: -139.504 flat angles C4'-P-C4' energy: -162.712 flat angles P-C4'-P energy: -120.240 tors. eta vs tors. theta energy: -216.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2362.100097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.100097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.100097 (E_RNA) where: Base-Base interactions energy: -1615.564 where: short stacking energy: -684.267 Base-Backbone interact. energy: 0.766 local terms energy: -747.302455 where: bonds (distance) C4'-P energy: -134.863 bonds (distance) P-C4' energy: -145.724 flat angles C4'-P-C4' energy: -160.526 flat angles P-C4'-P energy: -110.829 tors. eta vs tors. theta energy: -195.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2275.078707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.078707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.078707 (E_RNA) where: Base-Base interactions energy: -1570.401 where: short stacking energy: -685.528 Base-Backbone interact. energy: -0.752 local terms energy: -703.925302 where: bonds (distance) C4'-P energy: -106.877 bonds (distance) P-C4' energy: -130.797 flat angles C4'-P-C4' energy: -168.580 flat angles P-C4'-P energy: -92.555 tors. eta vs tors. theta energy: -205.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2080.236076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.236076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.236076 (E_RNA) where: Base-Base interactions energy: -1427.612 where: short stacking energy: -593.261 Base-Backbone interact. energy: -0.150 local terms energy: -652.474617 where: bonds (distance) C4'-P energy: -139.225 bonds (distance) P-C4' energy: -149.137 flat angles C4'-P-C4' energy: -145.444 flat angles P-C4'-P energy: -75.522 tors. eta vs tors. theta energy: -143.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1946.906537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.906537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.906537 (E_RNA) where: Base-Base interactions energy: -1312.978 where: short stacking energy: -577.156 Base-Backbone interact. energy: -4.053 local terms energy: -629.875563 where: bonds (distance) C4'-P energy: -126.471 bonds (distance) P-C4' energy: -126.471 flat angles C4'-P-C4' energy: -135.059 flat angles P-C4'-P energy: -86.578 tors. eta vs tors. theta energy: -155.297 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: 6 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1824.236089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.236089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.236089 (E_RNA) where: Base-Base interactions energy: -1231.498 where: short stacking energy: -530.661 Base-Backbone interact. energy: 1.899 local terms energy: -594.637932 where: bonds (distance) C4'-P energy: -112.212 bonds (distance) P-C4' energy: -120.825 flat angles C4'-P-C4' energy: -135.734 flat angles P-C4'-P energy: -95.765 tors. eta vs tors. theta energy: -130.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1552.617754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.617754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.617754 (E_RNA) where: Base-Base interactions energy: -1005.467 where: short stacking energy: -448.500 Base-Backbone interact. energy: 1.015 local terms energy: -548.166043 where: bonds (distance) C4'-P energy: -123.371 bonds (distance) P-C4' energy: -129.419 flat angles C4'-P-C4' energy: -121.530 flat angles P-C4'-P energy: -82.228 tors. eta vs tors. theta energy: -91.618 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: 5 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1085.783374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.783374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.783374 (E_RNA) where: Base-Base interactions energy: -651.965 where: short stacking energy: -308.441 Base-Backbone interact. energy: -0.949 local terms energy: -432.869706 where: bonds (distance) C4'-P energy: -131.950 bonds (distance) P-C4' energy: -114.688 flat angles C4'-P-C4' energy: -99.136 flat angles P-C4'-P energy: -61.112 tors. eta vs tors. theta energy: -25.982 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: 10, replica: 9 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -646.127500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.127500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.127500 (E_RNA) where: Base-Base interactions energy: -253.347 where: short stacking energy: -186.867 Base-Backbone interact. energy: 3.798 local terms energy: -396.578589 where: bonds (distance) C4'-P energy: -129.471 bonds (distance) P-C4' energy: -116.466 flat angles C4'-P-C4' energy: -114.132 flat angles P-C4'-P energy: -50.807 tors. eta vs tors. theta energy: 14.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2604.409899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.409899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.409899 (E_RNA) where: Base-Base interactions energy: -1827.085 where: short stacking energy: -810.731 Base-Backbone interact. energy: -3.686 local terms energy: -773.638758 where: bonds (distance) C4'-P energy: -132.770 bonds (distance) P-C4' energy: -142.839 flat angles C4'-P-C4' energy: -174.589 flat angles P-C4'-P energy: -96.784 tors. eta vs tors. theta energy: -226.657 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: 2, replica: 8 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2534.194540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.194540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.194540 (E_RNA) where: Base-Base interactions energy: -1733.366 where: short stacking energy: -753.512 Base-Backbone interact. energy: -4.283 local terms energy: -796.545524 where: bonds (distance) C4'-P energy: -145.464 bonds (distance) P-C4' energy: -149.918 flat angles C4'-P-C4' energy: -167.649 flat angles P-C4'-P energy: -118.919 tors. eta vs tors. theta energy: -214.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2382.851136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.851136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.851136 (E_RNA) where: Base-Base interactions energy: -1601.491 where: short stacking energy: -705.581 Base-Backbone interact. energy: -2.943 local terms energy: -778.417263 where: bonds (distance) C4'-P energy: -150.481 bonds (distance) P-C4' energy: -148.923 flat angles C4'-P-C4' energy: -166.140 flat angles P-C4'-P energy: -116.876 tors. eta vs tors. theta energy: -195.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2302.637829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.637829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.637829 (E_RNA) where: Base-Base interactions energy: -1573.473 where: short stacking energy: -686.611 Base-Backbone interact. energy: -1.474 local terms energy: -727.690811 where: bonds (distance) C4'-P energy: -137.454 bonds (distance) P-C4' energy: -140.202 flat angles C4'-P-C4' energy: -161.716 flat angles P-C4'-P energy: -97.762 tors. eta vs tors. theta energy: -190.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2082.189329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.189329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.189329 (E_RNA) where: Base-Base interactions energy: -1399.497 where: short stacking energy: -590.125 Base-Backbone interact. energy: -3.892 local terms energy: -678.800747 where: bonds (distance) C4'-P energy: -150.306 bonds (distance) P-C4' energy: -120.485 flat angles C4'-P-C4' energy: -154.074 flat angles P-C4'-P energy: -91.866 tors. eta vs tors. theta energy: -162.069 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: 10 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1923.663276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.663276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.663276 (E_RNA) where: Base-Base interactions energy: -1265.888 where: short stacking energy: -565.478 Base-Backbone interact. energy: -0.491 local terms energy: -657.284276 where: bonds (distance) C4'-P energy: -133.488 bonds (distance) P-C4' energy: -138.155 flat angles C4'-P-C4' energy: -140.736 flat angles P-C4'-P energy: -92.592 tors. eta vs tors. theta energy: -152.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1732.596797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.596797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.596797 (E_RNA) where: Base-Base interactions energy: -1148.771 where: short stacking energy: -487.897 Base-Backbone interact. energy: -3.916 local terms energy: -579.909597 where: bonds (distance) C4'-P energy: -133.887 bonds (distance) P-C4' energy: -123.306 flat angles C4'-P-C4' energy: -137.299 flat angles P-C4'-P energy: -81.417 tors. eta vs tors. theta energy: -104.001 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: 2 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1572.150018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.150018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.150018 (E_RNA) where: Base-Base interactions energy: -1027.393 where: short stacking energy: -460.359 Base-Backbone interact. energy: -0.848 local terms energy: -543.909318 where: bonds (distance) C4'-P energy: -125.532 bonds (distance) P-C4' energy: -129.207 flat angles C4'-P-C4' energy: -110.859 flat angles P-C4'-P energy: -84.512 tors. eta vs tors. theta energy: -93.800 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: 5 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1204.314011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.314011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.314011 (E_RNA) where: Base-Base interactions energy: -747.704 where: short stacking energy: -318.270 Base-Backbone interact. energy: -3.257 local terms energy: -453.353084 where: bonds (distance) C4'-P energy: -109.439 bonds (distance) P-C4' energy: -128.916 flat angles C4'-P-C4' energy: -117.693 flat angles P-C4'-P energy: -64.046 tors. eta vs tors. theta energy: -33.259 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: 329 Temperature: 1.350000 Total energy: -622.840599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.840599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.840599 (E_RNA) where: Base-Base interactions energy: -267.141 where: short stacking energy: -180.944 Base-Backbone interact. energy: 6.903 local terms energy: -362.602998 where: bonds (distance) C4'-P energy: -110.400 bonds (distance) P-C4' energy: -116.079 flat angles C4'-P-C4' energy: -105.955 flat angles P-C4'-P energy: -56.739 tors. eta vs tors. theta energy: 26.570 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: 4 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2605.405958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.405958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.405958 (E_RNA) where: Base-Base interactions energy: -1790.825 where: short stacking energy: -752.889 Base-Backbone interact. energy: -0.159 local terms energy: -814.422097 where: bonds (distance) C4'-P energy: -157.882 bonds (distance) P-C4' energy: -159.749 flat angles C4'-P-C4' energy: -159.840 flat angles P-C4'-P energy: -117.866 tors. eta vs tors. theta energy: -219.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2510.199824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.199824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.199824 (E_RNA) where: Base-Base interactions energy: -1737.056 where: short stacking energy: -719.401 Base-Backbone interact. energy: -0.750 local terms energy: -772.394112 where: bonds (distance) C4'-P energy: -147.545 bonds (distance) P-C4' energy: -143.423 flat angles C4'-P-C4' energy: -166.621 flat angles P-C4'-P energy: -111.660 tors. eta vs tors. theta energy: -203.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2391.217537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.217537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.217537 (E_RNA) where: Base-Base interactions energy: -1621.584 where: short stacking energy: -720.196 Base-Backbone interact. energy: -2.362 local terms energy: -767.271571 where: bonds (distance) C4'-P energy: -147.881 bonds (distance) P-C4' energy: -142.782 flat angles C4'-P-C4' energy: -156.814 flat angles P-C4'-P energy: -110.708 tors. eta vs tors. theta energy: -209.086 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: 1 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2274.112779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.112779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.112779 (E_RNA) where: Base-Base interactions energy: -1539.439 where: short stacking energy: -691.259 Base-Backbone interact. energy: -1.779 local terms energy: -732.895415 where: bonds (distance) C4'-P energy: -149.343 bonds (distance) P-C4' energy: -141.544 flat angles C4'-P-C4' energy: -153.825 flat angles P-C4'-P energy: -104.084 tors. eta vs tors. theta energy: -184.100 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: 3 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2135.955815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.955815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.955815 (E_RNA) where: Base-Base interactions energy: -1458.659 where: short stacking energy: -621.517 Base-Backbone interact. energy: -1.970 local terms energy: -675.326639 where: bonds (distance) C4'-P energy: -107.708 bonds (distance) P-C4' energy: -145.771 flat angles C4'-P-C4' energy: -149.869 flat angles P-C4'-P energy: -96.298 tors. eta vs tors. theta energy: -175.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1939.750329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.750329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.750329 (E_RNA) where: Base-Base interactions energy: -1289.488 where: short stacking energy: -555.254 Base-Backbone interact. energy: -0.477 local terms energy: -649.785261 where: bonds (distance) C4'-P energy: -121.800 bonds (distance) P-C4' energy: -130.180 flat angles C4'-P-C4' energy: -144.027 flat angles P-C4'-P energy: -85.330 tors. eta vs tors. theta energy: -168.448 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: 330 Temperature: 1.200000 Total energy: -1751.517379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.517379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.517379 (E_RNA) where: Base-Base interactions energy: -1168.695 where: short stacking energy: -516.174 Base-Backbone interact. energy: 1.178 local terms energy: -584.000903 where: bonds (distance) C4'-P energy: -127.167 bonds (distance) P-C4' energy: -137.792 flat angles C4'-P-C4' energy: -121.648 flat angles P-C4'-P energy: -92.107 tors. eta vs tors. theta energy: -105.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1571.665580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.665580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.665580 (E_RNA) where: Base-Base interactions energy: -1076.442 where: short stacking energy: -421.135 Base-Backbone interact. energy: 0.419 local terms energy: -495.642256 where: bonds (distance) C4'-P energy: -121.679 bonds (distance) P-C4' energy: -103.777 flat angles C4'-P-C4' energy: -121.180 flat angles P-C4'-P energy: -57.575 tors. eta vs tors. theta energy: -91.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1171.794946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.794946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.794946 (E_RNA) where: Base-Base interactions energy: -676.038 where: short stacking energy: -312.743 Base-Backbone interact. energy: -0.591 local terms energy: -495.166141 where: bonds (distance) C4'-P energy: -119.416 bonds (distance) P-C4' energy: -134.995 flat angles C4'-P-C4' energy: -127.056 flat angles P-C4'-P energy: -83.730 tors. eta vs tors. theta energy: -29.969 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: 9 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -656.327509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.327509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.327509 (E_RNA) where: Base-Base interactions energy: -295.355 where: short stacking energy: -184.310 Base-Backbone interact. energy: 2.392 local terms energy: -363.364367 where: bonds (distance) C4'-P energy: -117.467 bonds (distance) P-C4' energy: -131.917 flat angles C4'-P-C4' energy: -99.535 flat angles P-C4'-P energy: -61.562 tors. eta vs tors. theta energy: 47.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2666.893928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.893928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.893928 (E_RNA) where: Base-Base interactions energy: -1814.779 where: short stacking energy: -794.454 Base-Backbone interact. energy: -3.705 local terms energy: -848.410155 where: bonds (distance) C4'-P energy: -152.175 bonds (distance) P-C4' energy: -156.136 flat angles C4'-P-C4' energy: -185.282 flat angles P-C4'-P energy: -124.215 tors. eta vs tors. theta energy: -230.602 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: 2, replica: 8 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2504.523553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.523553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.523553 (E_RNA) where: Base-Base interactions energy: -1689.525 where: short stacking energy: -737.532 Base-Backbone interact. energy: -1.897 local terms energy: -813.101709 where: bonds (distance) C4'-P energy: -145.478 bonds (distance) P-C4' energy: -153.319 flat angles C4'-P-C4' energy: -175.642 flat angles P-C4'-P energy: -123.696 tors. eta vs tors. theta energy: -214.967 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: 3, replica: 7 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2391.842604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.842604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.842604 (E_RNA) where: Base-Base interactions energy: -1642.546 where: short stacking energy: -710.664 Base-Backbone interact. energy: -4.349 local terms energy: -744.947735 where: bonds (distance) C4'-P energy: -137.136 bonds (distance) P-C4' energy: -126.560 flat angles C4'-P-C4' energy: -170.015 flat angles P-C4'-P energy: -105.686 tors. eta vs tors. theta energy: -205.551 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: 1 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2302.368085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.368085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.368085 (E_RNA) where: Base-Base interactions energy: -1546.852 where: short stacking energy: -685.880 Base-Backbone interact. energy: -3.769 local terms energy: -751.747708 where: bonds (distance) C4'-P energy: -140.952 bonds (distance) P-C4' energy: -135.021 flat angles C4'-P-C4' energy: -150.059 flat angles P-C4'-P energy: -117.123 tors. eta vs tors. theta energy: -208.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2113.508719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.508719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.508719 (E_RNA) where: Base-Base interactions energy: -1417.714 where: short stacking energy: -625.207 Base-Backbone interact. energy: -3.750 local terms energy: -692.044903 where: bonds (distance) C4'-P energy: -112.347 bonds (distance) P-C4' energy: -141.276 flat angles C4'-P-C4' energy: -159.463 flat angles P-C4'-P energy: -105.580 tors. eta vs tors. theta energy: -173.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1921.832768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.832768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.832768 (E_RNA) where: Base-Base interactions energy: -1279.242 where: short stacking energy: -578.740 Base-Backbone interact. energy: -2.172 local terms energy: -640.418620 where: bonds (distance) C4'-P energy: -140.291 bonds (distance) P-C4' energy: -130.043 flat angles C4'-P-C4' energy: -143.706 flat angles P-C4'-P energy: -75.013 tors. eta vs tors. theta energy: -151.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1767.797942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.797942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.797942 (E_RNA) where: Base-Base interactions energy: -1189.798 where: short stacking energy: -503.153 Base-Backbone interact. energy: -0.400 local terms energy: -577.600526 where: bonds (distance) C4'-P energy: -121.285 bonds (distance) P-C4' energy: -142.787 flat angles C4'-P-C4' energy: -129.875 flat angles P-C4'-P energy: -74.150 tors. eta vs tors. theta energy: -109.503 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: 2 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1577.666311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.666311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.666311 (E_RNA) where: Base-Base interactions energy: -1031.592 where: short stacking energy: -451.265 Base-Backbone interact. energy: 2.351 local terms energy: -548.425045 where: bonds (distance) C4'-P energy: -122.061 bonds (distance) P-C4' energy: -128.502 flat angles C4'-P-C4' energy: -131.628 flat angles P-C4'-P energy: -82.199 tors. eta vs tors. theta energy: -84.034 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: 5 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1121.991581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.991581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.991581 (E_RNA) where: Base-Base interactions energy: -676.744 where: short stacking energy: -313.166 Base-Backbone interact. energy: 4.697 local terms energy: -449.944092 where: bonds (distance) C4'-P energy: -125.451 bonds (distance) P-C4' energy: -97.315 flat angles C4'-P-C4' energy: -131.845 flat angles P-C4'-P energy: -73.376 tors. eta vs tors. theta energy: -21.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -628.004538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.004538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.004538 (E_RNA) where: Base-Base interactions energy: -263.748 where: short stacking energy: -197.928 Base-Backbone interact. energy: 1.873 local terms energy: -366.129542 where: bonds (distance) C4'-P energy: -112.578 bonds (distance) P-C4' energy: -120.871 flat angles C4'-P-C4' energy: -93.248 flat angles P-C4'-P energy: -47.180 tors. eta vs tors. theta energy: 7.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2611.050510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.050510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.050510 (E_RNA) where: Base-Base interactions energy: -1809.290 where: short stacking energy: -801.665 Base-Backbone interact. energy: -4.290 local terms energy: -797.470387 where: bonds (distance) C4'-P energy: -137.398 bonds (distance) P-C4' energy: -150.566 flat angles C4'-P-C4' energy: -171.232 flat angles P-C4'-P energy: -109.608 tors. eta vs tors. theta energy: -228.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2535.820070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.820070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.820070 (E_RNA) where: Base-Base interactions energy: -1742.764 where: short stacking energy: -744.106 Base-Backbone interact. energy: -0.580 local terms energy: -792.476266 where: bonds (distance) C4'-P energy: -154.076 bonds (distance) P-C4' energy: -152.119 flat angles C4'-P-C4' energy: -163.239 flat angles P-C4'-P energy: -113.575 tors. eta vs tors. theta energy: -209.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2381.694540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.694540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.694540 (E_RNA) where: Base-Base interactions energy: -1603.071 where: short stacking energy: -691.147 Base-Backbone interact. energy: -3.291 local terms energy: -775.332520 where: bonds (distance) C4'-P energy: -145.676 bonds (distance) P-C4' energy: -143.347 flat angles C4'-P-C4' energy: -176.468 flat angles P-C4'-P energy: -105.436 tors. eta vs tors. theta energy: -204.405 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: 4, replica: 1 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2277.076908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.076908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.076908 (E_RNA) where: Base-Base interactions energy: -1582.099 where: short stacking energy: -674.287 Base-Backbone interact. energy: 2.316 local terms energy: -697.294430 where: bonds (distance) C4'-P energy: -135.743 bonds (distance) P-C4' energy: -131.468 flat angles C4'-P-C4' energy: -137.449 flat angles P-C4'-P energy: -102.070 tors. eta vs tors. theta energy: -190.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2104.192857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.192857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.192857 (E_RNA) where: Base-Base interactions energy: -1439.229 where: short stacking energy: -622.226 Base-Backbone interact. energy: -2.307 local terms energy: -662.657295 where: bonds (distance) C4'-P energy: -122.742 bonds (distance) P-C4' energy: -130.242 flat angles C4'-P-C4' energy: -131.129 flat angles P-C4'-P energy: -118.193 tors. eta vs tors. theta energy: -160.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1846.098513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.098513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.098513 (E_RNA) where: Base-Base interactions energy: -1203.822 where: short stacking energy: -534.968 Base-Backbone interact. energy: -1.910 local terms energy: -640.367238 where: bonds (distance) C4'-P energy: -122.847 bonds (distance) P-C4' energy: -135.507 flat angles C4'-P-C4' energy: -149.796 flat angles P-C4'-P energy: -92.698 tors. eta vs tors. theta energy: -139.521 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: 332 Temperature: 1.200000 Total energy: -1748.296919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.296919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.296919 (E_RNA) where: Base-Base interactions energy: -1153.657 where: short stacking energy: -471.371 Base-Backbone interact. energy: 0.363 local terms energy: -595.003255 where: bonds (distance) C4'-P energy: -115.154 bonds (distance) P-C4' energy: -134.047 flat angles C4'-P-C4' energy: -140.382 flat angles P-C4'-P energy: -91.052 tors. eta vs tors. theta energy: -114.367 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: 8, replica: 2 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1506.542252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.542252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.542252 (E_RNA) where: Base-Base interactions energy: -958.385 where: short stacking energy: -419.354 Base-Backbone interact. energy: -2.429 local terms energy: -545.728591 where: bonds (distance) C4'-P energy: -144.852 bonds (distance) P-C4' energy: -138.821 flat angles C4'-P-C4' energy: -125.436 flat angles P-C4'-P energy: -46.512 tors. eta vs tors. theta energy: -90.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1150.010241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.010241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.010241 (E_RNA) where: Base-Base interactions energy: -701.301 where: short stacking energy: -308.253 Base-Backbone interact. energy: 3.484 local terms energy: -452.192848 where: bonds (distance) C4'-P energy: -111.903 bonds (distance) P-C4' energy: -116.292 flat angles C4'-P-C4' energy: -104.008 flat angles P-C4'-P energy: -83.178 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: 10, replica: 9 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -598.094229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.094229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.094229 (E_RNA) where: Base-Base interactions energy: -228.850 where: short stacking energy: -145.676 Base-Backbone interact. energy: 3.543 local terms energy: -372.786768 where: bonds (distance) C4'-P energy: -102.784 bonds (distance) P-C4' energy: -140.241 flat angles C4'-P-C4' energy: -103.349 flat angles P-C4'-P energy: -56.169 tors. eta vs tors. theta energy: 29.757 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: 4 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2646.035002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.035002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.035002 (E_RNA) where: Base-Base interactions energy: -1857.037 where: short stacking energy: -799.469 Base-Backbone interact. energy: 2.828 local terms energy: -791.825959 where: bonds (distance) C4'-P energy: -136.154 bonds (distance) P-C4' energy: -153.944 flat angles C4'-P-C4' energy: -162.665 flat angles P-C4'-P energy: -114.627 tors. eta vs tors. theta energy: -224.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2535.041711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.041711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.041711 (E_RNA) where: Base-Base interactions energy: -1738.328 where: short stacking energy: -771.256 Base-Backbone interact. energy: -3.418 local terms energy: -793.295643 where: bonds (distance) C4'-P energy: -139.869 bonds (distance) P-C4' energy: -159.429 flat angles C4'-P-C4' energy: -168.686 flat angles P-C4'-P energy: -99.234 tors. eta vs tors. theta energy: -226.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2392.283659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.283659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.283659 (E_RNA) where: Base-Base interactions energy: -1618.954 where: short stacking energy: -709.740 Base-Backbone interact. energy: -5.494 local terms energy: -767.835637 where: bonds (distance) C4'-P energy: -151.618 bonds (distance) P-C4' energy: -134.501 flat angles C4'-P-C4' energy: -159.401 flat angles P-C4'-P energy: -107.080 tors. eta vs tors. theta energy: -215.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2323.401410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.401410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.401410 (E_RNA) where: Base-Base interactions energy: -1611.328 where: short stacking energy: -677.589 Base-Backbone interact. energy: -0.209 local terms energy: -711.863992 where: bonds (distance) C4'-P energy: -132.557 bonds (distance) P-C4' energy: -143.498 flat angles C4'-P-C4' energy: -149.274 flat angles P-C4'-P energy: -99.570 tors. eta vs tors. theta energy: -186.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2136.908526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.908526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.908526 (E_RNA) where: Base-Base interactions energy: -1431.616 where: short stacking energy: -633.931 Base-Backbone interact. energy: 1.215 local terms energy: -706.508311 where: bonds (distance) C4'-P energy: -134.402 bonds (distance) P-C4' energy: -128.673 flat angles C4'-P-C4' energy: -159.985 flat angles P-C4'-P energy: -94.185 tors. eta vs tors. theta energy: -189.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1801.164332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.164332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.164332 (E_RNA) where: Base-Base interactions energy: -1209.742 where: short stacking energy: -535.815 Base-Backbone interact. energy: -1.906 local terms energy: -589.516545 where: bonds (distance) C4'-P energy: -99.817 bonds (distance) P-C4' energy: -126.682 flat angles C4'-P-C4' energy: -137.042 flat angles P-C4'-P energy: -99.787 tors. eta vs tors. theta energy: -126.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1864.827567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.827567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.827567 (E_RNA) where: Base-Base interactions energy: -1234.353 where: short stacking energy: -539.913 Base-Backbone interact. energy: -1.149 local terms energy: -629.325623 where: bonds (distance) C4'-P energy: -137.389 bonds (distance) P-C4' energy: -139.193 flat angles C4'-P-C4' energy: -141.817 flat angles P-C4'-P energy: -81.478 tors. eta vs tors. theta energy: -129.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1556.330365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.330365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.330365 (E_RNA) where: Base-Base interactions energy: -1007.870 where: short stacking energy: -442.617 Base-Backbone interact. energy: -2.110 local terms energy: -546.350997 where: bonds (distance) C4'-P energy: -98.126 bonds (distance) P-C4' energy: -141.290 flat angles C4'-P-C4' energy: -131.931 flat angles P-C4'-P energy: -71.384 tors. eta vs tors. theta energy: -103.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1162.419072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.419072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.419072 (E_RNA) where: Base-Base interactions energy: -705.503 where: short stacking energy: -317.604 Base-Backbone interact. energy: -0.997 local terms energy: -455.918564 where: bonds (distance) C4'-P energy: -91.984 bonds (distance) P-C4' energy: -149.650 flat angles C4'-P-C4' energy: -134.294 flat angles P-C4'-P energy: -43.137 tors. eta vs tors. theta energy: -36.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -612.543334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.543334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.543334 (E_RNA) where: Base-Base interactions energy: -227.439 where: short stacking energy: -191.830 Base-Backbone interact. energy: -4.407 local terms energy: -380.697702 where: bonds (distance) C4'-P energy: -118.896 bonds (distance) P-C4' energy: -121.459 flat angles C4'-P-C4' energy: -84.149 flat angles P-C4'-P energy: -74.171 tors. eta vs tors. theta energy: 17.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2614.387699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.387699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.387699 (E_RNA) where: Base-Base interactions energy: -1823.184 where: short stacking energy: -783.038 Base-Backbone interact. energy: -3.420 local terms energy: -787.783185 where: bonds (distance) C4'-P energy: -147.932 bonds (distance) P-C4' energy: -150.943 flat angles C4'-P-C4' energy: -161.679 flat angles P-C4'-P energy: -109.976 tors. eta vs tors. theta energy: -217.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2543.897429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.897429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.897429 (E_RNA) where: Base-Base interactions energy: -1763.299 where: short stacking energy: -752.061 Base-Backbone interact. energy: -0.307 local terms energy: -780.291466 where: bonds (distance) C4'-P energy: -137.628 bonds (distance) P-C4' energy: -137.938 flat angles C4'-P-C4' energy: -162.149 flat angles P-C4'-P energy: -107.357 tors. eta vs tors. theta energy: -235.219 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: 1 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2363.092131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.092131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.092131 (E_RNA) where: Base-Base interactions energy: -1622.129 where: short stacking energy: -725.522 Base-Backbone interact. energy: 2.528 local terms energy: -743.490908 where: bonds (distance) C4'-P energy: -130.987 bonds (distance) P-C4' energy: -141.749 flat angles C4'-P-C4' energy: -158.817 flat angles P-C4'-P energy: -108.505 tors. eta vs tors. theta energy: -203.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2295.798659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.798659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.798659 (E_RNA) where: Base-Base interactions energy: -1586.602 where: short stacking energy: -670.400 Base-Backbone interact. energy: -4.559 local terms energy: -704.637493 where: bonds (distance) C4'-P energy: -120.096 bonds (distance) P-C4' energy: -130.046 flat angles C4'-P-C4' energy: -148.810 flat angles P-C4'-P energy: -107.209 tors. eta vs tors. theta energy: -198.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2109.446141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.446141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.446141 (E_RNA) where: Base-Base interactions energy: -1399.860 where: short stacking energy: -614.794 Base-Backbone interact. energy: -2.844 local terms energy: -706.741614 where: bonds (distance) C4'-P energy: -126.181 bonds (distance) P-C4' energy: -148.801 flat angles C4'-P-C4' energy: -155.551 flat angles P-C4'-P energy: -100.159 tors. eta vs tors. theta energy: -176.050 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: 334 Temperature: 1.150000 Total energy: -1807.170813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.170813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.170813 (E_RNA) where: Base-Base interactions energy: -1201.419 where: short stacking energy: -554.805 Base-Backbone interact. energy: 0.413 local terms energy: -606.164807 where: bonds (distance) C4'-P energy: -120.470 bonds (distance) P-C4' energy: -128.677 flat angles C4'-P-C4' energy: -127.063 flat angles P-C4'-P energy: -96.791 tors. eta vs tors. theta energy: -133.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1837.810964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.810964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.810964 (E_RNA) where: Base-Base interactions energy: -1222.016 where: short stacking energy: -542.640 Base-Backbone interact. energy: -0.640 local terms energy: -615.155491 where: bonds (distance) C4'-P energy: -128.953 bonds (distance) P-C4' energy: -125.569 flat angles C4'-P-C4' energy: -149.942 flat angles P-C4'-P energy: -67.280 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: 8, replica: 2 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1582.477110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.477110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.477110 (E_RNA) where: Base-Base interactions energy: -1047.945 where: short stacking energy: -439.120 Base-Backbone interact. energy: -1.654 local terms energy: -532.877757 where: bonds (distance) C4'-P energy: -127.766 bonds (distance) P-C4' energy: -117.626 flat angles C4'-P-C4' energy: -127.372 flat angles P-C4'-P energy: -67.929 tors. eta vs tors. theta energy: -92.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1145.871149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.871149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.871149 (E_RNA) where: Base-Base interactions energy: -707.944 where: short stacking energy: -344.048 Base-Backbone interact. energy: 1.970 local terms energy: -439.897639 where: bonds (distance) C4'-P energy: -118.744 bonds (distance) P-C4' energy: -105.313 flat angles C4'-P-C4' energy: -107.481 flat angles P-C4'-P energy: -63.991 tors. eta vs tors. theta energy: -44.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -573.544553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.544553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.544553 (E_RNA) where: Base-Base interactions energy: -172.538 where: short stacking energy: -150.905 Base-Backbone interact. energy: 0.775 local terms energy: -401.781892 where: bonds (distance) C4'-P energy: -134.126 bonds (distance) P-C4' energy: -126.488 flat angles C4'-P-C4' energy: -105.731 flat angles P-C4'-P energy: -62.057 tors. eta vs tors. theta energy: 26.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2656.805901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.805901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.805901 (E_RNA) where: Base-Base interactions energy: -1830.932 where: short stacking energy: -775.656 Base-Backbone interact. energy: -3.786 local terms energy: -822.087162 where: bonds (distance) C4'-P energy: -154.506 bonds (distance) P-C4' energy: -156.068 flat angles C4'-P-C4' energy: -167.506 flat angles P-C4'-P energy: -123.634 tors. eta vs tors. theta energy: -220.373 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: 8 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2561.180747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.180747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.180747 (E_RNA) where: Base-Base interactions energy: -1768.087 where: short stacking energy: -785.721 Base-Backbone interact. energy: -1.596 local terms energy: -791.497475 where: bonds (distance) C4'-P energy: -140.621 bonds (distance) P-C4' energy: -148.100 flat angles C4'-P-C4' energy: -170.033 flat angles P-C4'-P energy: -113.378 tors. eta vs tors. theta energy: -219.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2389.512428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.512428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.512428 (E_RNA) where: Base-Base interactions energy: -1666.116 where: short stacking energy: -714.154 Base-Backbone interact. energy: -1.773 local terms energy: -721.622476 where: bonds (distance) C4'-P energy: -137.507 bonds (distance) P-C4' energy: -141.201 flat angles C4'-P-C4' energy: -160.107 flat angles P-C4'-P energy: -90.229 tors. eta vs tors. theta energy: -192.578 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: 7 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2321.162780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.162780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.162780 (E_RNA) where: Base-Base interactions energy: -1584.868 where: short stacking energy: -683.198 Base-Backbone interact. energy: -1.664 local terms energy: -734.631023 where: bonds (distance) C4'-P energy: -137.541 bonds (distance) P-C4' energy: -137.408 flat angles C4'-P-C4' energy: -160.839 flat angles P-C4'-P energy: -104.470 tors. eta vs tors. theta energy: -194.374 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: 335 Temperature: 1.100000 Total energy: -2097.162909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.162909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.162909 (E_RNA) where: Base-Base interactions energy: -1397.483 where: short stacking energy: -606.907 Base-Backbone interact. energy: 1.249 local terms energy: -700.929423 where: bonds (distance) C4'-P energy: -118.806 bonds (distance) P-C4' energy: -154.460 flat angles C4'-P-C4' energy: -155.937 flat angles P-C4'-P energy: -100.042 tors. eta vs tors. theta energy: -171.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1817.044643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.044643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.044643 (E_RNA) where: Base-Base interactions energy: -1223.252 where: short stacking energy: -540.031 Base-Backbone interact. energy: 0.401 local terms energy: -594.193650 where: bonds (distance) C4'-P energy: -117.504 bonds (distance) P-C4' energy: -137.243 flat angles C4'-P-C4' energy: -122.659 flat angles P-C4'-P energy: -86.490 tors. eta vs tors. theta energy: -130.297 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: 6 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1798.291504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.291504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.291504 (E_RNA) where: Base-Base interactions energy: -1202.382 where: short stacking energy: -536.751 Base-Backbone interact. energy: -2.965 local terms energy: -592.944626 where: bonds (distance) C4'-P energy: -134.366 bonds (distance) P-C4' energy: -124.138 flat angles C4'-P-C4' energy: -121.736 flat angles P-C4'-P energy: -85.821 tors. eta vs tors. theta energy: -126.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1556.470046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.470046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.470046 (E_RNA) where: Base-Base interactions energy: -1019.919 where: short stacking energy: -454.129 Base-Backbone interact. energy: 3.031 local terms energy: -539.581777 where: bonds (distance) C4'-P energy: -109.228 bonds (distance) P-C4' energy: -140.886 flat angles C4'-P-C4' energy: -113.421 flat angles P-C4'-P energy: -72.498 tors. eta vs tors. theta energy: -103.550 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: 5 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1140.312722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.312722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.312722 (E_RNA) where: Base-Base interactions energy: -690.955 where: short stacking energy: -303.997 Base-Backbone interact. energy: 0.617 local terms energy: -449.975644 where: bonds (distance) C4'-P energy: -108.159 bonds (distance) P-C4' energy: -135.556 flat angles C4'-P-C4' energy: -114.985 flat angles P-C4'-P energy: -57.144 tors. eta vs tors. theta energy: -34.133 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: 9 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -609.422604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.422604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.422604 (E_RNA) where: Base-Base interactions energy: -228.711 where: short stacking energy: -194.173 Base-Backbone interact. energy: 1.799 local terms energy: -382.510848 where: bonds (distance) C4'-P energy: -132.996 bonds (distance) P-C4' energy: -122.381 flat angles C4'-P-C4' energy: -99.600 flat angles P-C4'-P energy: -43.649 tors. eta vs tors. theta energy: 16.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2612.880161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.880161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.880161 (E_RNA) where: Base-Base interactions energy: -1823.502 where: short stacking energy: -776.924 Base-Backbone interact. energy: 0.321 local terms energy: -789.699563 where: bonds (distance) C4'-P energy: -131.620 bonds (distance) P-C4' energy: -143.577 flat angles C4'-P-C4' energy: -166.387 flat angles P-C4'-P energy: -120.028 tors. eta vs tors. theta energy: -228.088 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: 8 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2536.479096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.479096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.479096 (E_RNA) where: Base-Base interactions energy: -1758.242 where: short stacking energy: -769.183 Base-Backbone interact. energy: -4.023 local terms energy: -774.213551 where: bonds (distance) C4'-P energy: -146.113 bonds (distance) P-C4' energy: -150.423 flat angles C4'-P-C4' energy: -168.446 flat angles P-C4'-P energy: -92.395 tors. eta vs tors. theta energy: -216.838 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: 1 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2400.542709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.542709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.542709 (E_RNA) where: Base-Base interactions energy: -1646.718 where: short stacking energy: -709.625 Base-Backbone interact. energy: -1.911 local terms energy: -751.913343 where: bonds (distance) C4'-P energy: -149.807 bonds (distance) P-C4' energy: -141.182 flat angles C4'-P-C4' energy: -158.894 flat angles P-C4'-P energy: -107.178 tors. eta vs tors. theta energy: -194.852 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: 7 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2302.495431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.495431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.495431 (E_RNA) where: Base-Base interactions energy: -1582.954 where: short stacking energy: -704.128 Base-Backbone interact. energy: -1.242 local terms energy: -718.300351 where: bonds (distance) C4'-P energy: -117.792 bonds (distance) P-C4' energy: -130.104 flat angles C4'-P-C4' energy: -159.614 flat angles P-C4'-P energy: -111.049 tors. eta vs tors. theta energy: -199.742 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: 3 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2145.712921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.712921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.712921 (E_RNA) where: Base-Base interactions energy: -1482.568 where: short stacking energy: -639.053 Base-Backbone interact. energy: -2.712 local terms energy: -660.432426 where: bonds (distance) C4'-P energy: -121.681 bonds (distance) P-C4' energy: -123.976 flat angles C4'-P-C4' energy: -142.045 flat angles P-C4'-P energy: -87.285 tors. eta vs tors. theta energy: -185.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1836.319781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.319781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.319781 (E_RNA) where: Base-Base interactions energy: -1234.342 where: short stacking energy: -526.284 Base-Backbone interact. energy: -1.661 local terms energy: -600.316520 where: bonds (distance) C4'-P energy: -122.425 bonds (distance) P-C4' energy: -147.384 flat angles C4'-P-C4' energy: -133.244 flat angles P-C4'-P energy: -88.763 tors. eta vs tors. theta energy: -108.501 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: 6 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1786.959042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.959042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.959042 (E_RNA) where: Base-Base interactions energy: -1195.757 where: short stacking energy: -541.125 Base-Backbone interact. energy: -2.441 local terms energy: -588.761542 where: bonds (distance) C4'-P energy: -111.954 bonds (distance) P-C4' energy: -124.483 flat angles C4'-P-C4' energy: -139.387 flat angles P-C4'-P energy: -89.781 tors. eta vs tors. theta energy: -123.157 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: 2 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1576.736626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.736626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.736626 (E_RNA) where: Base-Base interactions energy: -1032.759 where: short stacking energy: -428.661 Base-Backbone interact. energy: 1.314 local terms energy: -545.290937 where: bonds (distance) C4'-P energy: -111.789 bonds (distance) P-C4' energy: -141.470 flat angles C4'-P-C4' energy: -137.072 flat angles P-C4'-P energy: -68.865 tors. eta vs tors. theta energy: -86.095 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: 9, replica: 5 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1176.603846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.603846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.603846 (E_RNA) where: Base-Base interactions energy: -721.825 where: short stacking energy: -352.419 Base-Backbone interact. energy: -1.612 local terms energy: -453.166586 where: bonds (distance) C4'-P energy: -134.333 bonds (distance) P-C4' energy: -124.824 flat angles C4'-P-C4' energy: -94.081 flat angles P-C4'-P energy: -56.699 tors. eta vs tors. theta energy: -43.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -605.041928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.041928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.041928 (E_RNA) where: Base-Base interactions energy: -267.148 where: short stacking energy: -190.734 Base-Backbone interact. energy: 1.662 local terms energy: -339.556062 where: bonds (distance) C4'-P energy: -105.416 bonds (distance) P-C4' energy: -103.143 flat angles C4'-P-C4' energy: -103.244 flat angles P-C4'-P energy: -50.905 tors. eta vs tors. theta energy: 23.153 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: 4 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2636.426126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.426126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.426126 (E_RNA) where: Base-Base interactions energy: -1818.213 where: short stacking energy: -789.937 Base-Backbone interact. energy: 1.110 local terms energy: -819.323590 where: bonds (distance) C4'-P energy: -151.822 bonds (distance) P-C4' energy: -146.885 flat angles C4'-P-C4' energy: -175.864 flat angles P-C4'-P energy: -115.272 tors. eta vs tors. theta energy: -229.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2528.510852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.510852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.510852 (E_RNA) where: Base-Base interactions energy: -1720.605 where: short stacking energy: -778.298 Base-Backbone interact. energy: -1.635 local terms energy: -806.271615 where: bonds (distance) C4'-P energy: -155.649 bonds (distance) P-C4' energy: -129.455 flat angles C4'-P-C4' energy: -176.172 flat angles P-C4'-P energy: -116.724 tors. eta vs tors. theta energy: -228.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2373.125074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.125074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.125074 (E_RNA) where: Base-Base interactions energy: -1634.501 where: short stacking energy: -703.873 Base-Backbone interact. energy: 1.509 local terms energy: -740.133015 where: bonds (distance) C4'-P energy: -131.337 bonds (distance) P-C4' energy: -140.960 flat angles C4'-P-C4' energy: -159.187 flat angles P-C4'-P energy: -109.403 tors. eta vs tors. theta energy: -199.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2231.746581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.746581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.746581 (E_RNA) where: Base-Base interactions energy: -1505.740 where: short stacking energy: -661.497 Base-Backbone interact. energy: 0.521 local terms energy: -726.527440 where: bonds (distance) C4'-P energy: -126.941 bonds (distance) P-C4' energy: -137.688 flat angles C4'-P-C4' energy: -173.244 flat angles P-C4'-P energy: -100.466 tors. eta vs tors. theta energy: -188.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2127.496551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.496551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.496551 (E_RNA) where: Base-Base interactions energy: -1458.268 where: short stacking energy: -638.819 Base-Backbone interact. energy: 3.342 local terms energy: -672.570836 where: bonds (distance) C4'-P energy: -129.725 bonds (distance) P-C4' energy: -132.390 flat angles C4'-P-C4' energy: -146.669 flat angles P-C4'-P energy: -94.916 tors. eta vs tors. theta energy: -168.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1892.799507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.799507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.799507 (E_RNA) where: Base-Base interactions energy: -1268.185 where: short stacking energy: -556.311 Base-Backbone interact. energy: -3.296 local terms energy: -621.318599 where: bonds (distance) C4'-P energy: -119.333 bonds (distance) P-C4' energy: -126.175 flat angles C4'-P-C4' energy: -137.567 flat angles P-C4'-P energy: -87.049 tors. eta vs tors. theta energy: -151.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1720.462237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.462237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.462237 (E_RNA) where: Base-Base interactions energy: -1172.657 where: short stacking energy: -494.440 Base-Backbone interact. energy: -1.539 local terms energy: -546.266325 where: bonds (distance) C4'-P energy: -105.437 bonds (distance) P-C4' energy: -115.124 flat angles C4'-P-C4' energy: -128.781 flat angles P-C4'-P energy: -74.424 tors. eta vs tors. theta energy: -122.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1567.546472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.546472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.546472 (E_RNA) where: Base-Base interactions energy: -981.829 where: short stacking energy: -416.604 Base-Backbone interact. energy: 0.044 local terms energy: -585.760798 where: bonds (distance) C4'-P energy: -134.331 bonds (distance) P-C4' energy: -132.617 flat angles C4'-P-C4' energy: -122.378 flat angles P-C4'-P energy: -86.391 tors. eta vs tors. theta energy: -110.045 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: 5 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1190.749975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.749975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.749975 (E_RNA) where: Base-Base interactions energy: -712.145 where: short stacking energy: -322.922 Base-Backbone interact. energy: -0.122 local terms energy: -478.482814 where: bonds (distance) C4'-P energy: -132.593 bonds (distance) P-C4' energy: -111.631 flat angles C4'-P-C4' energy: -114.663 flat angles P-C4'-P energy: -72.943 tors. eta vs tors. theta energy: -46.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -632.843407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.843407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.843407 (E_RNA) where: Base-Base interactions energy: -255.416 where: short stacking energy: -166.144 Base-Backbone interact. energy: 8.900 local terms energy: -386.327100 where: bonds (distance) C4'-P energy: -113.799 bonds (distance) P-C4' energy: -121.215 flat angles C4'-P-C4' energy: -79.520 flat angles P-C4'-P energy: -72.899 tors. eta vs tors. theta energy: 1.107 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: 4 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2663.302260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.302260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.302260 (E_RNA) where: Base-Base interactions energy: -1837.088 where: short stacking energy: -800.321 Base-Backbone interact. energy: -6.223 local terms energy: -819.991376 where: bonds (distance) C4'-P energy: -154.568 bonds (distance) P-C4' energy: -139.932 flat angles C4'-P-C4' energy: -185.880 flat angles P-C4'-P energy: -106.339 tors. eta vs tors. theta energy: -233.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2505.854425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.854425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.854425 (E_RNA) where: Base-Base interactions energy: -1714.482 where: short stacking energy: -735.098 Base-Backbone interact. energy: 2.842 local terms energy: -794.214025 where: bonds (distance) C4'-P energy: -153.680 bonds (distance) P-C4' energy: -157.196 flat angles C4'-P-C4' energy: -158.658 flat angles P-C4'-P energy: -109.494 tors. eta vs tors. theta energy: -215.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2390.115875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.115875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.115875 (E_RNA) where: Base-Base interactions energy: -1629.922 where: short stacking energy: -714.007 Base-Backbone interact. energy: 3.146 local terms energy: -763.339391 where: bonds (distance) C4'-P energy: -140.784 bonds (distance) P-C4' energy: -148.591 flat angles C4'-P-C4' energy: -167.806 flat angles P-C4'-P energy: -99.847 tors. eta vs tors. theta energy: -206.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2302.952007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.952007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.952007 (E_RNA) where: Base-Base interactions energy: -1563.448 where: short stacking energy: -689.618 Base-Backbone interact. energy: -0.645 local terms energy: -738.859242 where: bonds (distance) C4'-P energy: -131.530 bonds (distance) P-C4' energy: -138.813 flat angles C4'-P-C4' energy: -145.861 flat angles P-C4'-P energy: -105.058 tors. eta vs tors. theta energy: -217.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2120.309018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.309018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.309018 (E_RNA) where: Base-Base interactions energy: -1429.914 where: short stacking energy: -633.422 Base-Backbone interact. energy: -1.565 local terms energy: -688.830195 where: bonds (distance) C4'-P energy: -126.483 bonds (distance) P-C4' energy: -128.058 flat angles C4'-P-C4' energy: -142.792 flat angles P-C4'-P energy: -98.680 tors. eta vs tors. theta energy: -192.818 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: 10 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1954.548742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.548742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.548742 (E_RNA) where: Base-Base interactions energy: -1307.915 where: short stacking energy: -568.420 Base-Backbone interact. energy: -0.045 local terms energy: -646.589209 where: bonds (distance) C4'-P energy: -133.606 bonds (distance) P-C4' energy: -127.359 flat angles C4'-P-C4' energy: -152.897 flat angles P-C4'-P energy: -56.763 tors. eta vs tors. theta energy: -175.965 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: 338 Temperature: 1.200000 Total energy: -1748.501471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.501471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.501471 (E_RNA) where: Base-Base interactions energy: -1156.727 where: short stacking energy: -537.244 Base-Backbone interact. energy: -1.240 local terms energy: -590.534550 where: bonds (distance) C4'-P energy: -119.562 bonds (distance) P-C4' energy: -127.656 flat angles C4'-P-C4' energy: -142.664 flat angles P-C4'-P energy: -94.409 tors. eta vs tors. theta energy: -106.245 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: 8, replica: 2 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1528.028075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.028075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.028075 (E_RNA) where: Base-Base interactions energy: -1002.770 where: short stacking energy: -441.546 Base-Backbone interact. energy: -0.603 local terms energy: -524.655005 where: bonds (distance) C4'-P energy: -114.716 bonds (distance) P-C4' energy: -124.253 flat angles C4'-P-C4' energy: -134.726 flat angles P-C4'-P energy: -60.979 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: 9, replica: 5 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1182.995112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.995112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.995112 (E_RNA) where: Base-Base interactions energy: -725.593 where: short stacking energy: -360.073 Base-Backbone interact. energy: 3.125 local terms energy: -460.526960 where: bonds (distance) C4'-P energy: -106.199 bonds (distance) P-C4' energy: -121.515 flat angles C4'-P-C4' energy: -122.062 flat angles P-C4'-P energy: -61.171 tors. eta vs tors. theta energy: -49.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -651.141546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.141546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.141546 (E_RNA) where: Base-Base interactions energy: -266.708 where: short stacking energy: -150.101 Base-Backbone interact. energy: -4.081 local terms energy: -380.352220 where: bonds (distance) C4'-P energy: -120.513 bonds (distance) P-C4' energy: -98.733 flat angles C4'-P-C4' energy: -111.504 flat angles P-C4'-P energy: -70.753 tors. eta vs tors. theta energy: 21.150 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: 4 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2665.715975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.715975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.715975 (E_RNA) where: Base-Base interactions energy: -1830.420 where: short stacking energy: -780.907 Base-Backbone interact. energy: -3.350 local terms energy: -831.945966 where: bonds (distance) C4'-P energy: -138.048 bonds (distance) P-C4' energy: -161.247 flat angles C4'-P-C4' energy: -174.759 flat angles P-C4'-P energy: -124.266 tors. eta vs tors. theta energy: -233.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2501.494230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.494230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.494230 (E_RNA) where: Base-Base interactions energy: -1699.734 where: short stacking energy: -733.237 Base-Backbone interact. energy: -3.598 local terms energy: -798.162236 where: bonds (distance) C4'-P energy: -138.423 bonds (distance) P-C4' energy: -153.519 flat angles C4'-P-C4' energy: -163.241 flat angles P-C4'-P energy: -114.852 tors. eta vs tors. theta energy: -228.127 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: 1 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2423.403145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.403145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.403145 (E_RNA) where: Base-Base interactions energy: -1710.161 where: short stacking energy: -698.659 Base-Backbone interact. energy: -2.379 local terms energy: -710.863013 where: bonds (distance) C4'-P energy: -119.915 bonds (distance) P-C4' energy: -132.705 flat angles C4'-P-C4' energy: -153.278 flat angles P-C4'-P energy: -108.574 tors. eta vs tors. theta energy: -196.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2301.753575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.753575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.753575 (E_RNA) where: Base-Base interactions energy: -1532.885 where: short stacking energy: -687.744 Base-Backbone interact. energy: -1.846 local terms energy: -767.022345 where: bonds (distance) C4'-P energy: -138.266 bonds (distance) P-C4' energy: -133.263 flat angles C4'-P-C4' energy: -174.391 flat angles P-C4'-P energy: -109.550 tors. eta vs tors. theta energy: -211.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2146.868315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.868315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.868315 (E_RNA) where: Base-Base interactions energy: -1474.106 where: short stacking energy: -616.334 Base-Backbone interact. energy: 6.931 local terms energy: -679.694009 where: bonds (distance) C4'-P energy: -134.525 bonds (distance) P-C4' energy: -137.744 flat angles C4'-P-C4' energy: -137.177 flat angles P-C4'-P energy: -101.753 tors. eta vs tors. theta energy: -168.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1937.761017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.761017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.761017 (E_RNA) where: Base-Base interactions energy: -1279.504 where: short stacking energy: -575.901 Base-Backbone interact. energy: -0.990 local terms energy: -657.267045 where: bonds (distance) C4'-P energy: -131.162 bonds (distance) P-C4' energy: -134.378 flat angles C4'-P-C4' energy: -148.711 flat angles P-C4'-P energy: -94.720 tors. eta vs tors. theta energy: -148.295 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: 6 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1753.622698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.622698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.622698 (E_RNA) where: Base-Base interactions energy: -1177.209 where: short stacking energy: -537.981 Base-Backbone interact. energy: 1.245 local terms energy: -577.659101 where: bonds (distance) C4'-P energy: -123.460 bonds (distance) P-C4' energy: -112.960 flat angles C4'-P-C4' energy: -145.483 flat angles P-C4'-P energy: -63.887 tors. eta vs tors. theta energy: -131.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1493.168959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.168959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.168959 (E_RNA) where: Base-Base interactions energy: -963.912 where: short stacking energy: -455.395 Base-Backbone interact. energy: -0.296 local terms energy: -528.960794 where: bonds (distance) C4'-P energy: -107.048 bonds (distance) P-C4' energy: -125.338 flat angles C4'-P-C4' energy: -110.770 flat angles P-C4'-P energy: -86.164 tors. eta vs tors. theta energy: -99.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1149.682855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.682855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.682855 (E_RNA) where: Base-Base interactions energy: -692.389 where: short stacking energy: -331.332 Base-Backbone interact. energy: -1.874 local terms energy: -455.419987 where: bonds (distance) C4'-P energy: -106.573 bonds (distance) P-C4' energy: -132.491 flat angles C4'-P-C4' energy: -113.619 flat angles P-C4'-P energy: -71.970 tors. eta vs tors. theta energy: -30.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -698.385205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.385205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.385205 (E_RNA) where: Base-Base interactions energy: -323.499 where: short stacking energy: -212.437 Base-Backbone interact. energy: -1.063 local terms energy: -373.822639 where: bonds (distance) C4'-P energy: -92.977 bonds (distance) P-C4' energy: -118.197 flat angles C4'-P-C4' energy: -105.315 flat angles P-C4'-P energy: -52.277 tors. eta vs tors. theta energy: -5.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2667.929328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.929328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.929328 (E_RNA) where: Base-Base interactions energy: -1855.979 where: short stacking energy: -810.076 Base-Backbone interact. energy: -4.811 local terms energy: -807.138769 where: bonds (distance) C4'-P energy: -151.357 bonds (distance) P-C4' energy: -144.587 flat angles C4'-P-C4' energy: -169.277 flat angles P-C4'-P energy: -109.262 tors. eta vs tors. theta energy: -232.656 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: 8 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2491.960110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.960110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.960110 (E_RNA) where: Base-Base interactions energy: -1744.671 where: short stacking energy: -728.055 Base-Backbone interact. energy: 0.036 local terms energy: -747.324980 where: bonds (distance) C4'-P energy: -128.020 bonds (distance) P-C4' energy: -142.795 flat angles C4'-P-C4' energy: -159.104 flat angles P-C4'-P energy: -109.970 tors. eta vs tors. theta energy: -207.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2456.179836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.179836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.179836 (E_RNA) where: Base-Base interactions energy: -1709.042 where: short stacking energy: -717.103 Base-Backbone interact. energy: 0.964 local terms energy: -748.101192 where: bonds (distance) C4'-P energy: -144.497 bonds (distance) P-C4' energy: -144.310 flat angles C4'-P-C4' energy: -163.391 flat angles P-C4'-P energy: -92.971 tors. eta vs tors. theta energy: -202.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2298.728395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.728395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.728395 (E_RNA) where: Base-Base interactions energy: -1571.691 where: short stacking energy: -689.789 Base-Backbone interact. energy: -3.063 local terms energy: -723.974068 where: bonds (distance) C4'-P energy: -133.697 bonds (distance) P-C4' energy: -131.013 flat angles C4'-P-C4' energy: -149.406 flat angles P-C4'-P energy: -110.145 tors. eta vs tors. theta energy: -199.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2168.528432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.528432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.528432 (E_RNA) where: Base-Base interactions energy: -1483.181 where: short stacking energy: -630.695 Base-Backbone interact. energy: -1.086 local terms energy: -684.261927 where: bonds (distance) C4'-P energy: -128.674 bonds (distance) P-C4' energy: -136.628 flat angles C4'-P-C4' energy: -149.408 flat angles P-C4'-P energy: -95.524 tors. eta vs tors. theta energy: -174.029 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: 10 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1910.473968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.473968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.473968 (E_RNA) where: Base-Base interactions energy: -1295.666 where: short stacking energy: -587.269 Base-Backbone interact. energy: 0.721 local terms energy: -615.528733 where: bonds (distance) C4'-P energy: -114.727 bonds (distance) P-C4' energy: -116.277 flat angles C4'-P-C4' energy: -130.734 flat angles P-C4'-P energy: -92.203 tors. eta vs tors. theta energy: -161.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1768.875727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.875727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.875727 (E_RNA) where: Base-Base interactions energy: -1173.069 where: short stacking energy: -503.568 Base-Backbone interact. energy: 1.347 local terms energy: -597.153021 where: bonds (distance) C4'-P energy: -118.944 bonds (distance) P-C4' energy: -137.166 flat angles C4'-P-C4' energy: -130.805 flat angles P-C4'-P energy: -84.354 tors. eta vs tors. theta energy: -125.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1501.984317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.984317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.984317 (E_RNA) where: Base-Base interactions energy: -983.637 where: short stacking energy: -428.948 Base-Backbone interact. energy: -1.250 local terms energy: -517.096913 where: bonds (distance) C4'-P energy: -115.662 bonds (distance) P-C4' energy: -114.574 flat angles C4'-P-C4' energy: -117.820 flat angles P-C4'-P energy: -82.957 tors. eta vs tors. theta energy: -86.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1188.795095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.795095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.795095 (E_RNA) where: Base-Base interactions energy: -727.200 where: short stacking energy: -342.207 Base-Backbone interact. energy: 4.355 local terms energy: -465.950027 where: bonds (distance) C4'-P energy: -120.191 bonds (distance) P-C4' energy: -117.891 flat angles C4'-P-C4' energy: -120.888 flat angles P-C4'-P energy: -54.635 tors. eta vs tors. theta energy: -52.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -712.964521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.964521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.964521 (E_RNA) where: Base-Base interactions energy: -308.068 where: short stacking energy: -191.432 Base-Backbone interact. energy: 4.165 local terms energy: -409.061068 where: bonds (distance) C4'-P energy: -129.377 bonds (distance) P-C4' energy: -128.722 flat angles C4'-P-C4' energy: -106.012 flat angles P-C4'-P energy: -67.768 tors. eta vs tors. theta energy: 22.818 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: 4 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2661.808369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.808369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.808369 (E_RNA) where: Base-Base interactions energy: -1844.981 where: short stacking energy: -771.296 Base-Backbone interact. energy: -3.321 local terms energy: -813.506855 where: bonds (distance) C4'-P energy: -149.884 bonds (distance) P-C4' energy: -149.300 flat angles C4'-P-C4' energy: -175.850 flat angles P-C4'-P energy: -109.141 tors. eta vs tors. theta energy: -229.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2503.810746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.810746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.810746 (E_RNA) where: Base-Base interactions energy: -1745.861 where: short stacking energy: -764.787 Base-Backbone interact. energy: 2.303 local terms energy: -760.252499 where: bonds (distance) C4'-P energy: -136.200 bonds (distance) P-C4' energy: -151.285 flat angles C4'-P-C4' energy: -161.183 flat angles P-C4'-P energy: -91.067 tors. eta vs tors. theta energy: -220.517 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: 1 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2447.210938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.210938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.210938 (E_RNA) where: Base-Base interactions energy: -1707.164 where: short stacking energy: -702.923 Base-Backbone interact. energy: -1.167 local terms energy: -738.880222 where: bonds (distance) C4'-P energy: -128.824 bonds (distance) P-C4' energy: -126.475 flat angles C4'-P-C4' energy: -174.897 flat angles P-C4'-P energy: -102.597 tors. eta vs tors. theta energy: -206.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2274.563161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.563161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.563161 (E_RNA) where: Base-Base interactions energy: -1551.978 where: short stacking energy: -673.416 Base-Backbone interact. energy: 2.193 local terms energy: -724.777677 where: bonds (distance) C4'-P energy: -123.091 bonds (distance) P-C4' energy: -142.003 flat angles C4'-P-C4' energy: -154.652 flat angles P-C4'-P energy: -98.564 tors. eta vs tors. theta energy: -206.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2155.772424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.772424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.772424 (E_RNA) where: Base-Base interactions energy: -1466.021 where: short stacking energy: -636.941 Base-Backbone interact. energy: -0.703 local terms energy: -689.047894 where: bonds (distance) C4'-P energy: -135.397 bonds (distance) P-C4' energy: -118.132 flat angles C4'-P-C4' energy: -158.361 flat angles P-C4'-P energy: -98.052 tors. eta vs tors. theta energy: -179.106 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: 10 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1880.356566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.356566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.356566 (E_RNA) where: Base-Base interactions energy: -1235.922 where: short stacking energy: -554.438 Base-Backbone interact. energy: -8.250 local terms energy: -636.184839 where: bonds (distance) C4'-P energy: -132.775 bonds (distance) P-C4' energy: -115.231 flat angles C4'-P-C4' energy: -149.788 flat angles P-C4'-P energy: -91.229 tors. eta vs tors. theta energy: -147.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1762.044701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.044701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.044701 (E_RNA) where: Base-Base interactions energy: -1132.805 where: short stacking energy: -501.739 Base-Backbone interact. energy: -1.718 local terms energy: -627.521393 where: bonds (distance) C4'-P energy: -135.527 bonds (distance) P-C4' energy: -151.551 flat angles C4'-P-C4' energy: -131.875 flat angles P-C4'-P energy: -88.796 tors. eta vs tors. theta energy: -119.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1532.888008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.888008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.888008 (E_RNA) where: Base-Base interactions energy: -997.801 where: short stacking energy: -434.199 Base-Backbone interact. energy: 2.577 local terms energy: -537.663765 where: bonds (distance) C4'-P energy: -116.845 bonds (distance) P-C4' energy: -132.233 flat angles C4'-P-C4' energy: -123.909 flat angles P-C4'-P energy: -76.364 tors. eta vs tors. theta energy: -88.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1213.651664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.651664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.651664 (E_RNA) where: Base-Base interactions energy: -720.365 where: short stacking energy: -355.185 Base-Backbone interact. energy: 4.755 local terms energy: -498.042126 where: bonds (distance) C4'-P energy: -125.515 bonds (distance) P-C4' energy: -131.097 flat angles C4'-P-C4' energy: -132.679 flat angles P-C4'-P energy: -49.981 tors. eta vs tors. theta energy: -58.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -688.135063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.135063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.135063 (E_RNA) where: Base-Base interactions energy: -321.278 where: short stacking energy: -198.789 Base-Backbone interact. energy: -1.876 local terms energy: -364.981569 where: bonds (distance) C4'-P energy: -105.247 bonds (distance) P-C4' energy: -124.927 flat angles C4'-P-C4' energy: -107.204 flat angles P-C4'-P energy: -43.979 tors. eta vs tors. theta energy: 16.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2682.157277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.157277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.157277 (E_RNA) where: Base-Base interactions energy: -1874.403 where: short stacking energy: -799.554 Base-Backbone interact. energy: -2.368 local terms energy: -805.385833 where: bonds (distance) C4'-P energy: -131.442 bonds (distance) P-C4' energy: -152.501 flat angles C4'-P-C4' energy: -172.307 flat angles P-C4'-P energy: -121.141 tors. eta vs tors. theta energy: -227.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2542.151984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.151984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.151984 (E_RNA) where: Base-Base interactions energy: -1764.081 where: short stacking energy: -757.078 Base-Backbone interact. energy: -1.748 local terms energy: -776.322519 where: bonds (distance) C4'-P energy: -126.899 bonds (distance) P-C4' energy: -147.099 flat angles C4'-P-C4' energy: -174.019 flat angles P-C4'-P energy: -105.071 tors. eta vs tors. theta energy: -223.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2450.196459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.196459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.196459 (E_RNA) where: Base-Base interactions energy: -1687.060 where: short stacking energy: -712.255 Base-Backbone interact. energy: -1.634 local terms energy: -761.502675 where: bonds (distance) C4'-P energy: -139.257 bonds (distance) P-C4' energy: -145.904 flat angles C4'-P-C4' energy: -156.269 flat angles P-C4'-P energy: -123.595 tors. eta vs tors. theta energy: -196.479 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: 7 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2271.213160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.213160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.213160 (E_RNA) where: Base-Base interactions energy: -1552.021 where: short stacking energy: -700.045 Base-Backbone interact. energy: -1.787 local terms energy: -717.405224 where: bonds (distance) C4'-P energy: -134.917 bonds (distance) P-C4' energy: -136.092 flat angles C4'-P-C4' energy: -151.574 flat angles P-C4'-P energy: -91.222 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: 5, replica: 3 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2100.318616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.318616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.318616 (E_RNA) where: Base-Base interactions energy: -1443.996 where: short stacking energy: -622.539 Base-Backbone interact. energy: -2.921 local terms energy: -653.401488 where: bonds (distance) C4'-P energy: -116.315 bonds (distance) P-C4' energy: -126.866 flat angles C4'-P-C4' energy: -146.440 flat angles P-C4'-P energy: -100.411 tors. eta vs tors. theta energy: -163.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1824.671664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.671664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.671664 (E_RNA) where: Base-Base interactions energy: -1193.516 where: short stacking energy: -511.219 Base-Backbone interact. energy: -3.861 local terms energy: -627.294163 where: bonds (distance) C4'-P energy: -131.401 bonds (distance) P-C4' energy: -145.394 flat angles C4'-P-C4' energy: -132.075 flat angles P-C4'-P energy: -89.660 tors. eta vs tors. theta energy: -128.764 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: 7, replica: 6 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1707.308102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.308102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.308102 (E_RNA) where: Base-Base interactions energy: -1150.041 where: short stacking energy: -509.773 Base-Backbone interact. energy: -5.382 local terms energy: -551.884237 where: bonds (distance) C4'-P energy: -118.392 bonds (distance) P-C4' energy: -120.334 flat angles C4'-P-C4' energy: -136.197 flat angles P-C4'-P energy: -65.311 tors. eta vs tors. theta energy: -111.649 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: 2 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1503.467089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.467089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.467089 (E_RNA) where: Base-Base interactions energy: -990.675 where: short stacking energy: -438.038 Base-Backbone interact. energy: -2.034 local terms energy: -510.758340 where: bonds (distance) C4'-P energy: -102.426 bonds (distance) P-C4' energy: -126.588 flat angles C4'-P-C4' energy: -113.623 flat angles P-C4'-P energy: -63.485 tors. eta vs tors. theta energy: -104.636 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: 5 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1187.470238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.470238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.470238 (E_RNA) where: Base-Base interactions energy: -710.312 where: short stacking energy: -341.145 Base-Backbone interact. energy: -2.711 local terms energy: -474.447425 where: bonds (distance) C4'-P energy: -125.604 bonds (distance) P-C4' energy: -129.194 flat angles C4'-P-C4' energy: -111.059 flat angles P-C4'-P energy: -81.617 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: 9 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -689.860872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.860872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.860872 (E_RNA) where: Base-Base interactions energy: -289.987 where: short stacking energy: -203.469 Base-Backbone interact. energy: -1.728 local terms energy: -398.145550 where: bonds (distance) C4'-P energy: -111.565 bonds (distance) P-C4' energy: -136.646 flat angles C4'-P-C4' energy: -83.338 flat angles P-C4'-P energy: -71.939 tors. eta vs tors. theta energy: 5.343 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: 4 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2673.820156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.820156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.820156 (E_RNA) where: Base-Base interactions energy: -1856.667 where: short stacking energy: -813.545 Base-Backbone interact. energy: 1.457 local terms energy: -818.609850 where: bonds (distance) C4'-P energy: -142.725 bonds (distance) P-C4' energy: -148.618 flat angles C4'-P-C4' energy: -178.372 flat angles P-C4'-P energy: -114.435 tors. eta vs tors. theta energy: -234.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2539.664268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.664268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.664268 (E_RNA) where: Base-Base interactions energy: -1748.497 where: short stacking energy: -745.973 Base-Backbone interact. energy: -3.416 local terms energy: -787.751230 where: bonds (distance) C4'-P energy: -142.752 bonds (distance) P-C4' energy: -143.013 flat angles C4'-P-C4' energy: -163.376 flat angles P-C4'-P energy: -110.388 tors. eta vs tors. theta energy: -228.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2442.047100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.047100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.047100 (E_RNA) where: Base-Base interactions energy: -1683.172 where: short stacking energy: -715.197 Base-Backbone interact. energy: -3.733 local terms energy: -755.142222 where: bonds (distance) C4'-P energy: -128.627 bonds (distance) P-C4' energy: -139.076 flat angles C4'-P-C4' energy: -163.252 flat angles P-C4'-P energy: -118.208 tors. eta vs tors. theta energy: -205.980 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: 7 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2255.956751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.956751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.956751 (E_RNA) where: Base-Base interactions energy: -1525.214 where: short stacking energy: -674.727 Base-Backbone interact. energy: -4.063 local terms energy: -726.679253 where: bonds (distance) C4'-P energy: -133.684 bonds (distance) P-C4' energy: -138.225 flat angles C4'-P-C4' energy: -155.735 flat angles P-C4'-P energy: -108.388 tors. eta vs tors. theta energy: -190.647 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: 3 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2097.546736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.546736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.546736 (E_RNA) where: Base-Base interactions energy: -1422.609 where: short stacking energy: -614.713 Base-Backbone interact. energy: -0.059 local terms energy: -674.879268 where: bonds (distance) C4'-P energy: -130.008 bonds (distance) P-C4' energy: -137.883 flat angles C4'-P-C4' energy: -144.121 flat angles P-C4'-P energy: -95.676 tors. eta vs tors. theta energy: -167.191 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: 343 Temperature: 1.150000 Total energy: -1851.938321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.938321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.938321 (E_RNA) where: Base-Base interactions energy: -1228.598 where: short stacking energy: -507.982 Base-Backbone interact. energy: 0.565 local terms energy: -623.905069 where: bonds (distance) C4'-P energy: -140.542 bonds (distance) P-C4' energy: -134.989 flat angles C4'-P-C4' energy: -136.674 flat angles P-C4'-P energy: -82.972 tors. eta vs tors. theta energy: -128.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1733.403490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.403490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.403490 (E_RNA) where: Base-Base interactions energy: -1107.058 where: short stacking energy: -496.726 Base-Backbone interact. energy: -4.028 local terms energy: -622.317997 where: bonds (distance) C4'-P energy: -122.405 bonds (distance) P-C4' energy: -125.115 flat angles C4'-P-C4' energy: -134.892 flat angles P-C4'-P energy: -106.427 tors. eta vs tors. theta energy: -133.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1543.573078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.573078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.573078 (E_RNA) where: Base-Base interactions energy: -1014.092 where: short stacking energy: -454.441 Base-Backbone interact. energy: -4.274 local terms energy: -525.206621 where: bonds (distance) C4'-P energy: -109.415 bonds (distance) P-C4' energy: -124.857 flat angles C4'-P-C4' energy: -121.819 flat angles P-C4'-P energy: -74.171 tors. eta vs tors. theta energy: -94.944 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: 5 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1076.485113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.485113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.485113 (E_RNA) where: Base-Base interactions energy: -637.990 where: short stacking energy: -289.475 Base-Backbone interact. energy: -2.811 local terms energy: -435.684569 where: bonds (distance) C4'-P energy: -112.393 bonds (distance) P-C4' energy: -130.614 flat angles C4'-P-C4' energy: -110.128 flat angles P-C4'-P energy: -56.256 tors. eta vs tors. theta energy: -26.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -687.023392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.023392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.023392 (E_RNA) where: Base-Base interactions energy: -318.778 where: short stacking energy: -195.543 Base-Backbone interact. energy: -0.576 local terms energy: -367.668959 where: bonds (distance) C4'-P energy: -129.556 bonds (distance) P-C4' energy: -98.729 flat angles C4'-P-C4' energy: -87.347 flat angles P-C4'-P energy: -68.307 tors. eta vs tors. theta energy: 16.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2655.941062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.941062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.941062 (E_RNA) where: Base-Base interactions energy: -1859.852 where: short stacking energy: -787.765 Base-Backbone interact. energy: -3.470 local terms energy: -792.618798 where: bonds (distance) C4'-P energy: -141.366 bonds (distance) P-C4' energy: -143.030 flat angles C4'-P-C4' energy: -170.309 flat angles P-C4'-P energy: -113.126 tors. eta vs tors. theta energy: -224.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2533.406781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.406781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.406781 (E_RNA) where: Base-Base interactions energy: -1752.206 where: short stacking energy: -740.763 Base-Backbone interact. energy: 0.563 local terms energy: -781.762914 where: bonds (distance) C4'-P energy: -141.534 bonds (distance) P-C4' energy: -154.607 flat angles C4'-P-C4' energy: -171.412 flat angles P-C4'-P energy: -105.791 tors. eta vs tors. theta energy: -208.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2472.793736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.793736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.793736 (E_RNA) where: Base-Base interactions energy: -1725.047 where: short stacking energy: -731.221 Base-Backbone interact. energy: -1.452 local terms energy: -746.295040 where: bonds (distance) C4'-P energy: -143.133 bonds (distance) P-C4' energy: -139.204 flat angles C4'-P-C4' energy: -153.581 flat angles P-C4'-P energy: -98.070 tors. eta vs tors. theta energy: -212.307 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: 4, replica: 7 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2242.175305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.175305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.175305 (E_RNA) where: Base-Base interactions energy: -1516.379 where: short stacking energy: -668.792 Base-Backbone interact. energy: -2.279 local terms energy: -723.517918 where: bonds (distance) C4'-P energy: -131.378 bonds (distance) P-C4' energy: -120.824 flat angles C4'-P-C4' energy: -166.933 flat angles P-C4'-P energy: -109.592 tors. eta vs tors. theta energy: -194.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2079.367526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.367526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.367526 (E_RNA) where: Base-Base interactions energy: -1420.625 where: short stacking energy: -624.770 Base-Backbone interact. energy: 1.082 local terms energy: -659.824957 where: bonds (distance) C4'-P energy: -112.035 bonds (distance) P-C4' energy: -134.649 flat angles C4'-P-C4' energy: -145.370 flat angles P-C4'-P energy: -93.179 tors. eta vs tors. theta energy: -174.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1895.248064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.248064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.248064 (E_RNA) where: Base-Base interactions energy: -1272.247 where: short stacking energy: -561.053 Base-Backbone interact. energy: -1.465 local terms energy: -621.536539 where: bonds (distance) C4'-P energy: -102.996 bonds (distance) P-C4' energy: -146.351 flat angles C4'-P-C4' energy: -150.926 flat angles P-C4'-P energy: -86.216 tors. eta vs tors. theta energy: -135.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1741.796397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.796397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.796397 (E_RNA) where: Base-Base interactions energy: -1123.286 where: short stacking energy: -496.457 Base-Backbone interact. energy: -2.027 local terms energy: -616.483128 where: bonds (distance) C4'-P energy: -124.443 bonds (distance) P-C4' energy: -135.654 flat angles C4'-P-C4' energy: -139.247 flat angles P-C4'-P energy: -89.188 tors. eta vs tors. theta energy: -127.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1516.109925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.109925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.109925 (E_RNA) where: Base-Base interactions energy: -961.102 where: short stacking energy: -444.115 Base-Backbone interact. energy: -1.375 local terms energy: -553.632685 where: bonds (distance) C4'-P energy: -131.642 bonds (distance) P-C4' energy: -133.800 flat angles C4'-P-C4' energy: -141.267 flat angles P-C4'-P energy: -51.608 tors. eta vs tors. theta energy: -95.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1112.117328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.117328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.117328 (E_RNA) where: Base-Base interactions energy: -628.416 where: short stacking energy: -313.036 Base-Backbone interact. energy: 0.351 local terms energy: -484.052300 where: bonds (distance) C4'-P energy: -119.363 bonds (distance) P-C4' energy: -114.499 flat angles C4'-P-C4' energy: -128.554 flat angles P-C4'-P energy: -74.443 tors. eta vs tors. theta energy: -47.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -736.612215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.612215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.612215 (E_RNA) where: Base-Base interactions energy: -353.980 where: short stacking energy: -216.333 Base-Backbone interact. energy: 0.810 local terms energy: -383.443031 where: bonds (distance) C4'-P energy: -106.573 bonds (distance) P-C4' energy: -134.006 flat angles C4'-P-C4' energy: -107.577 flat angles P-C4'-P energy: -50.708 tors. eta vs tors. theta energy: 15.421 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: 4 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2649.011104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.011104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.011104 (E_RNA) where: Base-Base interactions energy: -1850.548 where: short stacking energy: -821.313 Base-Backbone interact. energy: -2.922 local terms energy: -795.541703 where: bonds (distance) C4'-P energy: -156.748 bonds (distance) P-C4' energy: -130.314 flat angles C4'-P-C4' energy: -167.665 flat angles P-C4'-P energy: -106.808 tors. eta vs tors. theta energy: -234.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2553.341963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.341963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.341963 (E_RNA) where: Base-Base interactions energy: -1767.945 where: short stacking energy: -762.371 Base-Backbone interact. energy: -1.213 local terms energy: -784.183209 where: bonds (distance) C4'-P energy: -133.501 bonds (distance) P-C4' energy: -139.792 flat angles C4'-P-C4' energy: -174.397 flat angles P-C4'-P energy: -121.247 tors. eta vs tors. theta energy: -215.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2447.053929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.053929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.053929 (E_RNA) where: Base-Base interactions energy: -1703.722 where: short stacking energy: -733.487 Base-Backbone interact. energy: 0.984 local terms energy: -744.316364 where: bonds (distance) C4'-P energy: -141.699 bonds (distance) P-C4' energy: -132.901 flat angles C4'-P-C4' energy: -156.139 flat angles P-C4'-P energy: -93.696 tors. eta vs tors. theta energy: -219.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2229.266639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.266639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.266639 (E_RNA) where: Base-Base interactions energy: -1495.818 where: short stacking energy: -660.227 Base-Backbone interact. energy: -2.399 local terms energy: -731.049913 where: bonds (distance) C4'-P energy: -139.375 bonds (distance) P-C4' energy: -125.457 flat angles C4'-P-C4' energy: -161.214 flat angles P-C4'-P energy: -102.391 tors. eta vs tors. theta energy: -202.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2090.599480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.599480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.599480 (E_RNA) where: Base-Base interactions energy: -1420.774 where: short stacking energy: -595.662 Base-Backbone interact. energy: -0.180 local terms energy: -669.645955 where: bonds (distance) C4'-P energy: -120.274 bonds (distance) P-C4' energy: -137.805 flat angles C4'-P-C4' energy: -158.968 flat angles P-C4'-P energy: -91.666 tors. eta vs tors. theta energy: -160.934 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: 6, replica: 10 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1906.069862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.069862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.069862 (E_RNA) where: Base-Base interactions energy: -1307.304 where: short stacking energy: -544.130 Base-Backbone interact. energy: -5.433 local terms energy: -593.333757 where: bonds (distance) C4'-P energy: -100.275 bonds (distance) P-C4' energy: -130.226 flat angles C4'-P-C4' energy: -136.223 flat angles P-C4'-P energy: -79.024 tors. eta vs tors. theta energy: -147.585 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: 345 Temperature: 1.200000 Total energy: -1764.698548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.698548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.698548 (E_RNA) where: Base-Base interactions energy: -1187.900 where: short stacking energy: -531.188 Base-Backbone interact. energy: 2.383 local terms energy: -579.181765 where: bonds (distance) C4'-P energy: -118.779 bonds (distance) P-C4' energy: -126.872 flat angles C4'-P-C4' energy: -144.830 flat angles P-C4'-P energy: -75.765 tors. eta vs tors. theta energy: -112.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1490.182085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.182085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.182085 (E_RNA) where: Base-Base interactions energy: -973.382 where: short stacking energy: -410.030 Base-Backbone interact. energy: 3.468 local terms energy: -520.268202 where: bonds (distance) C4'-P energy: -122.488 bonds (distance) P-C4' energy: -134.239 flat angles C4'-P-C4' energy: -107.172 flat angles P-C4'-P energy: -77.319 tors. eta vs tors. theta energy: -79.050 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: 9, replica: 5 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1083.958016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.958016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.958016 (E_RNA) where: Base-Base interactions energy: -617.903 where: short stacking energy: -307.035 Base-Backbone interact. energy: -1.544 local terms energy: -464.511047 where: bonds (distance) C4'-P energy: -114.377 bonds (distance) P-C4' energy: -118.776 flat angles C4'-P-C4' energy: -126.084 flat angles P-C4'-P energy: -78.212 tors. eta vs tors. theta energy: -27.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -728.493363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.493363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.493363 (E_RNA) where: Base-Base interactions energy: -331.311 where: short stacking energy: -212.623 Base-Backbone interact. energy: -0.421 local terms energy: -396.761025 where: bonds (distance) C4'-P energy: -109.143 bonds (distance) P-C4' energy: -119.292 flat angles C4'-P-C4' energy: -98.528 flat angles P-C4'-P energy: -70.799 tors. eta vs tors. theta energy: 1.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2626.409690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.409690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.409690 (E_RNA) where: Base-Base interactions energy: -1840.838 where: short stacking energy: -777.029 Base-Backbone interact. energy: -3.917 local terms energy: -781.654628 where: bonds (distance) C4'-P energy: -136.395 bonds (distance) P-C4' energy: -153.641 flat angles C4'-P-C4' energy: -164.534 flat angles P-C4'-P energy: -108.486 tors. eta vs tors. theta energy: -218.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2509.101116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.101116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.101116 (E_RNA) where: Base-Base interactions energy: -1714.215 where: short stacking energy: -715.301 Base-Backbone interact. energy: -1.307 local terms energy: -793.578940 where: bonds (distance) C4'-P energy: -143.308 bonds (distance) P-C4' energy: -142.850 flat angles C4'-P-C4' energy: -169.972 flat angles P-C4'-P energy: -113.317 tors. eta vs tors. theta energy: -224.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2430.363453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.363453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.363453 (E_RNA) where: Base-Base interactions energy: -1685.307 where: short stacking energy: -715.969 Base-Backbone interact. energy: 1.431 local terms energy: -746.488112 where: bonds (distance) C4'-P energy: -119.765 bonds (distance) P-C4' energy: -150.130 flat angles C4'-P-C4' energy: -159.945 flat angles P-C4'-P energy: -100.987 tors. eta vs tors. theta energy: -215.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2254.216363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.216363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.216363 (E_RNA) where: Base-Base interactions energy: -1539.157 where: short stacking energy: -696.329 Base-Backbone interact. energy: -3.120 local terms energy: -711.939262 where: bonds (distance) C4'-P energy: -123.161 bonds (distance) P-C4' energy: -130.263 flat angles C4'-P-C4' energy: -159.328 flat angles P-C4'-P energy: -100.120 tors. eta vs tors. theta energy: -199.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2077.663855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.663855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.663855 (E_RNA) where: Base-Base interactions energy: -1390.502 where: short stacking energy: -605.636 Base-Backbone interact. energy: -2.490 local terms energy: -684.671723 where: bonds (distance) C4'-P energy: -123.798 bonds (distance) P-C4' energy: -126.551 flat angles C4'-P-C4' energy: -152.515 flat angles P-C4'-P energy: -113.978 tors. eta vs tors. theta energy: -167.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1847.326355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.326355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.326355 (E_RNA) where: Base-Base interactions energy: -1243.235 where: short stacking energy: -538.900 Base-Backbone interact. energy: -0.501 local terms energy: -603.590244 where: bonds (distance) C4'-P energy: -114.942 bonds (distance) P-C4' energy: -135.593 flat angles C4'-P-C4' energy: -132.321 flat angles P-C4'-P energy: -80.598 tors. eta vs tors. theta energy: -140.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1776.294864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.294864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.294864 (E_RNA) where: Base-Base interactions energy: -1181.241 where: short stacking energy: -504.621 Base-Backbone interact. energy: -0.382 local terms energy: -594.671689 where: bonds (distance) C4'-P energy: -135.324 bonds (distance) P-C4' energy: -120.503 flat angles C4'-P-C4' energy: -141.962 flat angles P-C4'-P energy: -87.240 tors. eta vs tors. theta energy: -109.642 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: 2 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1525.236995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.236995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.236995 (E_RNA) where: Base-Base interactions energy: -964.219 where: short stacking energy: -452.737 Base-Backbone interact. energy: -3.092 local terms energy: -557.925646 where: bonds (distance) C4'-P energy: -119.954 bonds (distance) P-C4' energy: -138.203 flat angles C4'-P-C4' energy: -139.136 flat angles P-C4'-P energy: -66.256 tors. eta vs tors. theta energy: -94.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1116.258177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.258177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.258177 (E_RNA) where: Base-Base interactions energy: -645.329 where: short stacking energy: -330.312 Base-Backbone interact. energy: 0.926 local terms energy: -471.855161 where: bonds (distance) C4'-P energy: -92.909 bonds (distance) P-C4' energy: -135.743 flat angles C4'-P-C4' energy: -128.710 flat angles P-C4'-P energy: -54.257 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: 10, replica: 9 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -656.704493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.704493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.704493 (E_RNA) where: Base-Base interactions energy: -275.549 where: short stacking energy: -184.373 Base-Backbone interact. energy: -2.081 local terms energy: -379.074471 where: bonds (distance) C4'-P energy: -131.879 bonds (distance) P-C4' energy: -108.433 flat angles C4'-P-C4' energy: -83.700 flat angles P-C4'-P energy: -51.254 tors. eta vs tors. theta energy: -3.808 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: 4 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2625.601090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.601090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.601090 (E_RNA) where: Base-Base interactions energy: -1811.136 where: short stacking energy: -794.299 Base-Backbone interact. energy: -5.033 local terms energy: -809.431815 where: bonds (distance) C4'-P energy: -154.589 bonds (distance) P-C4' energy: -139.307 flat angles C4'-P-C4' energy: -168.083 flat angles P-C4'-P energy: -118.454 tors. eta vs tors. theta energy: -228.999 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: 1 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2501.201389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.201389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.201389 (E_RNA) where: Base-Base interactions energy: -1731.501 where: short stacking energy: -744.912 Base-Backbone interact. energy: -0.505 local terms energy: -769.195920 where: bonds (distance) C4'-P energy: -142.262 bonds (distance) P-C4' energy: -135.277 flat angles C4'-P-C4' energy: -167.058 flat angles P-C4'-P energy: -109.503 tors. eta vs tors. theta energy: -215.096 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: 347 Temperature: 1.000000 Total energy: -2455.173935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.173935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.173935 (E_RNA) where: Base-Base interactions energy: -1700.719 where: short stacking energy: -702.085 Base-Backbone interact. energy: -1.966 local terms energy: -752.488273 where: bonds (distance) C4'-P energy: -141.074 bonds (distance) P-C4' energy: -156.774 flat angles C4'-P-C4' energy: -163.259 flat angles P-C4'-P energy: -92.071 tors. eta vs tors. theta energy: -199.310 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: 7 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2227.265020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.265020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.265020 (E_RNA) where: Base-Base interactions energy: -1493.386 where: short stacking energy: -673.912 Base-Backbone interact. energy: -3.867 local terms energy: -730.012434 where: bonds (distance) C4'-P energy: -141.229 bonds (distance) P-C4' energy: -140.100 flat angles C4'-P-C4' energy: -162.220 flat angles P-C4'-P energy: -85.028 tors. eta vs tors. theta energy: -201.436 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: 3 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2046.266673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.266673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.266673 (E_RNA) where: Base-Base interactions energy: -1389.715 where: short stacking energy: -611.259 Base-Backbone interact. energy: -1.770 local terms energy: -654.781847 where: bonds (distance) C4'-P energy: -133.012 bonds (distance) P-C4' energy: -128.931 flat angles C4'-P-C4' energy: -142.369 flat angles P-C4'-P energy: -92.162 tors. eta vs tors. theta energy: -158.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1837.051788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.051788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.051788 (E_RNA) where: Base-Base interactions energy: -1199.826 where: short stacking energy: -531.300 Base-Backbone interact. energy: -1.113 local terms energy: -636.112754 where: bonds (distance) C4'-P energy: -134.985 bonds (distance) P-C4' energy: -127.621 flat angles C4'-P-C4' energy: -151.647 flat angles P-C4'-P energy: -93.048 tors. eta vs tors. theta energy: -128.813 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: 6 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1779.010802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.010802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.010802 (E_RNA) where: Base-Base interactions energy: -1179.946 where: short stacking energy: -494.932 Base-Backbone interact. energy: -1.248 local terms energy: -597.816667 where: bonds (distance) C4'-P energy: -120.666 bonds (distance) P-C4' energy: -131.341 flat angles C4'-P-C4' energy: -116.861 flat angles P-C4'-P energy: -96.248 tors. eta vs tors. theta energy: -132.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1540.966792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.966792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.966792 (E_RNA) where: Base-Base interactions energy: -1002.391 where: short stacking energy: -414.453 Base-Backbone interact. energy: -1.096 local terms energy: -537.479214 where: bonds (distance) C4'-P energy: -119.934 bonds (distance) P-C4' energy: -124.181 flat angles C4'-P-C4' energy: -134.960 flat angles P-C4'-P energy: -91.796 tors. eta vs tors. theta energy: -66.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1136.593394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.593394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.593394 (E_RNA) where: Base-Base interactions energy: -712.994 where: short stacking energy: -320.849 Base-Backbone interact. energy: 1.364 local terms energy: -424.963091 where: bonds (distance) C4'-P energy: -105.559 bonds (distance) P-C4' energy: -98.035 flat angles C4'-P-C4' energy: -130.912 flat angles P-C4'-P energy: -53.240 tors. eta vs tors. theta energy: -37.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -689.160586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.160586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.160586 (E_RNA) where: Base-Base interactions energy: -289.296 where: short stacking energy: -194.172 Base-Backbone interact. energy: 0.128 local terms energy: -399.992905 where: bonds (distance) C4'-P energy: -114.794 bonds (distance) P-C4' energy: -135.074 flat angles C4'-P-C4' energy: -108.113 flat angles P-C4'-P energy: -46.222 tors. eta vs tors. theta energy: 4.211 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: 1, replica: 4 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2634.354543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.354543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.354543 (E_RNA) where: Base-Base interactions energy: -1827.002 where: short stacking energy: -797.756 Base-Backbone interact. energy: -3.058 local terms energy: -804.294601 where: bonds (distance) C4'-P energy: -138.249 bonds (distance) P-C4' energy: -153.548 flat angles C4'-P-C4' energy: -178.892 flat angles P-C4'-P energy: -113.603 tors. eta vs tors. theta energy: -220.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2489.551972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.551972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.551972 (E_RNA) where: Base-Base interactions energy: -1704.716 where: short stacking energy: -708.927 Base-Backbone interact. energy: -2.515 local terms energy: -782.321868 where: bonds (distance) C4'-P energy: -133.642 bonds (distance) P-C4' energy: -163.517 flat angles C4'-P-C4' energy: -165.105 flat angles P-C4'-P energy: -105.943 tors. eta vs tors. theta energy: -214.115 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: 8 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2451.976256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.976256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.976256 (E_RNA) where: Base-Base interactions energy: -1708.395 where: short stacking energy: -708.853 Base-Backbone interact. energy: -4.673 local terms energy: -738.907477 where: bonds (distance) C4'-P energy: -129.628 bonds (distance) P-C4' energy: -149.725 flat angles C4'-P-C4' energy: -147.111 flat angles P-C4'-P energy: -109.047 tors. eta vs tors. theta energy: -203.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2261.178907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.178907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.178907 (E_RNA) where: Base-Base interactions energy: -1547.358 where: short stacking energy: -696.357 Base-Backbone interact. energy: -3.477 local terms energy: -710.343090 where: bonds (distance) C4'-P energy: -127.278 bonds (distance) P-C4' energy: -127.519 flat angles C4'-P-C4' energy: -156.753 flat angles P-C4'-P energy: -85.022 tors. eta vs tors. theta energy: -213.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2025.426620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.426620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.426620 (E_RNA) where: Base-Base interactions energy: -1349.920 where: short stacking energy: -605.719 Base-Backbone interact. energy: 0.489 local terms energy: -675.995881 where: bonds (distance) C4'-P energy: -137.833 bonds (distance) P-C4' energy: -140.189 flat angles C4'-P-C4' energy: -139.351 flat angles P-C4'-P energy: -95.545 tors. eta vs tors. theta energy: -163.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1833.304607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.304607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.304607 (E_RNA) where: Base-Base interactions energy: -1220.042 where: short stacking energy: -537.208 Base-Backbone interact. energy: -2.715 local terms energy: -610.547848 where: bonds (distance) C4'-P energy: -134.135 bonds (distance) P-C4' energy: -129.786 flat angles C4'-P-C4' energy: -128.439 flat angles P-C4'-P energy: -74.706 tors. eta vs tors. theta energy: -143.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1856.013956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.013956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.013956 (E_RNA) where: Base-Base interactions energy: -1232.985 where: short stacking energy: -533.315 Base-Backbone interact. energy: -1.375 local terms energy: -621.653322 where: bonds (distance) C4'-P energy: -117.085 bonds (distance) P-C4' energy: -138.739 flat angles C4'-P-C4' energy: -144.349 flat angles P-C4'-P energy: -100.918 tors. eta vs tors. theta energy: -120.563 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: 8, replica: 2 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1540.754381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.754381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.754381 (E_RNA) where: Base-Base interactions energy: -979.017 where: short stacking energy: -439.140 Base-Backbone interact. energy: 2.847 local terms energy: -564.584605 where: bonds (distance) C4'-P energy: -115.200 bonds (distance) P-C4' energy: -146.269 flat angles C4'-P-C4' energy: -130.583 flat angles P-C4'-P energy: -71.803 tors. eta vs tors. theta energy: -100.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1161.569178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.569178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.569178 (E_RNA) where: Base-Base interactions energy: -702.487 where: short stacking energy: -289.141 Base-Backbone interact. energy: 1.313 local terms energy: -460.395284 where: bonds (distance) C4'-P energy: -113.756 bonds (distance) P-C4' energy: -142.267 flat angles C4'-P-C4' energy: -121.721 flat angles P-C4'-P energy: -57.893 tors. eta vs tors. theta energy: -24.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -764.806555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.806555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.806555 (E_RNA) where: Base-Base interactions energy: -369.109 where: short stacking energy: -223.861 Base-Backbone interact. energy: 0.300 local terms energy: -395.998048 where: bonds (distance) C4'-P energy: -123.662 bonds (distance) P-C4' energy: -114.113 flat angles C4'-P-C4' energy: -100.922 flat angles P-C4'-P energy: -51.856 tors. eta vs tors. theta energy: -5.446 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: 1, replica: 4 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2648.394667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.394667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.394667 (E_RNA) where: Base-Base interactions energy: -1815.714 where: short stacking energy: -795.951 Base-Backbone interact. energy: -2.203 local terms energy: -830.477278 where: bonds (distance) C4'-P energy: -141.611 bonds (distance) P-C4' energy: -157.603 flat angles C4'-P-C4' energy: -169.040 flat angles P-C4'-P energy: -121.024 tors. eta vs tors. theta energy: -241.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2513.750009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.750009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.750009 (E_RNA) where: Base-Base interactions energy: -1732.363 where: short stacking energy: -728.378 Base-Backbone interact. energy: 0.668 local terms energy: -782.055905 where: bonds (distance) C4'-P energy: -144.880 bonds (distance) P-C4' energy: -141.247 flat angles C4'-P-C4' energy: -168.850 flat angles P-C4'-P energy: -107.045 tors. eta vs tors. theta energy: -220.034 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: 3, replica: 8 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2440.906578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.906578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.906578 (E_RNA) where: Base-Base interactions energy: -1701.953 where: short stacking energy: -732.078 Base-Backbone interact. energy: 0.173 local terms energy: -739.126201 where: bonds (distance) C4'-P energy: -132.008 bonds (distance) P-C4' energy: -120.893 flat angles C4'-P-C4' energy: -164.024 flat angles P-C4'-P energy: -121.419 tors. eta vs tors. theta energy: -200.783 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: 7 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2249.903823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.903823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.903823 (E_RNA) where: Base-Base interactions energy: -1550.058 where: short stacking energy: -674.841 Base-Backbone interact. energy: 0.381 local terms energy: -700.226416 where: bonds (distance) C4'-P energy: -119.822 bonds (distance) P-C4' energy: -128.558 flat angles C4'-P-C4' energy: -148.501 flat angles P-C4'-P energy: -102.389 tors. eta vs tors. theta energy: -200.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1994.208983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.208983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.208983 (E_RNA) where: Base-Base interactions energy: -1344.585 where: short stacking energy: -562.132 Base-Backbone interact. energy: -4.506 local terms energy: -645.118303 where: bonds (distance) C4'-P energy: -119.222 bonds (distance) P-C4' energy: -127.963 flat angles C4'-P-C4' energy: -146.764 flat angles P-C4'-P energy: -106.405 tors. eta vs tors. theta energy: -144.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1843.595871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.595871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.595871 (E_RNA) where: Base-Base interactions energy: -1206.443 where: short stacking energy: -545.455 Base-Backbone interact. energy: 0.657 local terms energy: -637.809284 where: bonds (distance) C4'-P energy: -133.172 bonds (distance) P-C4' energy: -133.106 flat angles C4'-P-C4' energy: -138.051 flat angles P-C4'-P energy: -86.181 tors. eta vs tors. theta energy: -147.299 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: 6 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1737.462947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.462947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.462947 (E_RNA) where: Base-Base interactions energy: -1156.208 where: short stacking energy: -496.324 Base-Backbone interact. energy: -3.318 local terms energy: -577.936949 where: bonds (distance) C4'-P energy: -131.580 bonds (distance) P-C4' energy: -122.958 flat angles C4'-P-C4' energy: -128.354 flat angles P-C4'-P energy: -85.406 tors. eta vs tors. theta energy: -109.639 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: 2 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1563.532448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.532448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.532448 (E_RNA) where: Base-Base interactions energy: -1017.476 where: short stacking energy: -462.538 Base-Backbone interact. energy: -3.129 local terms energy: -542.927189 where: bonds (distance) C4'-P energy: -130.890 bonds (distance) P-C4' energy: -117.020 flat angles C4'-P-C4' energy: -136.000 flat angles P-C4'-P energy: -57.945 tors. eta vs tors. theta energy: -101.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1062.965143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.965143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.965143 (E_RNA) where: Base-Base interactions energy: -594.499 where: short stacking energy: -330.713 Base-Backbone interact. energy: -2.560 local terms energy: -465.905934 where: bonds (distance) C4'-P energy: -123.189 bonds (distance) P-C4' energy: -130.397 flat angles C4'-P-C4' energy: -107.353 flat angles P-C4'-P energy: -72.204 tors. eta vs tors. theta energy: -32.762 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: 9 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -806.636017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.636017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.636017 (E_RNA) where: Base-Base interactions energy: -409.633 where: short stacking energy: -242.610 Base-Backbone interact. energy: 2.795 local terms energy: -399.798599 where: bonds (distance) C4'-P energy: -107.029 bonds (distance) P-C4' energy: -114.332 flat angles C4'-P-C4' energy: -113.795 flat angles P-C4'-P energy: -60.131 tors. eta vs tors. theta energy: -4.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2641.928324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.928324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.928324 (E_RNA) where: Base-Base interactions energy: -1806.088 where: short stacking energy: -772.716 Base-Backbone interact. energy: -1.402 local terms energy: -834.438618 where: bonds (distance) C4'-P energy: -151.879 bonds (distance) P-C4' energy: -163.096 flat angles C4'-P-C4' energy: -176.274 flat angles P-C4'-P energy: -115.193 tors. eta vs tors. theta energy: -227.997 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: 1 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2513.941353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.941353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.941353 (E_RNA) where: Base-Base interactions energy: -1713.270 where: short stacking energy: -748.682 Base-Backbone interact. energy: -3.307 local terms energy: -797.364440 where: bonds (distance) C4'-P energy: -146.697 bonds (distance) P-C4' energy: -147.563 flat angles C4'-P-C4' energy: -177.302 flat angles P-C4'-P energy: -113.111 tors. eta vs tors. theta energy: -212.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2491.056390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.056390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.056390 (E_RNA) where: Base-Base interactions energy: -1728.152 where: short stacking energy: -753.664 Base-Backbone interact. energy: 0.454 local terms energy: -763.358108 where: bonds (distance) C4'-P energy: -124.745 bonds (distance) P-C4' energy: -145.199 flat angles C4'-P-C4' energy: -164.772 flat angles P-C4'-P energy: -104.267 tors. eta vs tors. theta energy: -224.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2221.789842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.789842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.789842 (E_RNA) where: Base-Base interactions energy: -1522.194 where: short stacking energy: -670.911 Base-Backbone interact. energy: -2.150 local terms energy: -697.446111 where: bonds (distance) C4'-P energy: -137.856 bonds (distance) P-C4' energy: -114.108 flat angles C4'-P-C4' energy: -144.230 flat angles P-C4'-P energy: -106.153 tors. eta vs tors. theta energy: -195.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2065.027443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.027443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.027443 (E_RNA) where: Base-Base interactions energy: -1392.697 where: short stacking energy: -580.833 Base-Backbone interact. energy: -1.566 local terms energy: -670.764483 where: bonds (distance) C4'-P energy: -129.848 bonds (distance) P-C4' energy: -127.193 flat angles C4'-P-C4' energy: -138.020 flat angles P-C4'-P energy: -102.705 tors. eta vs tors. theta energy: -172.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1936.509041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.509041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.509041 (E_RNA) where: Base-Base interactions energy: -1285.518 where: short stacking energy: -560.634 Base-Backbone interact. energy: 1.613 local terms energy: -652.604451 where: bonds (distance) C4'-P energy: -108.094 bonds (distance) P-C4' energy: -139.397 flat angles C4'-P-C4' energy: -163.926 flat angles P-C4'-P energy: -95.306 tors. eta vs tors. theta energy: -145.881 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: 7, replica: 6 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1721.710716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.710716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.710716 (E_RNA) where: Base-Base interactions energy: -1143.095 where: short stacking energy: -488.204 Base-Backbone interact. energy: 2.256 local terms energy: -580.871115 where: bonds (distance) C4'-P energy: -114.015 bonds (distance) P-C4' energy: -135.202 flat angles C4'-P-C4' energy: -135.397 flat angles P-C4'-P energy: -85.273 tors. eta vs tors. theta energy: -110.985 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: 2 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1557.786676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.786676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.786676 (E_RNA) where: Base-Base interactions energy: -1002.511 where: short stacking energy: -447.566 Base-Backbone interact. energy: 1.255 local terms energy: -556.530918 where: bonds (distance) C4'-P energy: -107.663 bonds (distance) P-C4' energy: -133.639 flat angles C4'-P-C4' energy: -137.491 flat angles P-C4'-P energy: -87.825 tors. eta vs tors. theta energy: -89.914 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: 5 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1085.525078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.525078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.525078 (E_RNA) where: Base-Base interactions energy: -615.231 where: short stacking energy: -313.677 Base-Backbone interact. energy: 0.902 local terms energy: -471.196566 where: bonds (distance) C4'-P energy: -123.668 bonds (distance) P-C4' energy: -126.225 flat angles C4'-P-C4' energy: -115.183 flat angles P-C4'-P energy: -83.610 tors. eta vs tors. theta energy: -22.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -760.103264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.103264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.103264 (E_RNA) where: Base-Base interactions energy: -397.801 where: short stacking energy: -210.275 Base-Backbone interact. energy: -0.416 local terms energy: -361.886164 where: bonds (distance) C4'-P energy: -95.720 bonds (distance) P-C4' energy: -121.002 flat angles C4'-P-C4' energy: -101.018 flat angles P-C4'-P energy: -50.200 tors. eta vs tors. theta energy: 6.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2632.662012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.662012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.662012 (E_RNA) where: Base-Base interactions energy: -1818.812 where: short stacking energy: -781.298 Base-Backbone interact. energy: -5.004 local terms energy: -808.846014 where: bonds (distance) C4'-P energy: -159.274 bonds (distance) P-C4' energy: -154.081 flat angles C4'-P-C4' energy: -162.302 flat angles P-C4'-P energy: -110.941 tors. eta vs tors. theta energy: -222.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2521.387959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.387959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.387959 (E_RNA) where: Base-Base interactions energy: -1757.694 where: short stacking energy: -745.297 Base-Backbone interact. energy: -5.117 local terms energy: -758.576297 where: bonds (distance) C4'-P energy: -150.365 bonds (distance) P-C4' energy: -134.910 flat angles C4'-P-C4' energy: -141.018 flat angles P-C4'-P energy: -115.934 tors. eta vs tors. theta energy: -216.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2476.976504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.976504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.976504 (E_RNA) where: Base-Base interactions energy: -1706.984 where: short stacking energy: -729.713 Base-Backbone interact. energy: -3.852 local terms energy: -766.140320 where: bonds (distance) C4'-P energy: -124.308 bonds (distance) P-C4' energy: -149.883 flat angles C4'-P-C4' energy: -163.919 flat angles P-C4'-P energy: -112.561 tors. eta vs tors. theta energy: -215.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2169.111393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.111393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.111393 (E_RNA) where: Base-Base interactions energy: -1469.879 where: short stacking energy: -652.267 Base-Backbone interact. energy: -3.570 local terms energy: -695.662545 where: bonds (distance) C4'-P energy: -130.545 bonds (distance) P-C4' energy: -144.540 flat angles C4'-P-C4' energy: -134.943 flat angles P-C4'-P energy: -94.335 tors. eta vs tors. theta energy: -191.299 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: 3 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2059.266954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.266954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.266954 (E_RNA) where: Base-Base interactions energy: -1398.166 where: short stacking energy: -598.430 Base-Backbone interact. energy: -1.419 local terms energy: -659.681729 where: bonds (distance) C4'-P energy: -129.347 bonds (distance) P-C4' energy: -132.560 flat angles C4'-P-C4' energy: -148.802 flat angles P-C4'-P energy: -101.280 tors. eta vs tors. theta energy: -147.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1979.519671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.519671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.519671 (E_RNA) where: Base-Base interactions energy: -1334.481 where: short stacking energy: -570.401 Base-Backbone interact. energy: -2.108 local terms energy: -642.930997 where: bonds (distance) C4'-P energy: -132.112 bonds (distance) P-C4' energy: -114.632 flat angles C4'-P-C4' energy: -147.071 flat angles P-C4'-P energy: -84.970 tors. eta vs tors. theta energy: -164.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1736.276182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.276182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.276182 (E_RNA) where: Base-Base interactions energy: -1134.450 where: short stacking energy: -493.858 Base-Backbone interact. energy: -4.435 local terms energy: -597.390903 where: bonds (distance) C4'-P energy: -121.527 bonds (distance) P-C4' energy: -123.147 flat angles C4'-P-C4' energy: -125.556 flat angles P-C4'-P energy: -94.387 tors. eta vs tors. theta energy: -132.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1559.290256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.290256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.290256 (E_RNA) where: Base-Base interactions energy: -990.162 where: short stacking energy: -477.643 Base-Backbone interact. energy: -2.005 local terms energy: -567.122498 where: bonds (distance) C4'-P energy: -127.080 bonds (distance) P-C4' energy: -120.327 flat angles C4'-P-C4' energy: -125.143 flat angles P-C4'-P energy: -80.827 tors. eta vs tors. theta energy: -113.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1065.469672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.469672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.469672 (E_RNA) where: Base-Base interactions energy: -609.598 where: short stacking energy: -310.273 Base-Backbone interact. energy: -2.560 local terms energy: -453.311292 where: bonds (distance) C4'-P energy: -130.824 bonds (distance) P-C4' energy: -114.851 flat angles C4'-P-C4' energy: -98.404 flat angles P-C4'-P energy: -49.712 tors. eta vs tors. theta energy: -59.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -753.276771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.276771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.276771 (E_RNA) where: Base-Base interactions energy: -384.624 where: short stacking energy: -228.652 Base-Backbone interact. energy: 1.158 local terms energy: -369.810418 where: bonds (distance) C4'-P energy: -119.456 bonds (distance) P-C4' energy: -126.364 flat angles C4'-P-C4' energy: -82.976 flat angles P-C4'-P energy: -43.573 tors. eta vs tors. theta energy: 2.557 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: 1, replica: 4 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2616.174851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.174851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.174851 (E_RNA) where: Base-Base interactions energy: -1813.347 where: short stacking energy: -754.693 Base-Backbone interact. energy: -4.676 local terms energy: -798.151155 where: bonds (distance) C4'-P energy: -155.113 bonds (distance) P-C4' energy: -145.870 flat angles C4'-P-C4' energy: -165.860 flat angles P-C4'-P energy: -111.341 tors. eta vs tors. theta energy: -219.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2503.179449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.179449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.179449 (E_RNA) where: Base-Base interactions energy: -1726.537 where: short stacking energy: -731.035 Base-Backbone interact. energy: -1.624 local terms energy: -775.018968 where: bonds (distance) C4'-P energy: -135.910 bonds (distance) P-C4' energy: -151.588 flat angles C4'-P-C4' energy: -149.510 flat angles P-C4'-P energy: -108.805 tors. eta vs tors. theta energy: -229.206 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: 1 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2455.510463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.510463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.510463 (E_RNA) where: Base-Base interactions energy: -1698.814 where: short stacking energy: -703.336 Base-Backbone interact. energy: -5.310 local terms energy: -751.387016 where: bonds (distance) C4'-P energy: -138.396 bonds (distance) P-C4' energy: -134.748 flat angles C4'-P-C4' energy: -163.934 flat angles P-C4'-P energy: -112.474 tors. eta vs tors. theta energy: -201.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2161.664567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.664567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.664567 (E_RNA) where: Base-Base interactions energy: -1469.124 where: short stacking energy: -625.009 Base-Backbone interact. energy: -0.599 local terms energy: -691.940814 where: bonds (distance) C4'-P energy: -130.504 bonds (distance) P-C4' energy: -146.940 flat angles C4'-P-C4' energy: -148.068 flat angles P-C4'-P energy: -102.822 tors. eta vs tors. theta energy: -163.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2134.954341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.954341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.954341 (E_RNA) where: Base-Base interactions energy: -1450.889 where: short stacking energy: -621.486 Base-Backbone interact. energy: -1.536 local terms energy: -682.529358 where: bonds (distance) C4'-P energy: -122.167 bonds (distance) P-C4' energy: -150.711 flat angles C4'-P-C4' energy: -154.348 flat angles P-C4'-P energy: -82.022 tors. eta vs tors. theta energy: -173.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2014.397791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.397791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.397791 (E_RNA) where: Base-Base interactions energy: -1381.344 where: short stacking energy: -591.816 Base-Backbone interact. energy: -2.086 local terms energy: -630.967318 where: bonds (distance) C4'-P energy: -135.437 bonds (distance) P-C4' energy: -123.239 flat angles C4'-P-C4' energy: -126.313 flat angles P-C4'-P energy: -81.573 tors. eta vs tors. theta energy: -164.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1710.691545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.691545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.691545 (E_RNA) where: Base-Base interactions energy: -1133.003 where: short stacking energy: -514.656 Base-Backbone interact. energy: -2.611 local terms energy: -575.077064 where: bonds (distance) C4'-P energy: -121.095 bonds (distance) P-C4' energy: -133.112 flat angles C4'-P-C4' energy: -132.549 flat angles P-C4'-P energy: -76.310 tors. eta vs tors. theta energy: -112.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1561.668565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.668565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.668565 (E_RNA) where: Base-Base interactions energy: -1027.982 where: short stacking energy: -428.099 Base-Backbone interact. energy: -1.289 local terms energy: -532.397253 where: bonds (distance) C4'-P energy: -110.047 bonds (distance) P-C4' energy: -139.660 flat angles C4'-P-C4' energy: -128.423 flat angles P-C4'-P energy: -73.132 tors. eta vs tors. theta energy: -81.136 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: 9, replica: 5 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1059.551882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.551882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.551882 (E_RNA) where: Base-Base interactions energy: -582.275 where: short stacking energy: -296.400 Base-Backbone interact. energy: 3.694 local terms energy: -480.971641 where: bonds (distance) C4'-P energy: -112.747 bonds (distance) P-C4' energy: -142.158 flat angles C4'-P-C4' energy: -117.221 flat angles P-C4'-P energy: -74.021 tors. eta vs tors. theta energy: -34.824 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: 10, replica: 9 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -772.990747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.990747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.990747 (E_RNA) where: Base-Base interactions energy: -381.718 where: short stacking energy: -227.218 Base-Backbone interact. energy: -0.858 local terms energy: -390.415281 where: bonds (distance) C4'-P energy: -112.984 bonds (distance) P-C4' energy: -116.806 flat angles C4'-P-C4' energy: -107.069 flat angles P-C4'-P energy: -65.466 tors. eta vs tors. theta energy: 11.909 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: 4 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2635.710859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.710859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.710859 (E_RNA) where: Base-Base interactions energy: -1823.891 where: short stacking energy: -775.601 Base-Backbone interact. energy: -3.331 local terms energy: -808.488560 where: bonds (distance) C4'-P energy: -145.861 bonds (distance) P-C4' energy: -162.715 flat angles C4'-P-C4' energy: -161.999 flat angles P-C4'-P energy: -116.047 tors. eta vs tors. theta energy: -221.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2515.891001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.891001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.891001 (E_RNA) where: Base-Base interactions energy: -1730.000 where: short stacking energy: -712.347 Base-Backbone interact. energy: -0.829 local terms energy: -785.061320 where: bonds (distance) C4'-P energy: -144.451 bonds (distance) P-C4' energy: -153.826 flat angles C4'-P-C4' energy: -169.963 flat angles P-C4'-P energy: -109.121 tors. eta vs tors. theta energy: -207.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2517.226512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.226512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.226512 (E_RNA) where: Base-Base interactions energy: -1744.357 where: short stacking energy: -756.593 Base-Backbone interact. energy: -2.638 local terms energy: -770.231170 where: bonds (distance) C4'-P energy: -143.336 bonds (distance) P-C4' energy: -134.496 flat angles C4'-P-C4' energy: -163.811 flat angles P-C4'-P energy: -106.491 tors. eta vs tors. theta energy: -222.097 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: 7 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2216.031482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.031482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.031482 (E_RNA) where: Base-Base interactions energy: -1522.232 where: short stacking energy: -658.547 Base-Backbone interact. energy: -4.815 local terms energy: -688.984371 where: bonds (distance) C4'-P energy: -139.075 bonds (distance) P-C4' energy: -119.977 flat angles C4'-P-C4' energy: -155.225 flat angles P-C4'-P energy: -98.188 tors. eta vs tors. theta energy: -176.519 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: 10 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2138.921907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.921907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.921907 (E_RNA) where: Base-Base interactions energy: -1460.676 where: short stacking energy: -597.724 Base-Backbone interact. energy: -4.141 local terms energy: -674.105047 where: bonds (distance) C4'-P energy: -130.582 bonds (distance) P-C4' energy: -134.655 flat angles C4'-P-C4' energy: -147.862 flat angles P-C4'-P energy: -101.665 tors. eta vs tors. theta energy: -159.340 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: 3 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2020.235029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.235029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.235029 (E_RNA) where: Base-Base interactions energy: -1366.532 where: short stacking energy: -562.007 Base-Backbone interact. energy: -2.526 local terms energy: -651.176894 where: bonds (distance) C4'-P energy: -107.743 bonds (distance) P-C4' energy: -149.013 flat angles C4'-P-C4' energy: -139.464 flat angles P-C4'-P energy: -98.793 tors. eta vs tors. theta energy: -156.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1714.072836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.072836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.072836 (E_RNA) where: Base-Base interactions energy: -1112.588 where: short stacking energy: -504.016 Base-Backbone interact. energy: -0.030 local terms energy: -601.454733 where: bonds (distance) C4'-P energy: -152.136 bonds (distance) P-C4' energy: -138.585 flat angles C4'-P-C4' energy: -129.908 flat angles P-C4'-P energy: -72.002 tors. eta vs tors. theta energy: -108.824 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: 2 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1518.163566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.163566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.163566 (E_RNA) where: Base-Base interactions energy: -999.594 where: short stacking energy: -432.750 Base-Backbone interact. energy: -1.529 local terms energy: -517.040446 where: bonds (distance) C4'-P energy: -98.038 bonds (distance) P-C4' energy: -137.437 flat angles C4'-P-C4' energy: -134.780 flat angles P-C4'-P energy: -73.277 tors. eta vs tors. theta energy: -73.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1040.564342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.564342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.564342 (E_RNA) where: Base-Base interactions energy: -574.086 where: short stacking energy: -283.151 Base-Backbone interact. energy: 0.626 local terms energy: -467.104316 where: bonds (distance) C4'-P energy: -120.134 bonds (distance) P-C4' energy: -121.819 flat angles C4'-P-C4' energy: -113.321 flat angles P-C4'-P energy: -82.472 tors. eta vs tors. theta energy: -29.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -762.317902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.317902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.317902 (E_RNA) where: Base-Base interactions energy: -382.302 where: short stacking energy: -219.050 Base-Backbone interact. energy: 1.497 local terms energy: -381.512412 where: bonds (distance) C4'-P energy: -111.142 bonds (distance) P-C4' energy: -119.774 flat angles C4'-P-C4' energy: -90.495 flat angles P-C4'-P energy: -70.946 tors. eta vs tors. theta energy: 10.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2586.980195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.980195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.980195 (E_RNA) where: Base-Base interactions energy: -1795.542 where: short stacking energy: -742.284 Base-Backbone interact. energy: 0.570 local terms energy: -792.008529 where: bonds (distance) C4'-P energy: -134.628 bonds (distance) P-C4' energy: -152.727 flat angles C4'-P-C4' energy: -171.153 flat angles P-C4'-P energy: -117.525 tors. eta vs tors. theta energy: -215.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2573.549241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.549241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.549241 (E_RNA) where: Base-Base interactions energy: -1784.713 where: short stacking energy: -783.731 Base-Backbone interact. energy: -3.305 local terms energy: -785.531227 where: bonds (distance) C4'-P energy: -146.724 bonds (distance) P-C4' energy: -153.554 flat angles C4'-P-C4' energy: -159.830 flat angles P-C4'-P energy: -93.335 tors. eta vs tors. theta energy: -232.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2511.329434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.329434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.329434 (E_RNA) where: Base-Base interactions energy: -1734.418 where: short stacking energy: -751.398 Base-Backbone interact. energy: -4.821 local terms energy: -772.091080 where: bonds (distance) C4'-P energy: -139.561 bonds (distance) P-C4' energy: -139.765 flat angles C4'-P-C4' energy: -170.211 flat angles P-C4'-P energy: -113.992 tors. eta vs tors. theta energy: -208.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2220.183547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.183547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.183547 (E_RNA) where: Base-Base interactions energy: -1487.711 where: short stacking energy: -657.250 Base-Backbone interact. energy: -5.192 local terms energy: -727.280117 where: bonds (distance) C4'-P energy: -145.415 bonds (distance) P-C4' energy: -146.219 flat angles C4'-P-C4' energy: -161.383 flat angles P-C4'-P energy: -88.737 tors. eta vs tors. theta energy: -185.526 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: 10 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2169.376027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.376027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.376027 (E_RNA) where: Base-Base interactions energy: -1495.814 where: short stacking energy: -625.281 Base-Backbone interact. energy: -3.323 local terms energy: -670.238676 where: bonds (distance) C4'-P energy: -124.893 bonds (distance) P-C4' energy: -131.553 flat angles C4'-P-C4' energy: -144.164 flat angles P-C4'-P energy: -102.927 tors. eta vs tors. theta energy: -166.701 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: 354 Temperature: 1.150000 Total energy: -2074.156799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.156799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.156799 (E_RNA) where: Base-Base interactions energy: -1460.460 where: short stacking energy: -637.885 Base-Backbone interact. energy: 1.757 local terms energy: -615.453637 where: bonds (distance) C4'-P energy: -109.358 bonds (distance) P-C4' energy: -100.770 flat angles C4'-P-C4' energy: -154.825 flat angles P-C4'-P energy: -85.752 tors. eta vs tors. theta energy: -164.749 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: 6 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1750.625420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.625420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.625420 (E_RNA) where: Base-Base interactions energy: -1160.165 where: short stacking energy: -531.270 Base-Backbone interact. energy: -1.300 local terms energy: -589.160023 where: bonds (distance) C4'-P energy: -108.672 bonds (distance) P-C4' energy: -140.693 flat angles C4'-P-C4' energy: -134.504 flat angles P-C4'-P energy: -82.556 tors. eta vs tors. theta energy: -122.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1553.483516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.483516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.483516 (E_RNA) where: Base-Base interactions energy: -993.346 where: short stacking energy: -432.523 Base-Backbone interact. energy: -1.761 local terms energy: -558.376785 where: bonds (distance) C4'-P energy: -119.230 bonds (distance) P-C4' energy: -130.837 flat angles C4'-P-C4' energy: -131.558 flat angles P-C4'-P energy: -78.867 tors. eta vs tors. theta energy: -97.885 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: 5 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1020.654599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.654599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.654599 (E_RNA) where: Base-Base interactions energy: -609.899 where: short stacking energy: -285.709 Base-Backbone interact. energy: 2.460 local terms energy: -413.216399 where: bonds (distance) C4'-P energy: -113.505 bonds (distance) P-C4' energy: -111.842 flat angles C4'-P-C4' energy: -107.683 flat angles P-C4'-P energy: -60.723 tors. eta vs tors. theta energy: -19.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -770.501948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.501948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.501948 (E_RNA) where: Base-Base interactions energy: -407.217 where: short stacking energy: -228.286 Base-Backbone interact. energy: 1.699 local terms energy: -364.983937 where: bonds (distance) C4'-P energy: -83.572 bonds (distance) P-C4' energy: -125.164 flat angles C4'-P-C4' energy: -97.570 flat angles P-C4'-P energy: -52.200 tors. eta vs tors. theta energy: -6.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2606.148424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.148424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.148424 (E_RNA) where: Base-Base interactions energy: -1783.642 where: short stacking energy: -759.810 Base-Backbone interact. energy: -3.296 local terms energy: -819.210218 where: bonds (distance) C4'-P energy: -143.335 bonds (distance) P-C4' energy: -145.639 flat angles C4'-P-C4' energy: -173.074 flat angles P-C4'-P energy: -134.115 tors. eta vs tors. theta energy: -223.047 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: 8 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2579.656153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.656153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.656153 (E_RNA) where: Base-Base interactions energy: -1776.452 where: short stacking energy: -767.165 Base-Backbone interact. energy: -2.524 local terms energy: -800.680012 where: bonds (distance) C4'-P energy: -141.995 bonds (distance) P-C4' energy: -149.894 flat angles C4'-P-C4' energy: -174.818 flat angles P-C4'-P energy: -108.441 tors. eta vs tors. theta energy: -225.532 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: 4 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2503.951374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.951374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.951374 (E_RNA) where: Base-Base interactions energy: -1724.602 where: short stacking energy: -755.304 Base-Backbone interact. energy: -2.751 local terms energy: -776.598171 where: bonds (distance) C4'-P energy: -148.088 bonds (distance) P-C4' energy: -151.073 flat angles C4'-P-C4' energy: -160.186 flat angles P-C4'-P energy: -100.130 tors. eta vs tors. theta energy: -217.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2251.885870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.885870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.885870 (E_RNA) where: Base-Base interactions energy: -1501.652 where: short stacking energy: -669.525 Base-Backbone interact. energy: -2.863 local terms energy: -747.371138 where: bonds (distance) C4'-P energy: -145.729 bonds (distance) P-C4' energy: -140.455 flat angles C4'-P-C4' energy: -155.676 flat angles P-C4'-P energy: -112.612 tors. eta vs tors. theta energy: -192.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2107.779902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.779902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.779902 (E_RNA) where: Base-Base interactions energy: -1445.139 where: short stacking energy: -621.793 Base-Backbone interact. energy: -2.560 local terms energy: -660.079975 where: bonds (distance) C4'-P energy: -123.920 bonds (distance) P-C4' energy: -130.855 flat angles C4'-P-C4' energy: -160.362 flat angles P-C4'-P energy: -78.040 tors. eta vs tors. theta energy: -166.903 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: 3 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2044.608625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.608625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.608625 (E_RNA) where: Base-Base interactions energy: -1379.618 where: short stacking energy: -585.749 Base-Backbone interact. energy: -0.106 local terms energy: -664.885023 where: bonds (distance) C4'-P energy: -123.974 bonds (distance) P-C4' energy: -135.106 flat angles C4'-P-C4' energy: -146.790 flat angles P-C4'-P energy: -100.445 tors. eta vs tors. theta energy: -158.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1711.837675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.837675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.837675 (E_RNA) where: Base-Base interactions energy: -1135.865 where: short stacking energy: -495.719 Base-Backbone interact. energy: -1.047 local terms energy: -574.926157 where: bonds (distance) C4'-P energy: -103.358 bonds (distance) P-C4' energy: -133.884 flat angles C4'-P-C4' energy: -145.469 flat angles P-C4'-P energy: -79.155 tors. eta vs tors. theta energy: -113.061 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: 2 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1598.837150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.837150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.837150 (E_RNA) where: Base-Base interactions energy: -1048.379 where: short stacking energy: -462.274 Base-Backbone interact. energy: -1.858 local terms energy: -548.599722 where: bonds (distance) C4'-P energy: -123.917 bonds (distance) P-C4' energy: -120.540 flat angles C4'-P-C4' energy: -139.640 flat angles P-C4'-P energy: -74.138 tors. eta vs tors. theta energy: -90.364 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: 5 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1140.256450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.256450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.256450 (E_RNA) where: Base-Base interactions energy: -648.461 where: short stacking energy: -284.468 Base-Backbone interact. energy: -0.358 local terms energy: -491.436644 where: bonds (distance) C4'-P energy: -129.457 bonds (distance) P-C4' energy: -112.845 flat angles C4'-P-C4' energy: -112.341 flat angles P-C4'-P energy: -98.991 tors. eta vs tors. theta energy: -37.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -720.988697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.988697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.988697 (E_RNA) where: Base-Base interactions energy: -334.189 where: short stacking energy: -195.928 Base-Backbone interact. energy: 5.921 local terms energy: -392.721000 where: bonds (distance) C4'-P energy: -121.915 bonds (distance) P-C4' energy: -131.765 flat angles C4'-P-C4' energy: -104.821 flat angles P-C4'-P energy: -58.429 tors. eta vs tors. theta energy: 24.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2592.377706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.377706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.377706 (E_RNA) where: Base-Base interactions energy: -1759.350 where: short stacking energy: -754.117 Base-Backbone interact. energy: -4.552 local terms energy: -828.475533 where: bonds (distance) C4'-P energy: -145.689 bonds (distance) P-C4' energy: -153.441 flat angles C4'-P-C4' energy: -177.324 flat angles P-C4'-P energy: -132.390 tors. eta vs tors. theta energy: -219.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2520.456793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.456793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.456793 (E_RNA) where: Base-Base interactions energy: -1718.227 where: short stacking energy: -745.188 Base-Backbone interact. energy: 1.764 local terms energy: -803.994267 where: bonds (distance) C4'-P energy: -147.182 bonds (distance) P-C4' energy: -144.833 flat angles C4'-P-C4' energy: -166.980 flat angles P-C4'-P energy: -112.820 tors. eta vs tors. theta energy: -232.179 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: 4 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2461.253288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.253288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.253288 (E_RNA) where: Base-Base interactions energy: -1712.451 where: short stacking energy: -728.585 Base-Backbone interact. energy: -0.600 local terms energy: -748.202429 where: bonds (distance) C4'-P energy: -133.339 bonds (distance) P-C4' energy: -152.307 flat angles C4'-P-C4' energy: -157.418 flat angles P-C4'-P energy: -91.155 tors. eta vs tors. theta energy: -213.983 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: 7 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2262.722483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.722483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.722483 (E_RNA) where: Base-Base interactions energy: -1536.093 where: short stacking energy: -678.182 Base-Backbone interact. energy: 0.259 local terms energy: -726.887529 where: bonds (distance) C4'-P energy: -128.928 bonds (distance) P-C4' energy: -140.342 flat angles C4'-P-C4' energy: -161.376 flat angles P-C4'-P energy: -94.187 tors. eta vs tors. theta energy: -202.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2176.490477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.490477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.490477 (E_RNA) where: Base-Base interactions energy: -1478.730 where: short stacking energy: -634.041 Base-Backbone interact. energy: 1.780 local terms energy: -699.540329 where: bonds (distance) C4'-P energy: -139.600 bonds (distance) P-C4' energy: -146.287 flat angles C4'-P-C4' energy: -155.012 flat angles P-C4'-P energy: -92.817 tors. eta vs tors. theta energy: -165.824 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: 356 Temperature: 1.150000 Total energy: -1972.687171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.687171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.687171 (E_RNA) where: Base-Base interactions energy: -1346.682 where: short stacking energy: -566.806 Base-Backbone interact. energy: 2.091 local terms energy: -628.095798 where: bonds (distance) C4'-P energy: -117.582 bonds (distance) P-C4' energy: -130.934 flat angles C4'-P-C4' energy: -149.787 flat angles P-C4'-P energy: -87.155 tors. eta vs tors. theta energy: -142.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1731.443287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.443287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.443287 (E_RNA) where: Base-Base interactions energy: -1152.266 where: short stacking energy: -503.379 Base-Backbone interact. energy: -1.099 local terms energy: -578.077889 where: bonds (distance) C4'-P energy: -127.966 bonds (distance) P-C4' energy: -127.147 flat angles C4'-P-C4' energy: -131.598 flat angles P-C4'-P energy: -68.688 tors. eta vs tors. theta energy: -122.679 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: 8, replica: 2 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1572.343909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.343909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.343909 (E_RNA) where: Base-Base interactions energy: -1028.503 where: short stacking energy: -436.470 Base-Backbone interact. energy: -1.738 local terms energy: -542.102983 where: bonds (distance) C4'-P energy: -108.426 bonds (distance) P-C4' energy: -114.608 flat angles C4'-P-C4' energy: -130.326 flat angles P-C4'-P energy: -80.046 tors. eta vs tors. theta energy: -108.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1225.666786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.666786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.666786 (E_RNA) where: Base-Base interactions energy: -707.001 where: short stacking energy: -333.686 Base-Backbone interact. energy: -0.065 local terms energy: -518.600567 where: bonds (distance) C4'-P energy: -124.793 bonds (distance) P-C4' energy: -116.349 flat angles C4'-P-C4' energy: -131.515 flat angles P-C4'-P energy: -91.434 tors. eta vs tors. theta energy: -54.509 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: 9 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -791.663325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.663325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.663325 (E_RNA) where: Base-Base interactions energy: -401.581 where: short stacking energy: -234.780 Base-Backbone interact. energy: 7.179 local terms energy: -397.261960 where: bonds (distance) C4'-P energy: -126.712 bonds (distance) P-C4' energy: -116.383 flat angles C4'-P-C4' energy: -96.618 flat angles P-C4'-P energy: -66.286 tors. eta vs tors. theta energy: 8.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2607.197128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.197128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.197128 (E_RNA) where: Base-Base interactions energy: -1804.340 where: short stacking energy: -775.491 Base-Backbone interact. energy: -3.140 local terms energy: -799.717651 where: bonds (distance) C4'-P energy: -151.310 bonds (distance) P-C4' energy: -157.693 flat angles C4'-P-C4' energy: -171.186 flat angles P-C4'-P energy: -101.954 tors. eta vs tors. theta energy: -217.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2574.544775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.544775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.544775 (E_RNA) where: Base-Base interactions energy: -1765.961 where: short stacking energy: -736.689 Base-Backbone interact. energy: -3.366 local terms energy: -805.217507 where: bonds (distance) C4'-P energy: -144.359 bonds (distance) P-C4' energy: -151.213 flat angles C4'-P-C4' energy: -172.033 flat angles P-C4'-P energy: -114.603 tors. eta vs tors. theta energy: -223.010 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: 8 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2462.167894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.167894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.167894 (E_RNA) where: Base-Base interactions energy: -1677.248 where: short stacking energy: -711.180 Base-Backbone interact. energy: -0.540 local terms energy: -784.379461 where: bonds (distance) C4'-P energy: -151.061 bonds (distance) P-C4' energy: -150.740 flat angles C4'-P-C4' energy: -153.717 flat angles P-C4'-P energy: -120.430 tors. eta vs tors. theta energy: -208.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2262.282186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.282186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.282186 (E_RNA) where: Base-Base interactions energy: -1556.113 where: short stacking energy: -673.794 Base-Backbone interact. energy: -0.706 local terms energy: -705.462991 where: bonds (distance) C4'-P energy: -128.063 bonds (distance) P-C4' energy: -128.027 flat angles C4'-P-C4' energy: -167.312 flat angles P-C4'-P energy: -101.532 tors. eta vs tors. theta energy: -180.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2183.912411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.912411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.912411 (E_RNA) where: Base-Base interactions energy: -1505.251 where: short stacking energy: -643.268 Base-Backbone interact. energy: -0.459 local terms energy: -678.203026 where: bonds (distance) C4'-P energy: -140.340 bonds (distance) P-C4' energy: -115.911 flat angles C4'-P-C4' energy: -148.561 flat angles P-C4'-P energy: -103.654 tors. eta vs tors. theta energy: -169.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1979.355621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.355621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.355621 (E_RNA) where: Base-Base interactions energy: -1358.859 where: short stacking energy: -580.504 Base-Backbone interact. energy: -0.432 local terms energy: -620.064771 where: bonds (distance) C4'-P energy: -144.742 bonds (distance) P-C4' energy: -129.070 flat angles C4'-P-C4' energy: -132.448 flat angles P-C4'-P energy: -79.020 tors. eta vs tors. theta energy: -134.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1715.865872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.865872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.865872 (E_RNA) where: Base-Base interactions energy: -1114.849 where: short stacking energy: -491.675 Base-Backbone interact. energy: 0.030 local terms energy: -601.047499 where: bonds (distance) C4'-P energy: -119.916 bonds (distance) P-C4' energy: -141.857 flat angles C4'-P-C4' energy: -133.787 flat angles P-C4'-P energy: -86.083 tors. eta vs tors. theta energy: -119.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1605.275365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.275365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.275365 (E_RNA) where: Base-Base interactions energy: -1022.043 where: short stacking energy: -456.235 Base-Backbone interact. energy: -2.214 local terms energy: -581.018641 where: bonds (distance) C4'-P energy: -122.630 bonds (distance) P-C4' energy: -127.327 flat angles C4'-P-C4' energy: -147.627 flat angles P-C4'-P energy: -76.664 tors. eta vs tors. theta energy: -106.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1259.610950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.610950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.610950 (E_RNA) where: Base-Base interactions energy: -804.808 where: short stacking energy: -363.753 Base-Backbone interact. energy: -2.487 local terms energy: -452.316141 where: bonds (distance) C4'-P energy: -131.106 bonds (distance) P-C4' energy: -113.063 flat angles C4'-P-C4' energy: -104.918 flat angles P-C4'-P energy: -70.450 tors. eta vs tors. theta energy: -32.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -766.934256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.934256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.934256 (E_RNA) where: Base-Base interactions energy: -355.408 where: short stacking energy: -216.059 Base-Backbone interact. energy: -2.854 local terms energy: -408.671856 where: bonds (distance) C4'-P energy: -116.831 bonds (distance) P-C4' energy: -129.895 flat angles C4'-P-C4' energy: -106.954 flat angles P-C4'-P energy: -58.270 tors. eta vs tors. theta energy: 3.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2569.689348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.689348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.689348 (E_RNA) where: Base-Base interactions energy: -1794.033 where: short stacking energy: -760.648 Base-Backbone interact. energy: -3.233 local terms energy: -772.423031 where: bonds (distance) C4'-P energy: -147.343 bonds (distance) P-C4' energy: -141.384 flat angles C4'-P-C4' energy: -164.364 flat angles P-C4'-P energy: -102.180 tors. eta vs tors. theta energy: -217.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2557.202846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.202846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.202846 (E_RNA) where: Base-Base interactions energy: -1790.652 where: short stacking energy: -802.285 Base-Backbone interact. energy: 1.791 local terms energy: -768.341497 where: bonds (distance) C4'-P energy: -139.336 bonds (distance) P-C4' energy: -123.834 flat angles C4'-P-C4' energy: -161.420 flat angles P-C4'-P energy: -117.640 tors. eta vs tors. theta energy: -226.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2470.688198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.688198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.688198 (E_RNA) where: Base-Base interactions energy: -1691.444 where: short stacking energy: -733.578 Base-Backbone interact. energy: -2.873 local terms energy: -776.370450 where: bonds (distance) C4'-P energy: -148.254 bonds (distance) P-C4' energy: -139.417 flat angles C4'-P-C4' energy: -170.345 flat angles P-C4'-P energy: -105.302 tors. eta vs tors. theta energy: -213.053 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: 7 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2246.780311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.780311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.780311 (E_RNA) where: Base-Base interactions energy: -1520.043 where: short stacking energy: -681.247 Base-Backbone interact. energy: -4.304 local terms energy: -722.433111 where: bonds (distance) C4'-P energy: -130.096 bonds (distance) P-C4' energy: -132.554 flat angles C4'-P-C4' energy: -157.301 flat angles P-C4'-P energy: -103.087 tors. eta vs tors. theta energy: -199.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2161.729683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.729683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.729683 (E_RNA) where: Base-Base interactions energy: -1513.176 where: short stacking energy: -636.341 Base-Backbone interact. energy: -2.251 local terms energy: -646.303519 where: bonds (distance) C4'-P energy: -126.000 bonds (distance) P-C4' energy: -134.995 flat angles C4'-P-C4' energy: -139.195 flat angles P-C4'-P energy: -83.391 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: 6, replica: 3 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1947.081352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.081352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.081352 (E_RNA) where: Base-Base interactions energy: -1333.869 where: short stacking energy: -538.639 Base-Backbone interact. energy: -3.773 local terms energy: -609.438563 where: bonds (distance) C4'-P energy: -107.237 bonds (distance) P-C4' energy: -132.456 flat angles C4'-P-C4' energy: -151.150 flat angles P-C4'-P energy: -97.600 tors. eta vs tors. theta energy: -120.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1708.895439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.895439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.895439 (E_RNA) where: Base-Base interactions energy: -1110.139 where: short stacking energy: -495.044 Base-Backbone interact. energy: -0.134 local terms energy: -598.622447 where: bonds (distance) C4'-P energy: -128.005 bonds (distance) P-C4' energy: -134.732 flat angles C4'-P-C4' energy: -136.240 flat angles P-C4'-P energy: -85.652 tors. eta vs tors. theta energy: -113.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1521.288052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.288052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.288052 (E_RNA) where: Base-Base interactions energy: -946.727 where: short stacking energy: -436.089 Base-Backbone interact. energy: -4.132 local terms energy: -570.429382 where: bonds (distance) C4'-P energy: -126.091 bonds (distance) P-C4' energy: -134.828 flat angles C4'-P-C4' energy: -123.627 flat angles P-C4'-P energy: -91.983 tors. eta vs tors. theta energy: -93.901 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: 5 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1199.961174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.961174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.961174 (E_RNA) where: Base-Base interactions energy: -736.637 where: short stacking energy: -350.818 Base-Backbone interact. energy: 2.895 local terms energy: -466.218915 where: bonds (distance) C4'-P energy: -112.392 bonds (distance) P-C4' energy: -111.654 flat angles C4'-P-C4' energy: -121.055 flat angles P-C4'-P energy: -73.481 tors. eta vs tors. theta energy: -47.637 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: 9 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -877.329199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.329199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.329199 (E_RNA) where: Base-Base interactions energy: -478.850 where: short stacking energy: -249.411 Base-Backbone interact. energy: -2.391 local terms energy: -396.087547 where: bonds (distance) C4'-P energy: -132.569 bonds (distance) P-C4' energy: -106.933 flat angles C4'-P-C4' energy: -96.551 flat angles P-C4'-P energy: -62.531 tors. eta vs tors. theta energy: 2.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2583.206262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.206262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.206262 (E_RNA) where: Base-Base interactions energy: -1774.800 where: short stacking energy: -756.740 Base-Backbone interact. energy: -2.411 local terms energy: -805.995346 where: bonds (distance) C4'-P energy: -169.992 bonds (distance) P-C4' energy: -161.382 flat angles C4'-P-C4' energy: -162.439 flat angles P-C4'-P energy: -102.053 tors. eta vs tors. theta energy: -210.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2557.928575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.928575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.928575 (E_RNA) where: Base-Base interactions energy: -1761.221 where: short stacking energy: -778.494 Base-Backbone interact. energy: -4.435 local terms energy: -792.272826 where: bonds (distance) C4'-P energy: -145.122 bonds (distance) P-C4' energy: -143.809 flat angles C4'-P-C4' energy: -163.785 flat angles P-C4'-P energy: -116.814 tors. eta vs tors. theta energy: -222.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2453.955083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.955083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.955083 (E_RNA) where: Base-Base interactions energy: -1692.062 where: short stacking energy: -722.762 Base-Backbone interact. energy: -0.950 local terms energy: -760.943228 where: bonds (distance) C4'-P energy: -147.591 bonds (distance) P-C4' energy: -130.593 flat angles C4'-P-C4' energy: -164.796 flat angles P-C4'-P energy: -108.365 tors. eta vs tors. theta energy: -209.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2260.613371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.613371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.613371 (E_RNA) where: Base-Base interactions energy: -1507.305 where: short stacking energy: -682.497 Base-Backbone interact. energy: 0.152 local terms energy: -753.459724 where: bonds (distance) C4'-P energy: -128.738 bonds (distance) P-C4' energy: -153.125 flat angles C4'-P-C4' energy: -156.671 flat angles P-C4'-P energy: -99.822 tors. eta vs tors. theta energy: -215.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2225.960934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.960934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.960934 (E_RNA) where: Base-Base interactions energy: -1515.609 where: short stacking energy: -642.442 Base-Backbone interact. energy: -2.883 local terms energy: -707.468823 where: bonds (distance) C4'-P energy: -141.681 bonds (distance) P-C4' energy: -133.841 flat angles C4'-P-C4' energy: -152.862 flat angles P-C4'-P energy: -108.473 tors. eta vs tors. theta energy: -170.612 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: 3 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1978.124029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.124029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.124029 (E_RNA) where: Base-Base interactions energy: -1351.092 where: short stacking energy: -532.731 Base-Backbone interact. energy: -0.571 local terms energy: -626.461253 where: bonds (distance) C4'-P energy: -120.934 bonds (distance) P-C4' energy: -134.048 flat angles C4'-P-C4' energy: -139.322 flat angles P-C4'-P energy: -100.493 tors. eta vs tors. theta energy: -131.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1689.256043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.256043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.256043 (E_RNA) where: Base-Base interactions energy: -1109.686 where: short stacking energy: -486.959 Base-Backbone interact. energy: 2.334 local terms energy: -581.904081 where: bonds (distance) C4'-P energy: -120.674 bonds (distance) P-C4' energy: -125.888 flat angles C4'-P-C4' energy: -142.662 flat angles P-C4'-P energy: -68.410 tors. eta vs tors. theta energy: -124.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1303.702031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.702031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.702031 (E_RNA) where: Base-Base interactions energy: -833.783 where: short stacking energy: -365.945 Base-Backbone interact. energy: -2.074 local terms energy: -467.844795 where: bonds (distance) C4'-P energy: -85.123 bonds (distance) P-C4' energy: -117.314 flat angles C4'-P-C4' energy: -111.674 flat angles P-C4'-P energy: -83.688 tors. eta vs tors. theta energy: -70.045 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: 2 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1460.532137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.532137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.532137 (E_RNA) where: Base-Base interactions energy: -958.607 where: short stacking energy: -439.958 Base-Backbone interact. energy: 2.164 local terms energy: -504.089022 where: bonds (distance) C4'-P energy: -125.820 bonds (distance) P-C4' energy: -110.898 flat angles C4'-P-C4' energy: -118.296 flat angles P-C4'-P energy: -58.494 tors. eta vs tors. theta energy: -90.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -845.359203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.359203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.359203 (E_RNA) where: Base-Base interactions energy: -470.520 where: short stacking energy: -233.798 Base-Backbone interact. energy: 2.313 local terms energy: -377.152663 where: bonds (distance) C4'-P energy: -118.755 bonds (distance) P-C4' energy: -117.544 flat angles C4'-P-C4' energy: -86.757 flat angles P-C4'-P energy: -49.890 tors. eta vs tors. theta energy: -4.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2572.885487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.885487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.885487 (E_RNA) where: Base-Base interactions energy: -1752.023 where: short stacking energy: -769.442 Base-Backbone interact. energy: -3.497 local terms energy: -817.365693 where: bonds (distance) C4'-P energy: -159.689 bonds (distance) P-C4' energy: -166.040 flat angles C4'-P-C4' energy: -169.355 flat angles P-C4'-P energy: -105.585 tors. eta vs tors. theta energy: -216.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2496.476843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.476843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.476843 (E_RNA) where: Base-Base interactions energy: -1723.484 where: short stacking energy: -742.090 Base-Backbone interact. energy: -2.812 local terms energy: -770.180782 where: bonds (distance) C4'-P energy: -141.655 bonds (distance) P-C4' energy: -144.369 flat angles C4'-P-C4' energy: -168.802 flat angles P-C4'-P energy: -107.014 tors. eta vs tors. theta energy: -208.340 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: 8 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2435.045542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.045542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.045542 (E_RNA) where: Base-Base interactions energy: -1683.559 where: short stacking energy: -726.944 Base-Backbone interact. energy: -1.994 local terms energy: -749.493357 where: bonds (distance) C4'-P energy: -141.654 bonds (distance) P-C4' energy: -123.266 flat angles C4'-P-C4' energy: -154.501 flat angles P-C4'-P energy: -117.984 tors. eta vs tors. theta energy: -212.088 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: 7 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2256.712796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.712796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.712796 (E_RNA) where: Base-Base interactions energy: -1519.789 where: short stacking energy: -704.051 Base-Backbone interact. energy: -3.261 local terms energy: -733.663268 where: bonds (distance) C4'-P energy: -133.012 bonds (distance) P-C4' energy: -132.645 flat angles C4'-P-C4' energy: -171.197 flat angles P-C4'-P energy: -88.423 tors. eta vs tors. theta energy: -208.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2187.541071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.541071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.541071 (E_RNA) where: Base-Base interactions energy: -1494.080 where: short stacking energy: -599.432 Base-Backbone interact. energy: -2.010 local terms energy: -691.450530 where: bonds (distance) C4'-P energy: -122.806 bonds (distance) P-C4' energy: -145.126 flat angles C4'-P-C4' energy: -151.429 flat angles P-C4'-P energy: -103.719 tors. eta vs tors. theta energy: -168.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1988.678940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.678940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.678940 (E_RNA) where: Base-Base interactions energy: -1389.597 where: short stacking energy: -554.636 Base-Backbone interact. energy: 0.960 local terms energy: -600.042285 where: bonds (distance) C4'-P energy: -103.418 bonds (distance) P-C4' energy: -141.623 flat angles C4'-P-C4' energy: -137.210 flat angles P-C4'-P energy: -75.779 tors. eta vs tors. theta energy: -142.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1709.862548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.862548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.862548 (E_RNA) where: Base-Base interactions energy: -1115.712 where: short stacking energy: -496.328 Base-Backbone interact. energy: -0.030 local terms energy: -594.121240 where: bonds (distance) C4'-P energy: -113.926 bonds (distance) P-C4' energy: -148.084 flat angles C4'-P-C4' energy: -148.504 flat angles P-C4'-P energy: -81.278 tors. eta vs tors. theta energy: -102.330 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: 5 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1336.526662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.526662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.526662 (E_RNA) where: Base-Base interactions energy: -824.287 where: short stacking energy: -402.470 Base-Backbone interact. energy: 0.703 local terms energy: -512.943053 where: bonds (distance) C4'-P energy: -106.999 bonds (distance) P-C4' energy: -134.767 flat angles C4'-P-C4' energy: -117.012 flat angles P-C4'-P energy: -75.934 tors. eta vs tors. theta energy: -78.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1373.434320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.434320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.434320 (E_RNA) where: Base-Base interactions energy: -883.145 where: short stacking energy: -381.116 Base-Backbone interact. energy: -2.395 local terms energy: -487.893886 where: bonds (distance) C4'-P energy: -119.253 bonds (distance) P-C4' energy: -119.159 flat angles C4'-P-C4' energy: -97.792 flat angles P-C4'-P energy: -79.824 tors. eta vs tors. theta energy: -71.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -816.471859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.471859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.471859 (E_RNA) where: Base-Base interactions energy: -439.103 where: short stacking energy: -233.554 Base-Backbone interact. energy: 3.245 local terms energy: -380.613933 where: bonds (distance) C4'-P energy: -103.007 bonds (distance) P-C4' energy: -122.853 flat angles C4'-P-C4' energy: -117.808 flat angles P-C4'-P energy: -50.508 tors. eta vs tors. theta energy: 13.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2597.807710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.807710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.807710 (E_RNA) where: Base-Base interactions energy: -1781.954 where: short stacking energy: -763.542 Base-Backbone interact. energy: -1.730 local terms energy: -814.123022 where: bonds (distance) C4'-P energy: -143.918 bonds (distance) P-C4' energy: -158.146 flat angles C4'-P-C4' energy: -178.626 flat angles P-C4'-P energy: -120.730 tors. eta vs tors. theta energy: -212.703 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: 2, replica: 4 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2536.933869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.933869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.933869 (E_RNA) where: Base-Base interactions energy: -1767.364 where: short stacking energy: -774.915 Base-Backbone interact. energy: -2.419 local terms energy: -767.151035 where: bonds (distance) C4'-P energy: -138.132 bonds (distance) P-C4' energy: -140.852 flat angles C4'-P-C4' energy: -165.700 flat angles P-C4'-P energy: -101.630 tors. eta vs tors. theta energy: -220.837 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: 8 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2467.967993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.967993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.967993 (E_RNA) where: Base-Base interactions energy: -1721.854 where: short stacking energy: -732.558 Base-Backbone interact. energy: -4.513 local terms energy: -741.601252 where: bonds (distance) C4'-P energy: -126.397 bonds (distance) P-C4' energy: -135.729 flat angles C4'-P-C4' energy: -153.056 flat angles P-C4'-P energy: -103.202 tors. eta vs tors. theta energy: -223.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2254.175958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.175958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.175958 (E_RNA) where: Base-Base interactions energy: -1529.901 where: short stacking energy: -648.727 Base-Backbone interact. energy: -4.196 local terms energy: -720.078438 where: bonds (distance) C4'-P energy: -140.290 bonds (distance) P-C4' energy: -148.733 flat angles C4'-P-C4' energy: -156.462 flat angles P-C4'-P energy: -86.730 tors. eta vs tors. theta energy: -187.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2137.198587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.198587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.198587 (E_RNA) where: Base-Base interactions energy: -1434.415 where: short stacking energy: -604.269 Base-Backbone interact. energy: 0.044 local terms energy: -702.827166 where: bonds (distance) C4'-P energy: -140.831 bonds (distance) P-C4' energy: -150.397 flat angles C4'-P-C4' energy: -154.036 flat angles P-C4'-P energy: -94.159 tors. eta vs tors. theta energy: -163.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1959.128831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.128831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.128831 (E_RNA) where: Base-Base interactions energy: -1314.444 where: short stacking energy: -559.998 Base-Backbone interact. energy: -2.875 local terms energy: -641.809564 where: bonds (distance) C4'-P energy: -114.094 bonds (distance) P-C4' energy: -121.170 flat angles C4'-P-C4' energy: -149.497 flat angles P-C4'-P energy: -93.414 tors. eta vs tors. theta energy: -163.635 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: 7, replica: 6 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1722.903716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.903716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.903716 (E_RNA) where: Base-Base interactions energy: -1129.096 where: short stacking energy: -503.803 Base-Backbone interact. energy: 1.834 local terms energy: -595.641968 where: bonds (distance) C4'-P energy: -121.818 bonds (distance) P-C4' energy: -149.527 flat angles C4'-P-C4' energy: -126.177 flat angles P-C4'-P energy: -84.296 tors. eta vs tors. theta energy: -113.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1454.567826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.567826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.567826 (E_RNA) where: Base-Base interactions energy: -930.743 where: short stacking energy: -393.607 Base-Backbone interact. energy: -0.779 local terms energy: -523.045622 where: bonds (distance) C4'-P energy: -126.697 bonds (distance) P-C4' energy: -121.813 flat angles C4'-P-C4' energy: -125.161 flat angles P-C4'-P energy: -62.836 tors. eta vs tors. theta energy: -86.540 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: 5 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1253.723815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.723815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.723815 (E_RNA) where: Base-Base interactions energy: -782.269 where: short stacking energy: -367.397 Base-Backbone interact. energy: -1.294 local terms energy: -470.160286 where: bonds (distance) C4'-P energy: -104.881 bonds (distance) P-C4' energy: -124.217 flat angles C4'-P-C4' energy: -112.590 flat angles P-C4'-P energy: -78.702 tors. eta vs tors. theta energy: -49.769 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: 10, replica: 9 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -896.276797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.276797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.276797 (E_RNA) where: Base-Base interactions energy: -480.740 where: short stacking energy: -250.421 Base-Backbone interact. energy: 0.972 local terms energy: -416.507960 where: bonds (distance) C4'-P energy: -132.886 bonds (distance) P-C4' energy: -127.282 flat angles C4'-P-C4' energy: -84.273 flat angles P-C4'-P energy: -59.208 tors. eta vs tors. theta energy: -12.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2595.754980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.754980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.754980 (E_RNA) where: Base-Base interactions energy: -1768.335 where: short stacking energy: -761.414 Base-Backbone interact. energy: -3.486 local terms energy: -823.933829 where: bonds (distance) C4'-P energy: -155.540 bonds (distance) P-C4' energy: -150.075 flat angles C4'-P-C4' energy: -182.708 flat angles P-C4'-P energy: -115.696 tors. eta vs tors. theta energy: -219.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2520.085462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.085462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.085462 (E_RNA) where: Base-Base interactions energy: -1765.494 where: short stacking energy: -717.554 Base-Backbone interact. energy: -0.027 local terms energy: -754.564542 where: bonds (distance) C4'-P energy: -148.660 bonds (distance) P-C4' energy: -151.778 flat angles C4'-P-C4' energy: -147.750 flat angles P-C4'-P energy: -98.005 tors. eta vs tors. theta energy: -208.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2484.257467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.257467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.257467 (E_RNA) where: Base-Base interactions energy: -1731.758 where: short stacking energy: -728.999 Base-Backbone interact. energy: 2.161 local terms energy: -754.659971 where: bonds (distance) C4'-P energy: -153.188 bonds (distance) P-C4' energy: -129.722 flat angles C4'-P-C4' energy: -154.553 flat angles P-C4'-P energy: -102.515 tors. eta vs tors. theta energy: -214.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2266.833169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.833169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.833169 (E_RNA) where: Base-Base interactions energy: -1543.437 where: short stacking energy: -695.362 Base-Backbone interact. energy: -4.084 local terms energy: -719.311568 where: bonds (distance) C4'-P energy: -127.122 bonds (distance) P-C4' energy: -137.008 flat angles C4'-P-C4' energy: -152.622 flat angles P-C4'-P energy: -92.801 tors. eta vs tors. theta energy: -209.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2138.593746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.593746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.593746 (E_RNA) where: Base-Base interactions energy: -1443.541 where: short stacking energy: -620.151 Base-Backbone interact. energy: -3.498 local terms energy: -691.554943 where: bonds (distance) C4'-P energy: -128.650 bonds (distance) P-C4' energy: -143.834 flat angles C4'-P-C4' energy: -165.514 flat angles P-C4'-P energy: -95.752 tors. eta vs tors. theta energy: -157.805 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: 3 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1955.587349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.587349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.587349 (E_RNA) where: Base-Base interactions energy: -1309.661 where: short stacking energy: -575.483 Base-Backbone interact. energy: -3.543 local terms energy: -642.382968 where: bonds (distance) C4'-P energy: -134.430 bonds (distance) P-C4' energy: -118.900 flat angles C4'-P-C4' energy: -148.639 flat angles P-C4'-P energy: -82.468 tors. eta vs tors. theta energy: -157.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1692.970030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.970030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.970030 (E_RNA) where: Base-Base interactions energy: -1120.812 where: short stacking energy: -488.895 Base-Backbone interact. energy: -1.438 local terms energy: -570.719501 where: bonds (distance) C4'-P energy: -126.665 bonds (distance) P-C4' energy: -116.497 flat angles C4'-P-C4' energy: -123.772 flat angles P-C4'-P energy: -98.948 tors. eta vs tors. theta energy: -104.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1466.550024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.550024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.550024 (E_RNA) where: Base-Base interactions energy: -923.142 where: short stacking energy: -436.945 Base-Backbone interact. energy: 0.083 local terms energy: -543.490453 where: bonds (distance) C4'-P energy: -115.438 bonds (distance) P-C4' energy: -112.299 flat angles C4'-P-C4' energy: -135.862 flat angles P-C4'-P energy: -96.926 tors. eta vs tors. theta energy: -82.965 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: 9, replica: 5 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1208.924068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.924068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.924068 (E_RNA) where: Base-Base interactions energy: -729.274 where: short stacking energy: -348.076 Base-Backbone interact. energy: -7.327 local terms energy: -472.323152 where: bonds (distance) C4'-P energy: -105.666 bonds (distance) P-C4' energy: -120.282 flat angles C4'-P-C4' energy: -114.448 flat angles P-C4'-P energy: -80.747 tors. eta vs tors. theta energy: -51.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -930.161040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.161040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.161040 (E_RNA) where: Base-Base interactions energy: -558.227 where: short stacking energy: -274.726 Base-Backbone interact. energy: 1.340 local terms energy: -373.273905 where: bonds (distance) C4'-P energy: -98.110 bonds (distance) P-C4' energy: -100.358 flat angles C4'-P-C4' energy: -120.475 flat angles P-C4'-P energy: -44.892 tors. eta vs tors. theta energy: -9.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2580.765990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.765990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.765990 (E_RNA) where: Base-Base interactions energy: -1782.472 where: short stacking energy: -770.664 Base-Backbone interact. energy: -3.355 local terms energy: -794.938899 where: bonds (distance) C4'-P energy: -133.256 bonds (distance) P-C4' energy: -148.614 flat angles C4'-P-C4' energy: -178.044 flat angles P-C4'-P energy: -118.613 tors. eta vs tors. theta energy: -216.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2526.361608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.361608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.361608 (E_RNA) where: Base-Base interactions energy: -1771.211 where: short stacking energy: -751.600 Base-Backbone interact. energy: -0.155 local terms energy: -754.995943 where: bonds (distance) C4'-P energy: -132.283 bonds (distance) P-C4' energy: -139.422 flat angles C4'-P-C4' energy: -167.282 flat angles P-C4'-P energy: -106.939 tors. eta vs tors. theta energy: -209.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2444.767498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.767498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.767498 (E_RNA) where: Base-Base interactions energy: -1690.998 where: short stacking energy: -728.460 Base-Backbone interact. energy: -0.484 local terms energy: -753.285009 where: bonds (distance) C4'-P energy: -135.113 bonds (distance) P-C4' energy: -153.899 flat angles C4'-P-C4' energy: -149.359 flat angles P-C4'-P energy: -106.458 tors. eta vs tors. theta energy: -208.456 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: 4, replica: 7 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2274.748247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.748247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.748247 (E_RNA) where: Base-Base interactions energy: -1530.896 where: short stacking energy: -709.474 Base-Backbone interact. energy: -1.951 local terms energy: -741.901328 where: bonds (distance) C4'-P energy: -125.934 bonds (distance) P-C4' energy: -147.205 flat angles C4'-P-C4' energy: -153.961 flat angles P-C4'-P energy: -111.987 tors. eta vs tors. theta energy: -202.814 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: 10 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2159.605312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.605312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.605312 (E_RNA) where: Base-Base interactions energy: -1500.042 where: short stacking energy: -637.980 Base-Backbone interact. energy: 3.336 local terms energy: -662.899249 where: bonds (distance) C4'-P energy: -104.980 bonds (distance) P-C4' energy: -142.287 flat angles C4'-P-C4' energy: -138.965 flat angles P-C4'-P energy: -104.193 tors. eta vs tors. theta energy: -172.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1925.294263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.294263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.294263 (E_RNA) where: Base-Base interactions energy: -1299.779 where: short stacking energy: -544.763 Base-Backbone interact. energy: -0.312 local terms energy: -625.202735 where: bonds (distance) C4'-P energy: -122.289 bonds (distance) P-C4' energy: -136.104 flat angles C4'-P-C4' energy: -138.521 flat angles P-C4'-P energy: -81.421 tors. eta vs tors. theta energy: -146.868 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: 363 Temperature: 1.200000 Total energy: -1711.146451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.146451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.146451 (E_RNA) where: Base-Base interactions energy: -1118.934 where: short stacking energy: -530.821 Base-Backbone interact. energy: -1.424 local terms energy: -590.787883 where: bonds (distance) C4'-P energy: -123.075 bonds (distance) P-C4' energy: -115.118 flat angles C4'-P-C4' energy: -136.384 flat angles P-C4'-P energy: -91.372 tors. eta vs tors. theta energy: -124.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1445.972909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.972909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.972909 (E_RNA) where: Base-Base interactions energy: -921.621 where: short stacking energy: -416.293 Base-Backbone interact. energy: -0.799 local terms energy: -523.553126 where: bonds (distance) C4'-P energy: -137.887 bonds (distance) P-C4' energy: -145.637 flat angles C4'-P-C4' energy: -108.792 flat angles P-C4'-P energy: -52.616 tors. eta vs tors. theta energy: -78.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1132.673767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.673767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.673767 (E_RNA) where: Base-Base interactions energy: -690.574 where: short stacking energy: -334.605 Base-Backbone interact. energy: -2.384 local terms energy: -439.715849 where: bonds (distance) C4'-P energy: -111.313 bonds (distance) P-C4' energy: -121.727 flat angles C4'-P-C4' energy: -126.208 flat angles P-C4'-P energy: -42.222 tors. eta vs tors. theta energy: -38.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -957.349915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.349915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.349915 (E_RNA) where: Base-Base interactions energy: -532.004 where: short stacking energy: -273.177 Base-Backbone interact. energy: -2.780 local terms energy: -422.566163 where: bonds (distance) C4'-P energy: -124.146 bonds (distance) P-C4' energy: -125.865 flat angles C4'-P-C4' energy: -101.176 flat angles P-C4'-P energy: -62.884 tors. eta vs tors. theta energy: -8.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2574.776963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.776963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.776963 (E_RNA) where: Base-Base interactions energy: -1773.267 where: short stacking energy: -755.499 Base-Backbone interact. energy: -4.747 local terms energy: -796.763188 where: bonds (distance) C4'-P energy: -144.610 bonds (distance) P-C4' energy: -146.397 flat angles C4'-P-C4' energy: -171.711 flat angles P-C4'-P energy: -116.879 tors. eta vs tors. theta energy: -217.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2517.119111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.119111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.119111 (E_RNA) where: Base-Base interactions energy: -1736.195 where: short stacking energy: -765.971 Base-Backbone interact. energy: -0.373 local terms energy: -780.551298 where: bonds (distance) C4'-P energy: -138.370 bonds (distance) P-C4' energy: -142.989 flat angles C4'-P-C4' energy: -153.932 flat angles P-C4'-P energy: -115.755 tors. eta vs tors. theta energy: -229.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2472.314867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.314867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.314867 (E_RNA) where: Base-Base interactions energy: -1699.916 where: short stacking energy: -728.891 Base-Backbone interact. energy: -6.873 local terms energy: -765.525393 where: bonds (distance) C4'-P energy: -146.081 bonds (distance) P-C4' energy: -142.755 flat angles C4'-P-C4' energy: -158.789 flat angles P-C4'-P energy: -111.581 tors. eta vs tors. theta energy: -206.320 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: 7 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2255.739287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.739287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.739287 (E_RNA) where: Base-Base interactions energy: -1508.401 where: short stacking energy: -659.664 Base-Backbone interact. energy: 2.861 local terms energy: -750.198935 where: bonds (distance) C4'-P energy: -143.275 bonds (distance) P-C4' energy: -147.894 flat angles C4'-P-C4' energy: -169.498 flat angles P-C4'-P energy: -105.846 tors. eta vs tors. theta energy: -183.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2173.601507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.601507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.601507 (E_RNA) where: Base-Base interactions energy: -1494.689 where: short stacking energy: -633.355 Base-Backbone interact. energy: -4.422 local terms energy: -674.489909 where: bonds (distance) C4'-P energy: -134.012 bonds (distance) P-C4' energy: -123.817 flat angles C4'-P-C4' energy: -146.655 flat angles P-C4'-P energy: -95.992 tors. eta vs tors. theta energy: -174.013 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: 3 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1995.715942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.715942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.715942 (E_RNA) where: Base-Base interactions energy: -1402.766 where: short stacking energy: -598.021 Base-Backbone interact. energy: 3.957 local terms energy: -596.906457 where: bonds (distance) C4'-P energy: -138.265 bonds (distance) P-C4' energy: -111.769 flat angles C4'-P-C4' energy: -122.745 flat angles P-C4'-P energy: -91.410 tors. eta vs tors. theta energy: -132.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1642.831994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.831994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.831994 (E_RNA) where: Base-Base interactions energy: -1053.281 where: short stacking energy: -482.390 Base-Backbone interact. energy: -4.582 local terms energy: -584.969436 where: bonds (distance) C4'-P energy: -120.820 bonds (distance) P-C4' energy: -139.206 flat angles C4'-P-C4' energy: -134.261 flat angles P-C4'-P energy: -76.537 tors. eta vs tors. theta energy: -114.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1513.430309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.430309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.430309 (E_RNA) where: Base-Base interactions energy: -934.941 where: short stacking energy: -429.215 Base-Backbone interact. energy: -3.685 local terms energy: -574.804467 where: bonds (distance) C4'-P energy: -125.097 bonds (distance) P-C4' energy: -121.864 flat angles C4'-P-C4' energy: -135.448 flat angles P-C4'-P energy: -96.081 tors. eta vs tors. theta energy: -96.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1169.097420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.097420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.097420 (E_RNA) where: Base-Base interactions energy: -711.820 where: short stacking energy: -354.281 Base-Backbone interact. energy: -1.935 local terms energy: -455.342470 where: bonds (distance) C4'-P energy: -101.921 bonds (distance) P-C4' energy: -129.419 flat angles C4'-P-C4' energy: -100.728 flat angles P-C4'-P energy: -72.597 tors. eta vs tors. theta energy: -50.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -1002.253589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.253589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.253589 (E_RNA) where: Base-Base interactions energy: -574.211 where: short stacking energy: -263.065 Base-Backbone interact. energy: 1.363 local terms energy: -429.405623 where: bonds (distance) C4'-P energy: -107.344 bonds (distance) P-C4' energy: -121.071 flat angles C4'-P-C4' energy: -113.202 flat angles P-C4'-P energy: -75.014 tors. eta vs tors. theta energy: -12.775 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: 1 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2582.616820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.616820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.616820 (E_RNA) where: Base-Base interactions energy: -1783.782 where: short stacking energy: -783.400 Base-Backbone interact. energy: -0.500 local terms energy: -798.335054 where: bonds (distance) C4'-P energy: -139.647 bonds (distance) P-C4' energy: -153.232 flat angles C4'-P-C4' energy: -178.201 flat angles P-C4'-P energy: -107.820 tors. eta vs tors. theta energy: -219.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2556.622175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.622175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.622175 (E_RNA) where: Base-Base interactions energy: -1742.082 where: short stacking energy: -776.495 Base-Backbone interact. energy: -2.184 local terms energy: -812.356520 where: bonds (distance) C4'-P energy: -142.642 bonds (distance) P-C4' energy: -144.772 flat angles C4'-P-C4' energy: -178.933 flat angles P-C4'-P energy: -118.340 tors. eta vs tors. theta energy: -227.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2505.675109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.675109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.675109 (E_RNA) where: Base-Base interactions energy: -1733.554 where: short stacking energy: -752.255 Base-Backbone interact. energy: -3.806 local terms energy: -768.314736 where: bonds (distance) C4'-P energy: -150.194 bonds (distance) P-C4' energy: -140.857 flat angles C4'-P-C4' energy: -153.769 flat angles P-C4'-P energy: -107.020 tors. eta vs tors. theta energy: -216.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2226.030582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.030582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.030582 (E_RNA) where: Base-Base interactions energy: -1531.534 where: short stacking energy: -670.405 Base-Backbone interact. energy: 1.119 local terms energy: -695.615388 where: bonds (distance) C4'-P energy: -125.611 bonds (distance) P-C4' energy: -132.427 flat angles C4'-P-C4' energy: -146.029 flat angles P-C4'-P energy: -107.599 tors. eta vs tors. theta energy: -183.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2161.228437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.228437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.228437 (E_RNA) where: Base-Base interactions energy: -1490.817 where: short stacking energy: -628.403 Base-Backbone interact. energy: 7.278 local terms energy: -677.689622 where: bonds (distance) C4'-P energy: -127.285 bonds (distance) P-C4' energy: -141.234 flat angles C4'-P-C4' energy: -147.066 flat angles P-C4'-P energy: -88.147 tors. eta vs tors. theta energy: -173.958 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: 3 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1953.054008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.054008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.054008 (E_RNA) where: Base-Base interactions energy: -1318.097 where: short stacking energy: -574.630 Base-Backbone interact. energy: -5.519 local terms energy: -629.437534 where: bonds (distance) C4'-P energy: -132.101 bonds (distance) P-C4' energy: -135.432 flat angles C4'-P-C4' energy: -147.401 flat angles P-C4'-P energy: -75.402 tors. eta vs tors. theta energy: -139.102 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: 6 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1696.495097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.495097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.495097 (E_RNA) where: Base-Base interactions energy: -1069.744 where: short stacking energy: -503.169 Base-Backbone interact. energy: -1.197 local terms energy: -625.553467 where: bonds (distance) C4'-P energy: -120.902 bonds (distance) P-C4' energy: -141.151 flat angles C4'-P-C4' energy: -142.678 flat angles P-C4'-P energy: -90.216 tors. eta vs tors. theta energy: -130.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1527.723292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.723292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.723292 (E_RNA) where: Base-Base interactions energy: -966.204 where: short stacking energy: -466.019 Base-Backbone interact. energy: -2.842 local terms energy: -558.677387 where: bonds (distance) C4'-P energy: -124.971 bonds (distance) P-C4' energy: -124.526 flat angles C4'-P-C4' energy: -134.409 flat angles P-C4'-P energy: -69.893 tors. eta vs tors. theta energy: -104.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1134.759490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.759490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.759490 (E_RNA) where: Base-Base interactions energy: -661.212 where: short stacking energy: -338.027 Base-Backbone interact. energy: 2.562 local terms energy: -476.109862 where: bonds (distance) C4'-P energy: -115.006 bonds (distance) P-C4' energy: -122.503 flat angles C4'-P-C4' energy: -120.076 flat angles P-C4'-P energy: -85.806 tors. eta vs tors. theta energy: -32.719 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: 9 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -955.065397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.065397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.065397 (E_RNA) where: Base-Base interactions energy: -542.586 where: short stacking energy: -248.774 Base-Backbone interact. energy: -0.010 local terms energy: -412.469432 where: bonds (distance) C4'-P energy: -110.470 bonds (distance) P-C4' energy: -122.414 flat angles C4'-P-C4' energy: -82.346 flat angles P-C4'-P energy: -74.898 tors. eta vs tors. theta energy: -22.342 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: 4 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2603.221113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.221113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.221113 (E_RNA) where: Base-Base interactions energy: -1785.913 where: short stacking energy: -778.925 Base-Backbone interact. energy: -6.754 local terms energy: -810.554215 where: bonds (distance) C4'-P energy: -138.562 bonds (distance) P-C4' energy: -163.279 flat angles C4'-P-C4' energy: -167.877 flat angles P-C4'-P energy: -120.063 tors. eta vs tors. theta energy: -220.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2498.418917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.418917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.418917 (E_RNA) where: Base-Base interactions energy: -1692.179 where: short stacking energy: -736.585 Base-Backbone interact. energy: -2.691 local terms energy: -803.548673 where: bonds (distance) C4'-P energy: -156.218 bonds (distance) P-C4' energy: -142.567 flat angles C4'-P-C4' energy: -168.930 flat angles P-C4'-P energy: -122.899 tors. eta vs tors. theta energy: -212.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2455.173391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.173391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.173391 (E_RNA) where: Base-Base interactions energy: -1700.603 where: short stacking energy: -721.874 Base-Backbone interact. energy: -1.237 local terms energy: -753.333122 where: bonds (distance) C4'-P energy: -138.077 bonds (distance) P-C4' energy: -145.744 flat angles C4'-P-C4' energy: -164.586 flat angles P-C4'-P energy: -106.045 tors. eta vs tors. theta energy: -198.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2173.954647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.954647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.954647 (E_RNA) where: Base-Base interactions energy: -1463.530 where: short stacking energy: -645.521 Base-Backbone interact. energy: -3.283 local terms energy: -707.141886 where: bonds (distance) C4'-P energy: -142.196 bonds (distance) P-C4' energy: -150.660 flat angles C4'-P-C4' energy: -141.382 flat angles P-C4'-P energy: -90.947 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: 5, replica: 10 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2101.382590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.382590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.382590 (E_RNA) where: Base-Base interactions energy: -1424.389 where: short stacking energy: -613.370 Base-Backbone interact. energy: -2.244 local terms energy: -674.749759 where: bonds (distance) C4'-P energy: -127.039 bonds (distance) P-C4' energy: -140.515 flat angles C4'-P-C4' energy: -142.770 flat angles P-C4'-P energy: -100.125 tors. eta vs tors. theta energy: -164.301 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: 3 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1955.127795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.127795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.127795 (E_RNA) where: Base-Base interactions energy: -1329.473 where: short stacking energy: -589.356 Base-Backbone interact. energy: -2.997 local terms energy: -622.658347 where: bonds (distance) C4'-P energy: -108.364 bonds (distance) P-C4' energy: -146.982 flat angles C4'-P-C4' energy: -117.453 flat angles P-C4'-P energy: -95.316 tors. eta vs tors. theta energy: -154.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1743.440611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.440611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.440611 (E_RNA) where: Base-Base interactions energy: -1152.831 where: short stacking energy: -525.820 Base-Backbone interact. energy: 5.135 local terms energy: -595.743711 where: bonds (distance) C4'-P energy: -120.278 bonds (distance) P-C4' energy: -123.527 flat angles C4'-P-C4' energy: -134.276 flat angles P-C4'-P energy: -94.811 tors. eta vs tors. theta energy: -122.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1538.799381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.799381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.799381 (E_RNA) where: Base-Base interactions energy: -981.154 where: short stacking energy: -436.338 Base-Backbone interact. energy: 2.739 local terms energy: -560.383464 where: bonds (distance) C4'-P energy: -118.040 bonds (distance) P-C4' energy: -132.578 flat angles C4'-P-C4' energy: -115.703 flat angles P-C4'-P energy: -100.311 tors. eta vs tors. theta energy: -93.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1172.495763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.495763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.495763 (E_RNA) where: Base-Base interactions energy: -698.549 where: short stacking energy: -341.071 Base-Backbone interact. energy: 1.025 local terms energy: -474.972315 where: bonds (distance) C4'-P energy: -109.178 bonds (distance) P-C4' energy: -120.479 flat angles C4'-P-C4' energy: -119.455 flat angles P-C4'-P energy: -80.282 tors. eta vs tors. theta energy: -45.578 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: 9 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -938.724823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.724823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.724823 (E_RNA) where: Base-Base interactions energy: -495.200 where: short stacking energy: -264.375 Base-Backbone interact. energy: -2.692 local terms energy: -440.833190 where: bonds (distance) C4'-P energy: -105.938 bonds (distance) P-C4' energy: -124.017 flat angles C4'-P-C4' energy: -134.413 flat angles P-C4'-P energy: -52.644 tors. eta vs tors. theta energy: -23.821 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: 1, replica: 4 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2604.681414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.681414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.681414 (E_RNA) where: Base-Base interactions energy: -1796.432 where: short stacking energy: -767.066 Base-Backbone interact. energy: -3.989 local terms energy: -804.260365 where: bonds (distance) C4'-P energy: -159.003 bonds (distance) P-C4' energy: -138.709 flat angles C4'-P-C4' energy: -172.110 flat angles P-C4'-P energy: -110.719 tors. eta vs tors. theta energy: -223.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2495.269531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.269531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.269531 (E_RNA) where: Base-Base interactions energy: -1709.921 where: short stacking energy: -729.115 Base-Backbone interact. energy: -2.091 local terms energy: -783.256742 where: bonds (distance) C4'-P energy: -160.554 bonds (distance) P-C4' energy: -145.079 flat angles C4'-P-C4' energy: -160.876 flat angles P-C4'-P energy: -115.643 tors. eta vs tors. theta energy: -201.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2482.394002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.394002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.394002 (E_RNA) where: Base-Base interactions energy: -1746.939 where: short stacking energy: -730.510 Base-Backbone interact. energy: -4.062 local terms energy: -731.392581 where: bonds (distance) C4'-P energy: -130.163 bonds (distance) P-C4' energy: -141.834 flat angles C4'-P-C4' energy: -161.637 flat angles P-C4'-P energy: -105.904 tors. eta vs tors. theta energy: -191.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2185.685868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.685868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.685868 (E_RNA) where: Base-Base interactions energy: -1480.165 where: short stacking energy: -675.071 Base-Backbone interact. energy: -3.024 local terms energy: -702.496610 where: bonds (distance) C4'-P energy: -147.927 bonds (distance) P-C4' energy: -122.854 flat angles C4'-P-C4' energy: -147.649 flat angles P-C4'-P energy: -101.137 tors. eta vs tors. theta energy: -182.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2106.359529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.359529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.359529 (E_RNA) where: Base-Base interactions energy: -1459.901 where: short stacking energy: -610.790 Base-Backbone interact. energy: -2.970 local terms energy: -643.489379 where: bonds (distance) C4'-P energy: -110.934 bonds (distance) P-C4' energy: -121.958 flat angles C4'-P-C4' energy: -156.597 flat angles P-C4'-P energy: -99.976 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: 3 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1960.514473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.514473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.514473 (E_RNA) where: Base-Base interactions energy: -1326.796 where: short stacking energy: -580.313 Base-Backbone interact. energy: 1.517 local terms energy: -635.234709 where: bonds (distance) C4'-P energy: -127.013 bonds (distance) P-C4' energy: -138.639 flat angles C4'-P-C4' energy: -147.279 flat angles P-C4'-P energy: -79.529 tors. eta vs tors. theta energy: -142.774 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: 7, replica: 6 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1748.933379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.933379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.933379 (E_RNA) where: Base-Base interactions energy: -1169.158 where: short stacking energy: -507.981 Base-Backbone interact. energy: -0.516 local terms energy: -579.259336 where: bonds (distance) C4'-P energy: -120.105 bonds (distance) P-C4' energy: -138.180 flat angles C4'-P-C4' energy: -143.631 flat angles P-C4'-P energy: -78.661 tors. eta vs tors. theta energy: -98.683 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: 2 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1412.619223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.619223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.619223 (E_RNA) where: Base-Base interactions energy: -890.038 where: short stacking energy: -401.882 Base-Backbone interact. energy: 4.031 local terms energy: -526.611793 where: bonds (distance) C4'-P energy: -122.114 bonds (distance) P-C4' energy: -131.471 flat angles C4'-P-C4' energy: -121.618 flat angles P-C4'-P energy: -68.316 tors. eta vs tors. theta energy: -83.093 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: 9, replica: 5 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1156.843071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.843071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.843071 (E_RNA) where: Base-Base interactions energy: -706.296 where: short stacking energy: -308.052 Base-Backbone interact. energy: 1.542 local terms energy: -452.088534 where: bonds (distance) C4'-P energy: -130.628 bonds (distance) P-C4' energy: -127.359 flat angles C4'-P-C4' energy: -110.664 flat angles P-C4'-P energy: -62.964 tors. eta vs tors. theta energy: -20.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -991.588059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.588059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.588059 (E_RNA) where: Base-Base interactions energy: -562.268 where: short stacking energy: -283.529 Base-Backbone interact. energy: 3.199 local terms energy: -432.518523 where: bonds (distance) C4'-P energy: -127.186 bonds (distance) P-C4' energy: -111.121 flat angles C4'-P-C4' energy: -104.466 flat angles P-C4'-P energy: -75.301 tors. eta vs tors. theta energy: -14.443 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: 1, replica: 4 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2613.996738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.996738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.996738 (E_RNA) where: Base-Base interactions energy: -1796.415 where: short stacking energy: -798.795 Base-Backbone interact. energy: -1.583 local terms energy: -815.999005 where: bonds (distance) C4'-P energy: -148.195 bonds (distance) P-C4' energy: -159.543 flat angles C4'-P-C4' energy: -171.058 flat angles P-C4'-P energy: -113.111 tors. eta vs tors. theta energy: -224.093 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: 1 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2513.198869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.198869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.198869 (E_RNA) where: Base-Base interactions energy: -1753.666 where: short stacking energy: -741.247 Base-Backbone interact. energy: -7.212 local terms energy: -752.321518 where: bonds (distance) C4'-P energy: -140.116 bonds (distance) P-C4' energy: -142.967 flat angles C4'-P-C4' energy: -156.746 flat angles P-C4'-P energy: -104.287 tors. eta vs tors. theta energy: -208.206 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: 8 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2512.198424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.198424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.198424 (E_RNA) where: Base-Base interactions energy: -1745.493 where: short stacking energy: -751.556 Base-Backbone interact. energy: -2.709 local terms energy: -763.996908 where: bonds (distance) C4'-P energy: -138.078 bonds (distance) P-C4' energy: -142.447 flat angles C4'-P-C4' energy: -163.122 flat angles P-C4'-P energy: -107.414 tors. eta vs tors. theta energy: -212.936 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: 4, replica: 7 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2225.158963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.158963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.158963 (E_RNA) where: Base-Base interactions energy: -1492.908 where: short stacking energy: -655.966 Base-Backbone interact. energy: -4.127 local terms energy: -728.124719 where: bonds (distance) C4'-P energy: -128.422 bonds (distance) P-C4' energy: -133.410 flat angles C4'-P-C4' energy: -166.206 flat angles P-C4'-P energy: -103.685 tors. eta vs tors. theta energy: -196.402 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: 10 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2171.428144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.428144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.428144 (E_RNA) where: Base-Base interactions energy: -1491.007 where: short stacking energy: -639.002 Base-Backbone interact. energy: -0.735 local terms energy: -679.685872 where: bonds (distance) C4'-P energy: -124.187 bonds (distance) P-C4' energy: -138.976 flat angles C4'-P-C4' energy: -145.611 flat angles P-C4'-P energy: -98.413 tors. eta vs tors. theta energy: -172.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1902.512538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.512538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.512538 (E_RNA) where: Base-Base interactions energy: -1290.971 where: short stacking energy: -540.719 Base-Backbone interact. energy: 2.643 local terms energy: -614.184655 where: bonds (distance) C4'-P energy: -120.457 bonds (distance) P-C4' energy: -118.474 flat angles C4'-P-C4' energy: -137.720 flat angles P-C4'-P energy: -88.972 tors. eta vs tors. theta energy: -148.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1681.160039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.160039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.160039 (E_RNA) where: Base-Base interactions energy: -1098.193 where: short stacking energy: -489.171 Base-Backbone interact. energy: -2.483 local terms energy: -580.483637 where: bonds (distance) C4'-P energy: -123.471 bonds (distance) P-C4' energy: -132.007 flat angles C4'-P-C4' energy: -133.400 flat angles P-C4'-P energy: -71.625 tors. eta vs tors. theta energy: -119.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1477.840172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.840172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.840172 (E_RNA) where: Base-Base interactions energy: -965.250 where: short stacking energy: -424.440 Base-Backbone interact. energy: 2.343 local terms energy: -514.932520 where: bonds (distance) C4'-P energy: -112.311 bonds (distance) P-C4' energy: -115.733 flat angles C4'-P-C4' energy: -130.542 flat angles P-C4'-P energy: -65.952 tors. eta vs tors. theta energy: -90.394 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: 5 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1201.349462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.349462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.349462 (E_RNA) where: Base-Base interactions energy: -740.631 where: short stacking energy: -369.368 Base-Backbone interact. energy: 0.606 local terms energy: -461.325052 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -111.456 flat angles C4'-P-C4' energy: -118.821 flat angles P-C4'-P energy: -74.289 tors. eta vs tors. theta energy: -50.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -1065.414154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.414154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.414154 (E_RNA) where: Base-Base interactions energy: -651.383 where: short stacking energy: -301.283 Base-Backbone interact. energy: 1.218 local terms energy: -415.248684 where: bonds (distance) C4'-P energy: -108.341 bonds (distance) P-C4' energy: -113.405 flat angles C4'-P-C4' energy: -99.545 flat angles P-C4'-P energy: -69.500 tors. eta vs tors. theta energy: -24.457 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: 4 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2611.523829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.523829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.523829 (E_RNA) where: Base-Base interactions energy: -1809.718 where: short stacking energy: -758.182 Base-Backbone interact. energy: -3.578 local terms energy: -798.227250 where: bonds (distance) C4'-P energy: -143.393 bonds (distance) P-C4' energy: -151.597 flat angles C4'-P-C4' energy: -179.974 flat angles P-C4'-P energy: -103.497 tors. eta vs tors. theta energy: -219.765 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: 2, replica: 1 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2549.959512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.959512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.959512 (E_RNA) where: Base-Base interactions energy: -1750.300 where: short stacking energy: -781.719 Base-Backbone interact. energy: -1.905 local terms energy: -797.755229 where: bonds (distance) C4'-P energy: -137.524 bonds (distance) P-C4' energy: -158.862 flat angles C4'-P-C4' energy: -168.751 flat angles P-C4'-P energy: -104.561 tors. eta vs tors. theta energy: -228.058 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: 3, replica: 8 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2485.085421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.085421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.085421 (E_RNA) where: Base-Base interactions energy: -1733.395 where: short stacking energy: -709.769 Base-Backbone interact. energy: 0.657 local terms energy: -752.347239 where: bonds (distance) C4'-P energy: -136.620 bonds (distance) P-C4' energy: -143.097 flat angles C4'-P-C4' energy: -165.228 flat angles P-C4'-P energy: -95.521 tors. eta vs tors. theta energy: -211.882 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: 7 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2213.941424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.941424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.941424 (E_RNA) where: Base-Base interactions energy: -1478.641 where: short stacking energy: -672.565 Base-Backbone interact. energy: 0.526 local terms energy: -735.826599 where: bonds (distance) C4'-P energy: -142.793 bonds (distance) P-C4' energy: -142.122 flat angles C4'-P-C4' energy: -167.605 flat angles P-C4'-P energy: -98.019 tors. eta vs tors. theta energy: -185.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2147.454742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.454742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.454742 (E_RNA) where: Base-Base interactions energy: -1479.095 where: short stacking energy: -606.364 Base-Backbone interact. energy: -0.429 local terms energy: -667.930893 where: bonds (distance) C4'-P energy: -122.199 bonds (distance) P-C4' energy: -129.070 flat angles C4'-P-C4' energy: -150.435 flat angles P-C4'-P energy: -88.502 tors. eta vs tors. theta energy: -177.724 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: 3 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2014.117468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.117468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.117468 (E_RNA) where: Base-Base interactions energy: -1362.015 where: short stacking energy: -594.798 Base-Backbone interact. energy: -1.558 local terms energy: -650.544522 where: bonds (distance) C4'-P energy: -139.920 bonds (distance) P-C4' energy: -111.969 flat angles C4'-P-C4' energy: -152.247 flat angles P-C4'-P energy: -101.223 tors. eta vs tors. theta energy: -145.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1656.942771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.942771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.942771 (E_RNA) where: Base-Base interactions energy: -1128.102 where: short stacking energy: -496.416 Base-Backbone interact. energy: 1.182 local terms energy: -530.022855 where: bonds (distance) C4'-P energy: -114.652 bonds (distance) P-C4' energy: -125.805 flat angles C4'-P-C4' energy: -115.686 flat angles P-C4'-P energy: -59.509 tors. eta vs tors. theta energy: -114.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1468.208301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.208301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.208301 (E_RNA) where: Base-Base interactions energy: -964.427 where: short stacking energy: -426.240 Base-Backbone interact. energy: 1.071 local terms energy: -504.852165 where: bonds (distance) C4'-P energy: -98.768 bonds (distance) P-C4' energy: -112.929 flat angles C4'-P-C4' energy: -129.100 flat angles P-C4'-P energy: -69.192 tors. eta vs tors. theta energy: -94.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1207.145299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.145299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.145299 (E_RNA) where: Base-Base interactions energy: -767.316 where: short stacking energy: -370.052 Base-Backbone interact. energy: -1.223 local terms energy: -438.606063 where: bonds (distance) C4'-P energy: -99.358 bonds (distance) P-C4' energy: -111.732 flat angles C4'-P-C4' energy: -107.566 flat angles P-C4'-P energy: -70.441 tors. eta vs tors. theta energy: -49.509 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: 9 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -1037.097319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.097319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.097319 (E_RNA) where: Base-Base interactions energy: -597.433 where: short stacking energy: -293.494 Base-Backbone interact. energy: 1.248 local terms energy: -440.911746 where: bonds (distance) C4'-P energy: -112.360 bonds (distance) P-C4' energy: -127.844 flat angles C4'-P-C4' energy: -123.074 flat angles P-C4'-P energy: -63.598 tors. eta vs tors. theta energy: -14.036 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: 4 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2600.775468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.775468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.775468 (E_RNA) where: Base-Base interactions energy: -1805.805 where: short stacking energy: -774.223 Base-Backbone interact. energy: -3.371 local terms energy: -791.599164 where: bonds (distance) C4'-P energy: -132.841 bonds (distance) P-C4' energy: -151.046 flat angles C4'-P-C4' energy: -171.064 flat angles P-C4'-P energy: -116.350 tors. eta vs tors. theta energy: -220.299 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: 2, replica: 1 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2533.073315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.073315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.073315 (E_RNA) where: Base-Base interactions energy: -1720.206 where: short stacking energy: -728.933 Base-Backbone interact. energy: -2.455 local terms energy: -810.412431 where: bonds (distance) C4'-P energy: -156.202 bonds (distance) P-C4' energy: -150.475 flat angles C4'-P-C4' energy: -163.136 flat angles P-C4'-P energy: -125.146 tors. eta vs tors. theta energy: -215.454 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: 8 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2485.208968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.208968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.208968 (E_RNA) where: Base-Base interactions energy: -1736.565 where: short stacking energy: -702.003 Base-Backbone interact. energy: -1.302 local terms energy: -747.341870 where: bonds (distance) C4'-P energy: -150.095 bonds (distance) P-C4' energy: -140.396 flat angles C4'-P-C4' energy: -160.005 flat angles P-C4'-P energy: -88.756 tors. eta vs tors. theta energy: -208.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2233.596185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.596185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.596185 (E_RNA) where: Base-Base interactions energy: -1497.127 where: short stacking energy: -676.016 Base-Backbone interact. energy: -3.684 local terms energy: -732.785329 where: bonds (distance) C4'-P energy: -141.523 bonds (distance) P-C4' energy: -132.262 flat angles C4'-P-C4' energy: -145.606 flat angles P-C4'-P energy: -106.871 tors. eta vs tors. theta energy: -206.523 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: 10 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2111.943464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.943464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.943464 (E_RNA) where: Base-Base interactions energy: -1390.089 where: short stacking energy: -591.927 Base-Backbone interact. energy: -3.776 local terms energy: -718.077836 where: bonds (distance) C4'-P energy: -129.644 bonds (distance) P-C4' energy: -153.374 flat angles C4'-P-C4' energy: -154.086 flat angles P-C4'-P energy: -107.906 tors. eta vs tors. theta energy: -173.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1959.443617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.443617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.443617 (E_RNA) where: Base-Base interactions energy: -1316.077 where: short stacking energy: -551.947 Base-Backbone interact. energy: 2.684 local terms energy: -646.050259 where: bonds (distance) C4'-P energy: -138.151 bonds (distance) P-C4' energy: -127.935 flat angles C4'-P-C4' energy: -137.949 flat angles P-C4'-P energy: -94.213 tors. eta vs tors. theta energy: -147.803 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: 370 Temperature: 1.200000 Total energy: -1699.573671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.573671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.573671 (E_RNA) where: Base-Base interactions energy: -1146.630 where: short stacking energy: -506.060 Base-Backbone interact. energy: -0.369 local terms energy: -552.574418 where: bonds (distance) C4'-P energy: -116.222 bonds (distance) P-C4' energy: -127.117 flat angles C4'-P-C4' energy: -128.690 flat angles P-C4'-P energy: -77.227 tors. eta vs tors. theta energy: -103.318 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: 2 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1535.433030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.433030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.433030 (E_RNA) where: Base-Base interactions energy: -1006.211 where: short stacking energy: -426.086 Base-Backbone interact. energy: 2.708 local terms energy: -531.930255 where: bonds (distance) C4'-P energy: -117.150 bonds (distance) P-C4' energy: -130.446 flat angles C4'-P-C4' energy: -136.170 flat angles P-C4'-P energy: -72.292 tors. eta vs tors. theta energy: -75.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1140.747422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.747422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.747422 (E_RNA) where: Base-Base interactions energy: -669.694 where: short stacking energy: -323.370 Base-Backbone interact. energy: 1.904 local terms energy: -472.957407 where: bonds (distance) C4'-P energy: -119.743 bonds (distance) P-C4' energy: -132.063 flat angles C4'-P-C4' energy: -122.096 flat angles P-C4'-P energy: -30.311 tors. eta vs tors. theta energy: -68.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -1027.068913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.068913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.068913 (E_RNA) where: Base-Base interactions energy: -604.095 where: short stacking energy: -321.429 Base-Backbone interact. energy: 2.619 local terms energy: -425.592285 where: bonds (distance) C4'-P energy: -109.034 bonds (distance) P-C4' energy: -101.420 flat angles C4'-P-C4' energy: -116.605 flat angles P-C4'-P energy: -68.943 tors. eta vs tors. theta energy: -29.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2610.308295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.308295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.308295 (E_RNA) where: Base-Base interactions energy: -1806.008 where: short stacking energy: -769.016 Base-Backbone interact. energy: -0.976 local terms energy: -803.325048 where: bonds (distance) C4'-P energy: -153.954 bonds (distance) P-C4' energy: -146.287 flat angles C4'-P-C4' energy: -176.894 flat angles P-C4'-P energy: -107.678 tors. eta vs tors. theta energy: -218.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2505.284681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.284681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.284681 (E_RNA) where: Base-Base interactions energy: -1703.057 where: short stacking energy: -750.389 Base-Backbone interact. energy: -1.488 local terms energy: -800.739994 where: bonds (distance) C4'-P energy: -150.931 bonds (distance) P-C4' energy: -147.699 flat angles C4'-P-C4' energy: -170.428 flat angles P-C4'-P energy: -110.235 tors. eta vs tors. theta energy: -221.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2452.980213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.980213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.980213 (E_RNA) where: Base-Base interactions energy: -1709.084 where: short stacking energy: -740.311 Base-Backbone interact. energy: 0.760 local terms energy: -744.656775 where: bonds (distance) C4'-P energy: -122.332 bonds (distance) P-C4' energy: -138.774 flat angles C4'-P-C4' energy: -164.864 flat angles P-C4'-P energy: -106.857 tors. eta vs tors. theta energy: -211.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2245.209518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.209518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.209518 (E_RNA) where: Base-Base interactions energy: -1538.597 where: short stacking energy: -662.144 Base-Backbone interact. energy: -1.278 local terms energy: -705.334204 where: bonds (distance) C4'-P energy: -128.640 bonds (distance) P-C4' energy: -134.008 flat angles C4'-P-C4' energy: -147.795 flat angles P-C4'-P energy: -108.656 tors. eta vs tors. theta energy: -186.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2105.689379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.689379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.689379 (E_RNA) where: Base-Base interactions energy: -1416.888 where: short stacking energy: -597.135 Base-Backbone interact. energy: -1.223 local terms energy: -687.578278 where: bonds (distance) C4'-P energy: -139.192 bonds (distance) P-C4' energy: -112.813 flat angles C4'-P-C4' energy: -148.262 flat angles P-C4'-P energy: -111.000 tors. eta vs tors. theta energy: -176.311 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: 3 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2015.952558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.952558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.952558 (E_RNA) where: Base-Base interactions energy: -1357.804 where: short stacking energy: -566.341 Base-Backbone interact. energy: -1.572 local terms energy: -656.575928 where: bonds (distance) C4'-P energy: -127.346 bonds (distance) P-C4' energy: -134.692 flat angles C4'-P-C4' energy: -149.981 flat angles P-C4'-P energy: -88.671 tors. eta vs tors. theta energy: -155.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1717.601898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.601898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.601898 (E_RNA) where: Base-Base interactions energy: -1158.574 where: short stacking energy: -517.112 Base-Backbone interact. energy: 1.181 local terms energy: -560.208909 where: bonds (distance) C4'-P energy: -117.175 bonds (distance) P-C4' energy: -113.536 flat angles C4'-P-C4' energy: -140.738 flat angles P-C4'-P energy: -72.910 tors. eta vs tors. theta energy: -115.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1475.851528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.851528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.851528 (E_RNA) where: Base-Base interactions energy: -935.237 where: short stacking energy: -415.019 Base-Backbone interact. energy: 0.667 local terms energy: -541.281868 where: bonds (distance) C4'-P energy: -128.176 bonds (distance) P-C4' energy: -119.776 flat angles C4'-P-C4' energy: -135.715 flat angles P-C4'-P energy: -80.394 tors. eta vs tors. theta energy: -77.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1142.948240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.948240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.948240 (E_RNA) where: Base-Base interactions energy: -678.463 where: short stacking energy: -349.424 Base-Backbone interact. energy: -2.204 local terms energy: -462.281247 where: bonds (distance) C4'-P energy: -116.804 bonds (distance) P-C4' energy: -113.210 flat angles C4'-P-C4' energy: -136.291 flat angles P-C4'-P energy: -63.369 tors. eta vs tors. theta energy: -32.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -1040.616970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.616970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.616970 (E_RNA) where: Base-Base interactions energy: -613.724 where: short stacking energy: -276.510 Base-Backbone interact. energy: -3.332 local terms energy: -423.561219 where: bonds (distance) C4'-P energy: -113.508 bonds (distance) P-C4' energy: -113.588 flat angles C4'-P-C4' energy: -111.336 flat angles P-C4'-P energy: -66.083 tors. eta vs tors. theta energy: -19.045 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: 4 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2601.903874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.903874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.903874 (E_RNA) where: Base-Base interactions energy: -1794.440 where: short stacking energy: -783.483 Base-Backbone interact. energy: -2.445 local terms energy: -805.019214 where: bonds (distance) C4'-P energy: -142.636 bonds (distance) P-C4' energy: -161.257 flat angles C4'-P-C4' energy: -167.559 flat angles P-C4'-P energy: -107.500 tors. eta vs tors. theta energy: -226.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2517.740678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.740678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.740678 (E_RNA) where: Base-Base interactions energy: -1738.775 where: short stacking energy: -738.678 Base-Backbone interact. energy: -4.184 local terms energy: -774.782116 where: bonds (distance) C4'-P energy: -153.376 bonds (distance) P-C4' energy: -137.792 flat angles C4'-P-C4' energy: -165.663 flat angles P-C4'-P energy: -113.502 tors. eta vs tors. theta energy: -204.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2425.677323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.677323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.677323 (E_RNA) where: Base-Base interactions energy: -1657.824 where: short stacking energy: -713.424 Base-Backbone interact. energy: -3.249 local terms energy: -764.604906 where: bonds (distance) C4'-P energy: -131.319 bonds (distance) P-C4' energy: -151.913 flat angles C4'-P-C4' energy: -163.105 flat angles P-C4'-P energy: -107.870 tors. eta vs tors. theta energy: -210.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2226.240600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.240600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.240600 (E_RNA) where: Base-Base interactions energy: -1548.857 where: short stacking energy: -689.966 Base-Backbone interact. energy: -2.622 local terms energy: -674.761871 where: bonds (distance) C4'-P energy: -110.515 bonds (distance) P-C4' energy: -133.919 flat angles C4'-P-C4' energy: -156.179 flat angles P-C4'-P energy: -83.098 tors. eta vs tors. theta energy: -191.051 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: 10 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2119.189730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.189730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.189730 (E_RNA) where: Base-Base interactions energy: -1423.654 where: short stacking energy: -603.253 Base-Backbone interact. energy: 0.212 local terms energy: -695.747624 where: bonds (distance) C4'-P energy: -129.721 bonds (distance) P-C4' energy: -139.164 flat angles C4'-P-C4' energy: -143.425 flat angles P-C4'-P energy: -110.931 tors. eta vs tors. theta energy: -172.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2068.191625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.191625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.191625 (E_RNA) where: Base-Base interactions energy: -1397.091 where: short stacking energy: -597.939 Base-Backbone interact. energy: -5.335 local terms energy: -665.765121 where: bonds (distance) C4'-P energy: -115.678 bonds (distance) P-C4' energy: -141.636 flat angles C4'-P-C4' energy: -143.135 flat angles P-C4'-P energy: -109.203 tors. eta vs tors. theta energy: -156.113 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: 6 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1749.279188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.279188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.279188 (E_RNA) where: Base-Base interactions energy: -1166.246 where: short stacking energy: -534.730 Base-Backbone interact. energy: 0.047 local terms energy: -583.080566 where: bonds (distance) C4'-P energy: -121.878 bonds (distance) P-C4' energy: -113.843 flat angles C4'-P-C4' energy: -139.140 flat angles P-C4'-P energy: -92.154 tors. eta vs tors. theta energy: -116.067 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: 2 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1557.600567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.600567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.600567 (E_RNA) where: Base-Base interactions energy: -1000.905 where: short stacking energy: -445.201 Base-Backbone interact. energy: 0.889 local terms energy: -557.584304 where: bonds (distance) C4'-P energy: -126.189 bonds (distance) P-C4' energy: -116.911 flat angles C4'-P-C4' energy: -134.381 flat angles P-C4'-P energy: -86.635 tors. eta vs tors. theta energy: -93.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1211.607269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.607269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.607269 (E_RNA) where: Base-Base interactions energy: -721.565 where: short stacking energy: -327.713 Base-Backbone interact. energy: 3.573 local terms energy: -493.616028 where: bonds (distance) C4'-P energy: -112.957 bonds (distance) P-C4' energy: -125.755 flat angles C4'-P-C4' energy: -116.280 flat angles P-C4'-P energy: -88.901 tors. eta vs tors. theta energy: -49.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -1043.947069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.947069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.947069 (E_RNA) where: Base-Base interactions energy: -623.209 where: short stacking energy: -336.584 Base-Backbone interact. energy: 2.028 local terms energy: -422.766303 where: bonds (distance) C4'-P energy: -95.091 bonds (distance) P-C4' energy: -122.677 flat angles C4'-P-C4' energy: -110.209 flat angles P-C4'-P energy: -57.150 tors. eta vs tors. theta energy: -37.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2625.125174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.125174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.125174 (E_RNA) where: Base-Base interactions energy: -1813.289 where: short stacking energy: -793.707 Base-Backbone interact. energy: -2.847 local terms energy: -808.989664 where: bonds (distance) C4'-P energy: -131.549 bonds (distance) P-C4' energy: -163.378 flat angles C4'-P-C4' energy: -166.966 flat angles P-C4'-P energy: -109.761 tors. eta vs tors. theta energy: -237.337 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: 1 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2496.538366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.538366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.538366 (E_RNA) where: Base-Base interactions energy: -1720.203 where: short stacking energy: -759.761 Base-Backbone interact. energy: -1.003 local terms energy: -775.331504 where: bonds (distance) C4'-P energy: -150.970 bonds (distance) P-C4' energy: -141.373 flat angles C4'-P-C4' energy: -160.271 flat angles P-C4'-P energy: -116.456 tors. eta vs tors. theta energy: -206.263 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: 8 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2453.337977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.337977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.337977 (E_RNA) where: Base-Base interactions energy: -1693.764 where: short stacking energy: -741.647 Base-Backbone interact. energy: -4.218 local terms energy: -755.356641 where: bonds (distance) C4'-P energy: -137.364 bonds (distance) P-C4' energy: -142.532 flat angles C4'-P-C4' energy: -154.481 flat angles P-C4'-P energy: -105.621 tors. eta vs tors. theta energy: -215.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2244.185713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.185713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.185713 (E_RNA) where: Base-Base interactions energy: -1509.846 where: short stacking energy: -651.522 Base-Backbone interact. energy: 1.125 local terms energy: -735.464187 where: bonds (distance) C4'-P energy: -134.847 bonds (distance) P-C4' energy: -146.690 flat angles C4'-P-C4' energy: -154.500 flat angles P-C4'-P energy: -111.931 tors. eta vs tors. theta energy: -187.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2055.474250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.474250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.474250 (E_RNA) where: Base-Base interactions energy: -1368.197 where: short stacking energy: -582.383 Base-Backbone interact. energy: -0.554 local terms energy: -686.723229 where: bonds (distance) C4'-P energy: -124.435 bonds (distance) P-C4' energy: -142.297 flat angles C4'-P-C4' energy: -152.767 flat angles P-C4'-P energy: -100.977 tors. eta vs tors. theta energy: -166.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2045.426574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.426574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.426574 (E_RNA) where: Base-Base interactions energy: -1400.934 where: short stacking energy: -581.087 Base-Backbone interact. energy: -4.872 local terms energy: -639.621136 where: bonds (distance) C4'-P energy: -126.708 bonds (distance) P-C4' energy: -140.101 flat angles C4'-P-C4' energy: -143.208 flat angles P-C4'-P energy: -88.395 tors. eta vs tors. theta energy: -141.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1668.180420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.180420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.180420 (E_RNA) where: Base-Base interactions energy: -1114.078 where: short stacking energy: -473.197 Base-Backbone interact. energy: 2.343 local terms energy: -556.445240 where: bonds (distance) C4'-P energy: -119.042 bonds (distance) P-C4' energy: -129.589 flat angles C4'-P-C4' energy: -138.275 flat angles P-C4'-P energy: -75.581 tors. eta vs tors. theta energy: -93.959 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: 2 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1595.841783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.841783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.841783 (E_RNA) where: Base-Base interactions energy: -1023.210 where: short stacking energy: -449.748 Base-Backbone interact. energy: -4.926 local terms energy: -567.706343 where: bonds (distance) C4'-P energy: -105.260 bonds (distance) P-C4' energy: -139.589 flat angles C4'-P-C4' energy: -142.247 flat angles P-C4'-P energy: -77.843 tors. eta vs tors. theta energy: -102.768 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: 5 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1238.434923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.434923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.434923 (E_RNA) where: Base-Base interactions energy: -752.687 where: short stacking energy: -373.896 Base-Backbone interact. energy: 3.550 local terms energy: -489.297858 where: bonds (distance) C4'-P energy: -99.642 bonds (distance) P-C4' energy: -106.528 flat angles C4'-P-C4' energy: -124.688 flat angles P-C4'-P energy: -90.728 tors. eta vs tors. theta energy: -67.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -1021.873989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.873989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.873989 (E_RNA) where: Base-Base interactions energy: -602.425 where: short stacking energy: -294.331 Base-Backbone interact. energy: 1.664 local terms energy: -421.112786 where: bonds (distance) C4'-P energy: -99.169 bonds (distance) P-C4' energy: -129.579 flat angles C4'-P-C4' energy: -106.898 flat angles P-C4'-P energy: -65.287 tors. eta vs tors. theta energy: -20.180 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: 1, replica: 4 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2632.550100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.550100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.550100 (E_RNA) where: Base-Base interactions energy: -1819.338 where: short stacking energy: -759.516 Base-Backbone interact. energy: -2.128 local terms energy: -811.084415 where: bonds (distance) C4'-P energy: -150.344 bonds (distance) P-C4' energy: -157.788 flat angles C4'-P-C4' energy: -163.996 flat angles P-C4'-P energy: -117.083 tors. eta vs tors. theta energy: -221.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2534.700498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.700498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.700498 (E_RNA) where: Base-Base interactions energy: -1749.036 where: short stacking energy: -725.859 Base-Backbone interact. energy: 0.448 local terms energy: -786.112179 where: bonds (distance) C4'-P energy: -144.827 bonds (distance) P-C4' energy: -149.459 flat angles C4'-P-C4' energy: -160.008 flat angles P-C4'-P energy: -124.798 tors. eta vs tors. theta energy: -207.020 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: 8 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2442.602662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.602662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.602662 (E_RNA) where: Base-Base interactions energy: -1667.933 where: short stacking energy: -696.996 Base-Backbone interact. energy: -3.953 local terms energy: -770.716659 where: bonds (distance) C4'-P energy: -146.969 bonds (distance) P-C4' energy: -144.546 flat angles C4'-P-C4' energy: -154.048 flat angles P-C4'-P energy: -103.551 tors. eta vs tors. theta energy: -221.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2275.097187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.097187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.097187 (E_RNA) where: Base-Base interactions energy: -1545.954 where: short stacking energy: -676.868 Base-Backbone interact. energy: -2.546 local terms energy: -726.597234 where: bonds (distance) C4'-P energy: -117.522 bonds (distance) P-C4' energy: -147.786 flat angles C4'-P-C4' energy: -163.911 flat angles P-C4'-P energy: -100.248 tors. eta vs tors. theta energy: -197.130 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: 3 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2131.265421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.265421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.265421 (E_RNA) where: Base-Base interactions energy: -1460.804 where: short stacking energy: -645.790 Base-Backbone interact. energy: -3.236 local terms energy: -667.226032 where: bonds (distance) C4'-P energy: -128.984 bonds (distance) P-C4' energy: -115.025 flat angles C4'-P-C4' energy: -153.144 flat angles P-C4'-P energy: -104.949 tors. eta vs tors. theta energy: -165.123 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: 10 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2001.082477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.082477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.082477 (E_RNA) where: Base-Base interactions energy: -1333.291 where: short stacking energy: -589.396 Base-Backbone interact. energy: -2.358 local terms energy: -665.432754 where: bonds (distance) C4'-P energy: -125.139 bonds (distance) P-C4' energy: -148.502 flat angles C4'-P-C4' energy: -126.076 flat angles P-C4'-P energy: -94.756 tors. eta vs tors. theta energy: -170.959 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: 6 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1735.964320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.964320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.964320 (E_RNA) where: Base-Base interactions energy: -1167.043 where: short stacking energy: -536.601 Base-Backbone interact. energy: 0.813 local terms energy: -569.734603 where: bonds (distance) C4'-P energy: -133.661 bonds (distance) P-C4' energy: -103.309 flat angles C4'-P-C4' energy: -127.613 flat angles P-C4'-P energy: -84.125 tors. eta vs tors. theta energy: -121.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1493.180270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.180270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.180270 (E_RNA) where: Base-Base interactions energy: -948.767 where: short stacking energy: -418.032 Base-Backbone interact. energy: -1.616 local terms energy: -542.797942 where: bonds (distance) C4'-P energy: -124.205 bonds (distance) P-C4' energy: -127.154 flat angles C4'-P-C4' energy: -116.976 flat angles P-C4'-P energy: -80.878 tors. eta vs tors. theta energy: -93.585 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: 5 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1231.237402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.237402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.237402 (E_RNA) where: Base-Base interactions energy: -752.892 where: short stacking energy: -370.566 Base-Backbone interact. energy: 0.826 local terms energy: -479.171529 where: bonds (distance) C4'-P energy: -123.030 bonds (distance) P-C4' energy: -124.025 flat angles C4'-P-C4' energy: -122.208 flat angles P-C4'-P energy: -58.341 tors. eta vs tors. theta energy: -51.568 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: 9 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -1072.893300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.893300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.893300 (E_RNA) where: Base-Base interactions energy: -619.441 where: short stacking energy: -322.737 Base-Backbone interact. energy: 3.723 local terms energy: -457.175410 where: bonds (distance) C4'-P energy: -126.660 bonds (distance) P-C4' energy: -125.112 flat angles C4'-P-C4' energy: -114.314 flat angles P-C4'-P energy: -59.214 tors. eta vs tors. theta energy: -31.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2642.512136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.512136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.512136 (E_RNA) where: Base-Base interactions energy: -1825.678 where: short stacking energy: -796.590 Base-Backbone interact. energy: -6.564 local terms energy: -810.270817 where: bonds (distance) C4'-P energy: -125.741 bonds (distance) P-C4' energy: -154.496 flat angles C4'-P-C4' energy: -178.626 flat angles P-C4'-P energy: -132.032 tors. eta vs tors. theta energy: -219.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2517.473738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.473738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.473738 (E_RNA) where: Base-Base interactions energy: -1767.347 where: short stacking energy: -747.238 Base-Backbone interact. energy: -4.726 local terms energy: -745.400529 where: bonds (distance) C4'-P energy: -133.906 bonds (distance) P-C4' energy: -134.184 flat angles C4'-P-C4' energy: -149.366 flat angles P-C4'-P energy: -118.422 tors. eta vs tors. theta energy: -209.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2470.270561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.270561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.270561 (E_RNA) where: Base-Base interactions energy: -1710.483 where: short stacking energy: -727.943 Base-Backbone interact. energy: -0.456 local terms energy: -759.332402 where: bonds (distance) C4'-P energy: -155.026 bonds (distance) P-C4' energy: -145.449 flat angles C4'-P-C4' energy: -168.428 flat angles P-C4'-P energy: -90.752 tors. eta vs tors. theta energy: -199.678 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: 375 Temperature: 1.050000 Total energy: -2244.101620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.101620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.101620 (E_RNA) where: Base-Base interactions energy: -1535.814 where: short stacking energy: -661.543 Base-Backbone interact. energy: -1.762 local terms energy: -706.524989 where: bonds (distance) C4'-P energy: -127.506 bonds (distance) P-C4' energy: -135.709 flat angles C4'-P-C4' energy: -160.556 flat angles P-C4'-P energy: -93.777 tors. eta vs tors. theta energy: -188.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2145.761420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.761420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.761420 (E_RNA) where: Base-Base interactions energy: -1451.202 where: short stacking energy: -612.209 Base-Backbone interact. energy: -1.609 local terms energy: -692.950563 where: bonds (distance) C4'-P energy: -133.150 bonds (distance) P-C4' energy: -127.307 flat angles C4'-P-C4' energy: -146.727 flat angles P-C4'-P energy: -107.626 tors. eta vs tors. theta energy: -178.140 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: 10 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1974.866950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.866950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.866950 (E_RNA) where: Base-Base interactions energy: -1312.470 where: short stacking energy: -566.383 Base-Backbone interact. energy: -4.937 local terms energy: -657.459645 where: bonds (distance) C4'-P energy: -122.738 bonds (distance) P-C4' energy: -123.950 flat angles C4'-P-C4' energy: -150.590 flat angles P-C4'-P energy: -100.066 tors. eta vs tors. theta energy: -160.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1708.449741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.449741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.449741 (E_RNA) where: Base-Base interactions energy: -1118.051 where: short stacking energy: -507.517 Base-Backbone interact. energy: 0.379 local terms energy: -590.777955 where: bonds (distance) C4'-P energy: -126.964 bonds (distance) P-C4' energy: -130.112 flat angles C4'-P-C4' energy: -152.368 flat angles P-C4'-P energy: -74.894 tors. eta vs tors. theta energy: -106.440 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: 2 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1562.838799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.838799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.838799 (E_RNA) where: Base-Base interactions energy: -1023.943 where: short stacking energy: -446.837 Base-Backbone interact. energy: -5.626 local terms energy: -533.270074 where: bonds (distance) C4'-P energy: -110.756 bonds (distance) P-C4' energy: -116.125 flat angles C4'-P-C4' energy: -111.028 flat angles P-C4'-P energy: -96.668 tors. eta vs tors. theta energy: -98.693 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: 5 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1172.239980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.239980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.239980 (E_RNA) where: Base-Base interactions energy: -706.356 where: short stacking energy: -322.112 Base-Backbone interact. energy: -1.067 local terms energy: -464.816188 where: bonds (distance) C4'-P energy: -133.004 bonds (distance) P-C4' energy: -119.088 flat angles C4'-P-C4' energy: -110.761 flat angles P-C4'-P energy: -64.694 tors. eta vs tors. theta energy: -37.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -948.662132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.662132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.662132 (E_RNA) where: Base-Base interactions energy: -490.642 where: short stacking energy: -253.028 Base-Backbone interact. energy: 1.227 local terms energy: -459.246893 where: bonds (distance) C4'-P energy: -110.441 bonds (distance) P-C4' energy: -138.348 flat angles C4'-P-C4' energy: -112.870 flat angles P-C4'-P energy: -74.051 tors. eta vs tors. theta energy: -23.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2626.005140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.005140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.005140 (E_RNA) where: Base-Base interactions energy: -1831.453 where: short stacking energy: -785.713 Base-Backbone interact. energy: -3.465 local terms energy: -791.086840 where: bonds (distance) C4'-P energy: -136.510 bonds (distance) P-C4' energy: -145.458 flat angles C4'-P-C4' energy: -175.525 flat angles P-C4'-P energy: -111.742 tors. eta vs tors. theta energy: -221.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2506.353864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.353864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.353864 (E_RNA) where: Base-Base interactions energy: -1752.427 where: short stacking energy: -731.995 Base-Backbone interact. energy: -3.222 local terms energy: -750.705311 where: bonds (distance) C4'-P energy: -131.461 bonds (distance) P-C4' energy: -133.570 flat angles C4'-P-C4' energy: -169.314 flat angles P-C4'-P energy: -113.155 tors. eta vs tors. theta energy: -203.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2461.256740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.256740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.256740 (E_RNA) where: Base-Base interactions energy: -1706.563 where: short stacking energy: -721.358 Base-Backbone interact. energy: -3.714 local terms energy: -750.980394 where: bonds (distance) C4'-P energy: -143.848 bonds (distance) P-C4' energy: -127.653 flat angles C4'-P-C4' energy: -159.751 flat angles P-C4'-P energy: -115.294 tors. eta vs tors. theta energy: -204.435 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: 7 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2245.663120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.663120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.663120 (E_RNA) where: Base-Base interactions energy: -1497.041 where: short stacking energy: -696.282 Base-Backbone interact. energy: -3.448 local terms energy: -745.174641 where: bonds (distance) C4'-P energy: -148.633 bonds (distance) P-C4' energy: -133.569 flat angles C4'-P-C4' energy: -155.374 flat angles P-C4'-P energy: -112.139 tors. eta vs tors. theta energy: -195.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2185.902468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.902468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.902468 (E_RNA) where: Base-Base interactions energy: -1476.978 where: short stacking energy: -629.860 Base-Backbone interact. energy: 2.137 local terms energy: -711.061393 where: bonds (distance) C4'-P energy: -140.039 bonds (distance) P-C4' energy: -138.238 flat angles C4'-P-C4' energy: -149.248 flat angles P-C4'-P energy: -103.014 tors. eta vs tors. theta energy: -180.522 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: 10 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1988.865137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.865137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.865137 (E_RNA) where: Base-Base interactions energy: -1298.094 where: short stacking energy: -546.277 Base-Backbone interact. energy: 0.012 local terms energy: -690.782894 where: bonds (distance) C4'-P energy: -142.558 bonds (distance) P-C4' energy: -147.644 flat angles C4'-P-C4' energy: -150.266 flat angles P-C4'-P energy: -98.707 tors. eta vs tors. theta energy: -151.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1729.387795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.387795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.387795 (E_RNA) where: Base-Base interactions energy: -1143.513 where: short stacking energy: -521.533 Base-Backbone interact. energy: -1.362 local terms energy: -584.512304 where: bonds (distance) C4'-P energy: -117.426 bonds (distance) P-C4' energy: -139.536 flat angles C4'-P-C4' energy: -137.201 flat angles P-C4'-P energy: -84.064 tors. eta vs tors. theta energy: -106.284 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: 2 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1500.839291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.839291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.839291 (E_RNA) where: Base-Base interactions energy: -948.438 where: short stacking energy: -411.050 Base-Backbone interact. energy: -1.867 local terms energy: -550.534183 where: bonds (distance) C4'-P energy: -115.418 bonds (distance) P-C4' energy: -132.573 flat angles C4'-P-C4' energy: -141.115 flat angles P-C4'-P energy: -85.515 tors. eta vs tors. theta energy: -75.914 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: 5 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1184.844097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.844097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.844097 (E_RNA) where: Base-Base interactions energy: -716.273 where: short stacking energy: -315.742 Base-Backbone interact. energy: 2.031 local terms energy: -470.601947 where: bonds (distance) C4'-P energy: -116.012 bonds (distance) P-C4' energy: -132.957 flat angles C4'-P-C4' energy: -122.229 flat angles P-C4'-P energy: -66.030 tors. eta vs tors. theta energy: -33.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -1015.708235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.708235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.708235 (E_RNA) where: Base-Base interactions energy: -599.605 where: short stacking energy: -278.096 Base-Backbone interact. energy: 2.510 local terms energy: -418.613240 where: bonds (distance) C4'-P energy: -125.164 bonds (distance) P-C4' energy: -117.425 flat angles C4'-P-C4' energy: -101.179 flat angles P-C4'-P energy: -55.210 tors. eta vs tors. theta energy: -19.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2633.178150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.178150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.178150 (E_RNA) where: Base-Base interactions energy: -1812.641 where: short stacking energy: -801.804 Base-Backbone interact. energy: -0.526 local terms energy: -820.011575 where: bonds (distance) C4'-P energy: -135.530 bonds (distance) P-C4' energy: -159.526 flat angles C4'-P-C4' energy: -171.880 flat angles P-C4'-P energy: -125.313 tors. eta vs tors. theta energy: -227.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2518.517894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.517894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.517894 (E_RNA) where: Base-Base interactions energy: -1741.567 where: short stacking energy: -764.642 Base-Backbone interact. energy: -0.304 local terms energy: -776.646889 where: bonds (distance) C4'-P energy: -146.896 bonds (distance) P-C4' energy: -144.837 flat angles C4'-P-C4' energy: -149.770 flat angles P-C4'-P energy: -120.551 tors. eta vs tors. theta energy: -214.593 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: 1 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2455.862120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.862120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.862120 (E_RNA) where: Base-Base interactions energy: -1683.409 where: short stacking energy: -729.767 Base-Backbone interact. energy: -2.807 local terms energy: -769.646031 where: bonds (distance) C4'-P energy: -142.919 bonds (distance) P-C4' energy: -146.343 flat angles C4'-P-C4' energy: -163.700 flat angles P-C4'-P energy: -112.346 tors. eta vs tors. theta energy: -204.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2267.170985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.170985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.170985 (E_RNA) where: Base-Base interactions energy: -1551.396 where: short stacking energy: -701.120 Base-Backbone interact. energy: 0.077 local terms energy: -715.851842 where: bonds (distance) C4'-P energy: -129.116 bonds (distance) P-C4' energy: -130.221 flat angles C4'-P-C4' energy: -163.953 flat angles P-C4'-P energy: -103.575 tors. eta vs tors. theta energy: -188.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2161.605045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.605045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.605045 (E_RNA) where: Base-Base interactions energy: -1478.396 where: short stacking energy: -632.025 Base-Backbone interact. energy: 1.111 local terms energy: -684.320591 where: bonds (distance) C4'-P energy: -127.618 bonds (distance) P-C4' energy: -133.247 flat angles C4'-P-C4' energy: -142.384 flat angles P-C4'-P energy: -116.221 tors. eta vs tors. theta energy: -164.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1984.255560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.255560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.255560 (E_RNA) where: Base-Base interactions energy: -1306.710 where: short stacking energy: -585.466 Base-Backbone interact. energy: -2.214 local terms energy: -675.331521 where: bonds (distance) C4'-P energy: -121.258 bonds (distance) P-C4' energy: -134.248 flat angles C4'-P-C4' energy: -156.841 flat angles P-C4'-P energy: -96.103 tors. eta vs tors. theta energy: -166.882 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: 6 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1695.816390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.816390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.816390 (E_RNA) where: Base-Base interactions energy: -1132.194 where: short stacking energy: -519.142 Base-Backbone interact. energy: 4.497 local terms energy: -568.119162 where: bonds (distance) C4'-P energy: -128.227 bonds (distance) P-C4' energy: -120.571 flat angles C4'-P-C4' energy: -128.975 flat angles P-C4'-P energy: -73.645 tors. eta vs tors. theta energy: -116.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1499.747849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.747849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.747849 (E_RNA) where: Base-Base interactions energy: -977.810 where: short stacking energy: -424.199 Base-Backbone interact. energy: 2.163 local terms energy: -524.100709 where: bonds (distance) C4'-P energy: -111.998 bonds (distance) P-C4' energy: -118.449 flat angles C4'-P-C4' energy: -130.014 flat angles P-C4'-P energy: -71.947 tors. eta vs tors. theta energy: -91.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1233.010103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.010103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.010103 (E_RNA) where: Base-Base interactions energy: -729.254 where: short stacking energy: -363.525 Base-Backbone interact. energy: -3.058 local terms energy: -500.697975 where: bonds (distance) C4'-P energy: -91.771 bonds (distance) P-C4' energy: -135.559 flat angles C4'-P-C4' energy: -125.505 flat angles P-C4'-P energy: -85.761 tors. eta vs tors. theta energy: -62.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -912.868547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.868547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.868547 (E_RNA) where: Base-Base interactions energy: -486.281 where: short stacking energy: -260.786 Base-Backbone interact. energy: -0.549 local terms energy: -426.037669 where: bonds (distance) C4'-P energy: -125.576 bonds (distance) P-C4' energy: -121.169 flat angles C4'-P-C4' energy: -114.484 flat angles P-C4'-P energy: -63.671 tors. eta vs tors. theta energy: -1.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2599.638068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.638068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.638068 (E_RNA) where: Base-Base interactions energy: -1795.487 where: short stacking energy: -770.959 Base-Backbone interact. energy: -3.680 local terms energy: -800.470819 where: bonds (distance) C4'-P energy: -152.335 bonds (distance) P-C4' energy: -155.257 flat angles C4'-P-C4' energy: -170.796 flat angles P-C4'-P energy: -102.276 tors. eta vs tors. theta energy: -219.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2518.336471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.336471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.336471 (E_RNA) where: Base-Base interactions energy: -1745.662 where: short stacking energy: -747.626 Base-Backbone interact. energy: -2.555 local terms energy: -770.119575 where: bonds (distance) C4'-P energy: -132.620 bonds (distance) P-C4' energy: -152.515 flat angles C4'-P-C4' energy: -168.576 flat angles P-C4'-P energy: -95.860 tors. eta vs tors. theta energy: -220.548 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: 1 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2429.073988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.073988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.073988 (E_RNA) where: Base-Base interactions energy: -1673.743 where: short stacking energy: -730.180 Base-Backbone interact. energy: -0.685 local terms energy: -754.645279 where: bonds (distance) C4'-P energy: -131.322 bonds (distance) P-C4' energy: -144.937 flat angles C4'-P-C4' energy: -162.738 flat angles P-C4'-P energy: -109.235 tors. eta vs tors. theta energy: -206.414 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: 7 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2248.757947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.757947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.757947 (E_RNA) where: Base-Base interactions energy: -1533.632 where: short stacking energy: -702.240 Base-Backbone interact. energy: -3.058 local terms energy: -712.067704 where: bonds (distance) C4'-P energy: -106.869 bonds (distance) P-C4' energy: -145.721 flat angles C4'-P-C4' energy: -152.707 flat angles P-C4'-P energy: -103.927 tors. eta vs tors. theta energy: -202.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2171.790957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.790957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.790957 (E_RNA) where: Base-Base interactions energy: -1514.494 where: short stacking energy: -646.580 Base-Backbone interact. energy: -0.278 local terms energy: -657.019171 where: bonds (distance) C4'-P energy: -129.343 bonds (distance) P-C4' energy: -124.268 flat angles C4'-P-C4' energy: -150.945 flat angles P-C4'-P energy: -76.391 tors. eta vs tors. theta energy: -176.072 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: 378 Temperature: 1.150000 Total energy: -1942.205359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.205359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.205359 (E_RNA) where: Base-Base interactions energy: -1286.924 where: short stacking energy: -574.709 Base-Backbone interact. energy: -3.145 local terms energy: -652.136867 where: bonds (distance) C4'-P energy: -126.686 bonds (distance) P-C4' energy: -130.703 flat angles C4'-P-C4' energy: -144.212 flat angles P-C4'-P energy: -96.292 tors. eta vs tors. theta energy: -154.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1691.335549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.335549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.335549 (E_RNA) where: Base-Base interactions energy: -1128.324 where: short stacking energy: -486.907 Base-Backbone interact. energy: -1.485 local terms energy: -561.526401 where: bonds (distance) C4'-P energy: -118.673 bonds (distance) P-C4' energy: -116.934 flat angles C4'-P-C4' energy: -124.195 flat angles P-C4'-P energy: -85.135 tors. eta vs tors. theta energy: -116.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1443.492714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.492714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.492714 (E_RNA) where: Base-Base interactions energy: -926.907 where: short stacking energy: -423.691 Base-Backbone interact. energy: 0.803 local terms energy: -517.388758 where: bonds (distance) C4'-P energy: -116.010 bonds (distance) P-C4' energy: -124.074 flat angles C4'-P-C4' energy: -129.950 flat angles P-C4'-P energy: -71.547 tors. eta vs tors. theta energy: -75.808 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: 9, replica: 5 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1275.284573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.284573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.284573 (E_RNA) where: Base-Base interactions energy: -767.650 where: short stacking energy: -366.512 Base-Backbone interact. energy: 2.663 local terms energy: -510.297970 where: bonds (distance) C4'-P energy: -117.945 bonds (distance) P-C4' energy: -139.615 flat angles C4'-P-C4' energy: -114.633 flat angles P-C4'-P energy: -77.479 tors. eta vs tors. theta energy: -60.625 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: 9 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -930.642408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.642408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.642408 (E_RNA) where: Base-Base interactions energy: -526.420 where: short stacking energy: -255.117 Base-Backbone interact. energy: 0.997 local terms energy: -405.219273 where: bonds (distance) C4'-P energy: -112.813 bonds (distance) P-C4' energy: -125.257 flat angles C4'-P-C4' energy: -100.971 flat angles P-C4'-P energy: -44.918 tors. eta vs tors. theta energy: -21.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2579.816352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.816352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.816352 (E_RNA) where: Base-Base interactions energy: -1783.116 where: short stacking energy: -760.858 Base-Backbone interact. energy: -4.026 local terms energy: -792.674257 where: bonds (distance) C4'-P energy: -139.972 bonds (distance) P-C4' energy: -151.356 flat angles C4'-P-C4' energy: -175.348 flat angles P-C4'-P energy: -112.862 tors. eta vs tors. theta energy: -213.137 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: 8 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2549.361400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.361400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.361400 (E_RNA) where: Base-Base interactions energy: -1748.359 where: short stacking energy: -743.228 Base-Backbone interact. energy: -3.642 local terms energy: -797.360428 where: bonds (distance) C4'-P energy: -141.754 bonds (distance) P-C4' energy: -150.629 flat angles C4'-P-C4' energy: -161.427 flat angles P-C4'-P energy: -112.185 tors. eta vs tors. theta energy: -231.365 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: 3, replica: 1 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2446.426619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.426619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.426619 (E_RNA) where: Base-Base interactions energy: -1687.807 where: short stacking energy: -730.187 Base-Backbone interact. energy: 2.839 local terms energy: -761.458612 where: bonds (distance) C4'-P energy: -139.324 bonds (distance) P-C4' energy: -144.694 flat angles C4'-P-C4' energy: -170.197 flat angles P-C4'-P energy: -105.966 tors. eta vs tors. theta energy: -201.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2277.758829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.758829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.758829 (E_RNA) where: Base-Base interactions energy: -1544.255 where: short stacking energy: -701.853 Base-Backbone interact. energy: -2.279 local terms energy: -731.224652 where: bonds (distance) C4'-P energy: -126.345 bonds (distance) P-C4' energy: -140.463 flat angles C4'-P-C4' energy: -165.964 flat angles P-C4'-P energy: -104.168 tors. eta vs tors. theta energy: -194.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2140.632807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.632807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.632807 (E_RNA) where: Base-Base interactions energy: -1459.042 where: short stacking energy: -623.704 Base-Backbone interact. energy: 2.280 local terms energy: -683.870946 where: bonds (distance) C4'-P energy: -120.769 bonds (distance) P-C4' energy: -140.881 flat angles C4'-P-C4' energy: -151.394 flat angles P-C4'-P energy: -91.824 tors. eta vs tors. theta energy: -179.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1964.987995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.987995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.987995 (E_RNA) where: Base-Base interactions energy: -1316.510 where: short stacking energy: -562.362 Base-Backbone interact. energy: -3.521 local terms energy: -644.956862 where: bonds (distance) C4'-P energy: -113.905 bonds (distance) P-C4' energy: -141.766 flat angles C4'-P-C4' energy: -166.408 flat angles P-C4'-P energy: -85.622 tors. eta vs tors. theta energy: -137.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1757.934046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.934046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.934046 (E_RNA) where: Base-Base interactions energy: -1175.109 where: short stacking energy: -549.713 Base-Backbone interact. energy: 2.599 local terms energy: -585.424587 where: bonds (distance) C4'-P energy: -102.073 bonds (distance) P-C4' energy: -139.415 flat angles C4'-P-C4' energy: -121.498 flat angles P-C4'-P energy: -89.608 tors. eta vs tors. theta energy: -132.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1454.482927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.482927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.482927 (E_RNA) where: Base-Base interactions energy: -909.256 where: short stacking energy: -447.993 Base-Backbone interact. energy: -0.270 local terms energy: -544.957260 where: bonds (distance) C4'-P energy: -116.463 bonds (distance) P-C4' energy: -104.094 flat angles C4'-P-C4' energy: -134.991 flat angles P-C4'-P energy: -94.649 tors. eta vs tors. theta energy: -94.760 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: 5 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1191.746090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.746090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.746090 (E_RNA) where: Base-Base interactions energy: -723.398 where: short stacking energy: -338.233 Base-Backbone interact. energy: -1.019 local terms energy: -467.328690 where: bonds (distance) C4'-P energy: -123.464 bonds (distance) P-C4' energy: -123.976 flat angles C4'-P-C4' energy: -104.900 flat angles P-C4'-P energy: -72.544 tors. eta vs tors. theta energy: -42.445 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: 9 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -949.047121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.047121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.047121 (E_RNA) where: Base-Base interactions energy: -517.299 where: short stacking energy: -243.016 Base-Backbone interact. energy: -3.669 local terms energy: -428.078734 where: bonds (distance) C4'-P energy: -131.683 bonds (distance) P-C4' energy: -123.020 flat angles C4'-P-C4' energy: -101.719 flat angles P-C4'-P energy: -80.574 tors. eta vs tors. theta energy: 8.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2614.580659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.580659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.580659 (E_RNA) where: Base-Base interactions energy: -1806.899 where: short stacking energy: -770.059 Base-Backbone interact. energy: -3.266 local terms energy: -804.415075 where: bonds (distance) C4'-P energy: -150.169 bonds (distance) P-C4' energy: -148.874 flat angles C4'-P-C4' energy: -164.569 flat angles P-C4'-P energy: -124.295 tors. eta vs tors. theta energy: -216.508 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: 8 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2531.839043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.839043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.839043 (E_RNA) where: Base-Base interactions energy: -1773.840 where: short stacking energy: -752.458 Base-Backbone interact. energy: -2.094 local terms energy: -755.904380 where: bonds (distance) C4'-P energy: -136.840 bonds (distance) P-C4' energy: -137.245 flat angles C4'-P-C4' energy: -153.327 flat angles P-C4'-P energy: -107.919 tors. eta vs tors. theta energy: -220.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2450.542612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.542612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.542612 (E_RNA) where: Base-Base interactions energy: -1682.880 where: short stacking energy: -695.033 Base-Backbone interact. energy: -2.788 local terms energy: -764.875003 where: bonds (distance) C4'-P energy: -141.177 bonds (distance) P-C4' energy: -146.196 flat angles C4'-P-C4' energy: -159.397 flat angles P-C4'-P energy: -109.148 tors. eta vs tors. theta energy: -208.958 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: 7 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2263.034367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.034367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.034367 (E_RNA) where: Base-Base interactions energy: -1536.433 where: short stacking energy: -655.756 Base-Backbone interact. energy: -0.473 local terms energy: -726.127893 where: bonds (distance) C4'-P energy: -148.378 bonds (distance) P-C4' energy: -133.015 flat angles C4'-P-C4' energy: -156.480 flat angles P-C4'-P energy: -101.341 tors. eta vs tors. theta energy: -186.913 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: 5, replica: 3 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2136.445475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.445475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.445475 (E_RNA) where: Base-Base interactions energy: -1494.426 where: short stacking energy: -610.404 Base-Backbone interact. energy: 6.161 local terms energy: -648.180671 where: bonds (distance) C4'-P energy: -128.384 bonds (distance) P-C4' energy: -135.953 flat angles C4'-P-C4' energy: -139.781 flat angles P-C4'-P energy: -75.122 tors. eta vs tors. theta energy: -168.940 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: 10 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1964.401929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.401929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.401929 (E_RNA) where: Base-Base interactions energy: -1305.019 where: short stacking energy: -574.133 Base-Backbone interact. energy: 0.128 local terms energy: -659.510077 where: bonds (distance) C4'-P energy: -121.628 bonds (distance) P-C4' energy: -134.407 flat angles C4'-P-C4' energy: -149.069 flat angles P-C4'-P energy: -100.278 tors. eta vs tors. theta energy: -154.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1736.363799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.363799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.363799 (E_RNA) where: Base-Base interactions energy: -1161.488 where: short stacking energy: -524.004 Base-Backbone interact. energy: -0.695 local terms energy: -574.180848 where: bonds (distance) C4'-P energy: -101.717 bonds (distance) P-C4' energy: -133.548 flat angles C4'-P-C4' energy: -129.693 flat angles P-C4'-P energy: -89.839 tors. eta vs tors. theta energy: -119.385 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: 8, replica: 2 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1430.904128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.904128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.904128 (E_RNA) where: Base-Base interactions energy: -932.352 where: short stacking energy: -409.783 Base-Backbone interact. energy: 0.216 local terms energy: -498.768522 where: bonds (distance) C4'-P energy: -123.514 bonds (distance) P-C4' energy: -122.770 flat angles C4'-P-C4' energy: -110.854 flat angles P-C4'-P energy: -70.512 tors. eta vs tors. theta energy: -71.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1094.413348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.413348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.413348 (E_RNA) where: Base-Base interactions energy: -636.120 where: short stacking energy: -312.459 Base-Backbone interact. energy: 1.943 local terms energy: -460.237293 where: bonds (distance) C4'-P energy: -121.625 bonds (distance) P-C4' energy: -126.227 flat angles C4'-P-C4' energy: -93.928 flat angles P-C4'-P energy: -69.763 tors. eta vs tors. theta energy: -48.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -942.820114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.820114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.820114 (E_RNA) where: Base-Base interactions energy: -544.493 where: short stacking energy: -269.079 Base-Backbone interact. energy: 1.659 local terms energy: -399.986589 where: bonds (distance) C4'-P energy: -124.815 bonds (distance) P-C4' energy: -111.947 flat angles C4'-P-C4' energy: -94.117 flat angles P-C4'-P energy: -62.264 tors. eta vs tors. theta energy: -6.844 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: 4 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2629.452029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.452029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.452029 (E_RNA) where: Base-Base interactions energy: -1815.886 where: short stacking energy: -786.159 Base-Backbone interact. energy: -0.984 local terms energy: -812.581813 where: bonds (distance) C4'-P energy: -146.627 bonds (distance) P-C4' energy: -161.269 flat angles C4'-P-C4' energy: -169.622 flat angles P-C4'-P energy: -116.064 tors. eta vs tors. theta energy: -219.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2544.690047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.690047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.690047 (E_RNA) where: Base-Base interactions energy: -1736.318 where: short stacking energy: -729.183 Base-Backbone interact. energy: -4.062 local terms energy: -804.309874 where: bonds (distance) C4'-P energy: -146.852 bonds (distance) P-C4' energy: -159.615 flat angles C4'-P-C4' energy: -166.184 flat angles P-C4'-P energy: -109.255 tors. eta vs tors. theta energy: -222.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2468.424117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.424117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.424117 (E_RNA) where: Base-Base interactions energy: -1722.237 where: short stacking energy: -731.924 Base-Backbone interact. energy: -0.011 local terms energy: -746.176495 where: bonds (distance) C4'-P energy: -122.272 bonds (distance) P-C4' energy: -133.564 flat angles C4'-P-C4' energy: -163.566 flat angles P-C4'-P energy: -111.660 tors. eta vs tors. theta energy: -215.116 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: 7 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2283.433306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.433306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.433306 (E_RNA) where: Base-Base interactions energy: -1560.584 where: short stacking energy: -712.782 Base-Backbone interact. energy: -1.619 local terms energy: -721.231262 where: bonds (distance) C4'-P energy: -116.262 bonds (distance) P-C4' energy: -122.863 flat angles C4'-P-C4' energy: -164.123 flat angles P-C4'-P energy: -108.481 tors. eta vs tors. theta energy: -209.501 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: 5, replica: 3 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2169.101793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.101793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.101793 (E_RNA) where: Base-Base interactions energy: -1446.645 where: short stacking energy: -624.286 Base-Backbone interact. energy: -4.017 local terms energy: -718.440638 where: bonds (distance) C4'-P energy: -147.487 bonds (distance) P-C4' energy: -129.136 flat angles C4'-P-C4' energy: -147.603 flat angles P-C4'-P energy: -104.316 tors. eta vs tors. theta energy: -189.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1954.035167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.035167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.035167 (E_RNA) where: Base-Base interactions energy: -1313.385 where: short stacking energy: -570.178 Base-Backbone interact. energy: 5.190 local terms energy: -645.841117 where: bonds (distance) C4'-P energy: -134.856 bonds (distance) P-C4' energy: -127.892 flat angles C4'-P-C4' energy: -145.361 flat angles P-C4'-P energy: -96.102 tors. eta vs tors. theta energy: -141.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1710.162741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.162741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.162741 (E_RNA) where: Base-Base interactions energy: -1146.606 where: short stacking energy: -510.755 Base-Backbone interact. energy: 0.864 local terms energy: -564.420412 where: bonds (distance) C4'-P energy: -124.194 bonds (distance) P-C4' energy: -124.152 flat angles C4'-P-C4' energy: -114.447 flat angles P-C4'-P energy: -85.847 tors. eta vs tors. theta energy: -115.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1491.108239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.108239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.108239 (E_RNA) where: Base-Base interactions energy: -948.036 where: short stacking energy: -433.678 Base-Backbone interact. energy: 0.473 local terms energy: -543.545720 where: bonds (distance) C4'-P energy: -127.813 bonds (distance) P-C4' energy: -126.376 flat angles C4'-P-C4' energy: -130.994 flat angles P-C4'-P energy: -75.428 tors. eta vs tors. theta energy: -82.935 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: 9, replica: 5 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1116.281640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.281640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.281640 (E_RNA) where: Base-Base interactions energy: -642.420 where: short stacking energy: -321.072 Base-Backbone interact. energy: 2.419 local terms energy: -476.281159 where: bonds (distance) C4'-P energy: -121.685 bonds (distance) P-C4' energy: -114.906 flat angles C4'-P-C4' energy: -118.277 flat angles P-C4'-P energy: -78.274 tors. eta vs tors. theta energy: -43.139 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: 9 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -960.440984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.440984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.440984 (E_RNA) where: Base-Base interactions energy: -529.647 where: short stacking energy: -282.229 Base-Backbone interact. energy: 0.698 local terms energy: -431.492645 where: bonds (distance) C4'-P energy: -122.511 bonds (distance) P-C4' energy: -123.104 flat angles C4'-P-C4' energy: -118.934 flat angles P-C4'-P energy: -59.206 tors. eta vs tors. theta energy: -7.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2644.989399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.989399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.989399 (E_RNA) where: Base-Base interactions energy: -1822.618 where: short stacking energy: -809.247 Base-Backbone interact. energy: -4.726 local terms energy: -817.645586 where: bonds (distance) C4'-P energy: -143.481 bonds (distance) P-C4' energy: -148.114 flat angles C4'-P-C4' energy: -181.054 flat angles P-C4'-P energy: -118.729 tors. eta vs tors. theta energy: -226.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2530.871172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.871172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.871172 (E_RNA) where: Base-Base interactions energy: -1730.593 where: short stacking energy: -749.270 Base-Backbone interact. energy: -3.390 local terms energy: -796.888272 where: bonds (distance) C4'-P energy: -141.378 bonds (distance) P-C4' energy: -150.911 flat angles C4'-P-C4' energy: -173.566 flat angles P-C4'-P energy: -113.463 tors. eta vs tors. theta energy: -217.571 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: 1 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2493.088578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.088578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.088578 (E_RNA) where: Base-Base interactions energy: -1705.385 where: short stacking energy: -734.915 Base-Backbone interact. energy: -4.036 local terms energy: -783.668231 where: bonds (distance) C4'-P energy: -136.629 bonds (distance) P-C4' energy: -144.727 flat angles C4'-P-C4' energy: -176.545 flat angles P-C4'-P energy: -106.477 tors. eta vs tors. theta energy: -219.290 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: 7 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2285.581767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.581767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.581767 (E_RNA) where: Base-Base interactions energy: -1564.306 where: short stacking energy: -683.492 Base-Backbone interact. energy: -1.081 local terms energy: -720.194584 where: bonds (distance) C4'-P energy: -114.421 bonds (distance) P-C4' energy: -146.301 flat angles C4'-P-C4' energy: -154.486 flat angles P-C4'-P energy: -102.468 tors. eta vs tors. theta energy: -202.519 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: 3 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2136.299221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.299221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.299221 (E_RNA) where: Base-Base interactions energy: -1429.555 where: short stacking energy: -621.780 Base-Backbone interact. energy: 0.195 local terms energy: -706.939952 where: bonds (distance) C4'-P energy: -115.639 bonds (distance) P-C4' energy: -143.053 flat angles C4'-P-C4' energy: -156.165 flat angles P-C4'-P energy: -101.522 tors. eta vs tors. theta energy: -190.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2002.106952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.106952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.106952 (E_RNA) where: Base-Base interactions energy: -1349.843 where: short stacking energy: -584.720 Base-Backbone interact. energy: -1.004 local terms energy: -651.260158 where: bonds (distance) C4'-P energy: -114.175 bonds (distance) P-C4' energy: -133.866 flat angles C4'-P-C4' energy: -147.129 flat angles P-C4'-P energy: -95.923 tors. eta vs tors. theta energy: -160.167 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: 6 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1673.565655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.565655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.565655 (E_RNA) where: Base-Base interactions energy: -1048.713 where: short stacking energy: -461.852 Base-Backbone interact. energy: -1.579 local terms energy: -623.273106 where: bonds (distance) C4'-P energy: -132.523 bonds (distance) P-C4' energy: -135.792 flat angles C4'-P-C4' energy: -156.116 flat angles P-C4'-P energy: -85.029 tors. eta vs tors. theta energy: -113.814 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: 382 Temperature: 1.250000 Total energy: -1515.540876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.540876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.540876 (E_RNA) where: Base-Base interactions energy: -994.032 where: short stacking energy: -439.309 Base-Backbone interact. energy: 5.188 local terms energy: -526.697038 where: bonds (distance) C4'-P energy: -124.765 bonds (distance) P-C4' energy: -114.378 flat angles C4'-P-C4' energy: -133.557 flat angles P-C4'-P energy: -77.801 tors. eta vs tors. theta energy: -76.197 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: 9, replica: 5 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1111.392244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.392244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.392244 (E_RNA) where: Base-Base interactions energy: -632.760 where: short stacking energy: -296.981 Base-Backbone interact. energy: -2.419 local terms energy: -476.212527 where: bonds (distance) C4'-P energy: -130.359 bonds (distance) P-C4' energy: -134.489 flat angles C4'-P-C4' energy: -104.887 flat angles P-C4'-P energy: -73.717 tors. eta vs tors. theta energy: -32.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -960.052054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.052054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.052054 (E_RNA) where: Base-Base interactions energy: -524.971 where: short stacking energy: -296.217 Base-Backbone interact. energy: 2.220 local terms energy: -437.301686 where: bonds (distance) C4'-P energy: -106.426 bonds (distance) P-C4' energy: -132.116 flat angles C4'-P-C4' energy: -92.624 flat angles P-C4'-P energy: -76.220 tors. eta vs tors. theta energy: -29.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2629.303076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.303076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.303076 (E_RNA) where: Base-Base interactions energy: -1809.175 where: short stacking energy: -769.345 Base-Backbone interact. energy: -5.958 local terms energy: -814.169882 where: bonds (distance) C4'-P energy: -134.557 bonds (distance) P-C4' energy: -150.137 flat angles C4'-P-C4' energy: -183.174 flat angles P-C4'-P energy: -120.874 tors. eta vs tors. theta energy: -225.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2550.626946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.626946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.626946 (E_RNA) where: Base-Base interactions energy: -1760.429 where: short stacking energy: -750.497 Base-Backbone interact. energy: 2.382 local terms energy: -792.579145 where: bonds (distance) C4'-P energy: -159.774 bonds (distance) P-C4' energy: -134.062 flat angles C4'-P-C4' energy: -165.333 flat angles P-C4'-P energy: -113.956 tors. eta vs tors. theta energy: -219.454 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: 1 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2476.477438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.477438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.477438 (E_RNA) where: Base-Base interactions energy: -1734.946 where: short stacking energy: -717.359 Base-Backbone interact. energy: -1.112 local terms energy: -740.420077 where: bonds (distance) C4'-P energy: -137.631 bonds (distance) P-C4' energy: -131.559 flat angles C4'-P-C4' energy: -158.128 flat angles P-C4'-P energy: -109.372 tors. eta vs tors. theta energy: -203.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2251.656201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.656201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.656201 (E_RNA) where: Base-Base interactions energy: -1531.364 where: short stacking energy: -679.749 Base-Backbone interact. energy: 0.779 local terms energy: -721.070585 where: bonds (distance) C4'-P energy: -130.663 bonds (distance) P-C4' energy: -142.162 flat angles C4'-P-C4' energy: -163.409 flat angles P-C4'-P energy: -88.643 tors. eta vs tors. theta energy: -196.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2095.535738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.535738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.535738 (E_RNA) where: Base-Base interactions energy: -1406.458 where: short stacking energy: -613.689 Base-Backbone interact. energy: 0.574 local terms energy: -689.651562 where: bonds (distance) C4'-P energy: -139.270 bonds (distance) P-C4' energy: -130.062 flat angles C4'-P-C4' energy: -163.937 flat angles P-C4'-P energy: -92.445 tors. eta vs tors. theta energy: -163.938 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: 383 Temperature: 1.150000 Total energy: -1985.150071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.150071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.150071 (E_RNA) where: Base-Base interactions energy: -1335.704 where: short stacking energy: -596.033 Base-Backbone interact. energy: 0.243 local terms energy: -649.689714 where: bonds (distance) C4'-P energy: -124.309 bonds (distance) P-C4' energy: -134.790 flat angles C4'-P-C4' energy: -145.652 flat angles P-C4'-P energy: -95.970 tors. eta vs tors. theta energy: -148.968 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: 383 Temperature: 1.200000 Total energy: -1707.596876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.596876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.596876 (E_RNA) where: Base-Base interactions energy: -1131.449 where: short stacking energy: -500.844 Base-Backbone interact. energy: -2.372 local terms energy: -573.775578 where: bonds (distance) C4'-P energy: -119.078 bonds (distance) P-C4' energy: -128.526 flat angles C4'-P-C4' energy: -129.575 flat angles P-C4'-P energy: -88.223 tors. eta vs tors. theta energy: -108.375 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: 2 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1530.801845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.801845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.801845 (E_RNA) where: Base-Base interactions energy: -959.721 where: short stacking energy: -424.651 Base-Backbone interact. energy: -0.260 local terms energy: -570.821230 where: bonds (distance) C4'-P energy: -122.104 bonds (distance) P-C4' energy: -129.701 flat angles C4'-P-C4' energy: -120.399 flat angles P-C4'-P energy: -91.370 tors. eta vs tors. theta energy: -107.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1099.205221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.205221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.205221 (E_RNA) where: Base-Base interactions energy: -651.909 where: short stacking energy: -328.289 Base-Backbone interact. energy: -3.319 local terms energy: -443.976944 where: bonds (distance) C4'-P energy: -118.654 bonds (distance) P-C4' energy: -111.293 flat angles C4'-P-C4' energy: -117.389 flat angles P-C4'-P energy: -62.072 tors. eta vs tors. theta energy: -34.569 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: 9 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -988.437012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.437012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.437012 (E_RNA) where: Base-Base interactions energy: -574.088 where: short stacking energy: -308.635 Base-Backbone interact. energy: 9.171 local terms energy: -423.519941 where: bonds (distance) C4'-P energy: -103.340 bonds (distance) P-C4' energy: -120.245 flat angles C4'-P-C4' energy: -114.306 flat angles P-C4'-P energy: -69.705 tors. eta vs tors. theta energy: -15.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2606.389658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.389658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.389658 (E_RNA) where: Base-Base interactions energy: -1840.364 where: short stacking energy: -780.168 Base-Backbone interact. energy: -0.682 local terms energy: -765.344220 where: bonds (distance) C4'-P energy: -135.266 bonds (distance) P-C4' energy: -146.408 flat angles C4'-P-C4' energy: -160.113 flat angles P-C4'-P energy: -103.031 tors. eta vs tors. theta energy: -220.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2535.472590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.472590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.472590 (E_RNA) where: Base-Base interactions energy: -1777.493 where: short stacking energy: -766.525 Base-Backbone interact. energy: -1.332 local terms energy: -756.647490 where: bonds (distance) C4'-P energy: -153.046 bonds (distance) P-C4' energy: -115.308 flat angles C4'-P-C4' energy: -156.676 flat angles P-C4'-P energy: -113.424 tors. eta vs tors. theta energy: -218.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2458.628180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.628180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.628180 (E_RNA) where: Base-Base interactions energy: -1698.504 where: short stacking energy: -712.916 Base-Backbone interact. energy: -4.687 local terms energy: -755.438008 where: bonds (distance) C4'-P energy: -135.578 bonds (distance) P-C4' energy: -139.895 flat angles C4'-P-C4' energy: -160.364 flat angles P-C4'-P energy: -114.906 tors. eta vs tors. theta energy: -204.696 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: 7 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2281.443851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.443851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.443851 (E_RNA) where: Base-Base interactions energy: -1560.048 where: short stacking energy: -687.651 Base-Backbone interact. energy: -1.307 local terms energy: -720.088516 where: bonds (distance) C4'-P energy: -135.701 bonds (distance) P-C4' energy: -139.517 flat angles C4'-P-C4' energy: -143.185 flat angles P-C4'-P energy: -97.916 tors. eta vs tors. theta energy: -203.770 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: 3 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2075.094286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.094286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.094286 (E_RNA) where: Base-Base interactions energy: -1394.896 where: short stacking energy: -593.682 Base-Backbone interact. energy: -2.196 local terms energy: -678.001864 where: bonds (distance) C4'-P energy: -125.876 bonds (distance) P-C4' energy: -129.146 flat angles C4'-P-C4' energy: -149.688 flat angles P-C4'-P energy: -100.249 tors. eta vs tors. theta energy: -173.043 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: 10 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1971.244651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.244651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.244651 (E_RNA) where: Base-Base interactions energy: -1309.068 where: short stacking energy: -569.933 Base-Backbone interact. energy: 0.257 local terms energy: -662.433585 where: bonds (distance) C4'-P energy: -123.973 bonds (distance) P-C4' energy: -125.810 flat angles C4'-P-C4' energy: -151.601 flat angles P-C4'-P energy: -93.254 tors. eta vs tors. theta energy: -167.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1691.306830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.306830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.306830 (E_RNA) where: Base-Base interactions energy: -1110.776 where: short stacking energy: -471.167 Base-Backbone interact. energy: -0.584 local terms energy: -579.946925 where: bonds (distance) C4'-P energy: -129.176 bonds (distance) P-C4' energy: -116.694 flat angles C4'-P-C4' energy: -135.428 flat angles P-C4'-P energy: -102.132 tors. eta vs tors. theta energy: -96.517 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: 384 Temperature: 1.250000 Total energy: -1536.852762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.852762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.852762 (E_RNA) where: Base-Base interactions energy: -967.920 where: short stacking energy: -446.193 Base-Backbone interact. energy: -3.832 local terms energy: -565.101188 where: bonds (distance) C4'-P energy: -115.597 bonds (distance) P-C4' energy: -133.924 flat angles C4'-P-C4' energy: -124.829 flat angles P-C4'-P energy: -85.391 tors. eta vs tors. theta energy: -105.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1131.169140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.169140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.169140 (E_RNA) where: Base-Base interactions energy: -676.944 where: short stacking energy: -313.984 Base-Backbone interact. energy: 4.232 local terms energy: -458.457204 where: bonds (distance) C4'-P energy: -98.380 bonds (distance) P-C4' energy: -124.728 flat angles C4'-P-C4' energy: -124.658 flat angles P-C4'-P energy: -76.984 tors. eta vs tors. theta energy: -33.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -1110.113161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.113161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.113161 (E_RNA) where: Base-Base interactions energy: -647.171 where: short stacking energy: -315.253 Base-Backbone interact. energy: -1.699 local terms energy: -461.243070 where: bonds (distance) C4'-P energy: -112.473 bonds (distance) P-C4' energy: -116.453 flat angles C4'-P-C4' energy: -127.112 flat angles P-C4'-P energy: -62.575 tors. eta vs tors. theta energy: -42.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2594.868043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.868043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.868043 (E_RNA) where: Base-Base interactions energy: -1813.925 where: short stacking energy: -794.968 Base-Backbone interact. energy: -2.619 local terms energy: -778.324729 where: bonds (distance) C4'-P energy: -141.172 bonds (distance) P-C4' energy: -140.435 flat angles C4'-P-C4' energy: -167.385 flat angles P-C4'-P energy: -106.662 tors. eta vs tors. theta energy: -222.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2546.784241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.784241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.784241 (E_RNA) where: Base-Base interactions energy: -1797.157 where: short stacking energy: -761.120 Base-Backbone interact. energy: -3.475 local terms energy: -746.152029 where: bonds (distance) C4'-P energy: -129.962 bonds (distance) P-C4' energy: -141.357 flat angles C4'-P-C4' energy: -158.364 flat angles P-C4'-P energy: -94.574 tors. eta vs tors. theta energy: -221.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2463.126088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.126088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.126088 (E_RNA) where: Base-Base interactions energy: -1674.279 where: short stacking energy: -715.245 Base-Backbone interact. energy: -0.460 local terms energy: -788.386216 where: bonds (distance) C4'-P energy: -145.233 bonds (distance) P-C4' energy: -139.676 flat angles C4'-P-C4' energy: -169.493 flat angles P-C4'-P energy: -113.446 tors. eta vs tors. theta energy: -220.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2263.999607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.999607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.999607 (E_RNA) where: Base-Base interactions energy: -1555.599 where: short stacking energy: -694.899 Base-Backbone interact. energy: -3.810 local terms energy: -704.591331 where: bonds (distance) C4'-P energy: -143.038 bonds (distance) P-C4' energy: -113.349 flat angles C4'-P-C4' energy: -147.201 flat angles P-C4'-P energy: -97.658 tors. eta vs tors. theta energy: -203.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2106.948477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.948477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.948477 (E_RNA) where: Base-Base interactions energy: -1418.417 where: short stacking energy: -595.130 Base-Backbone interact. energy: 2.327 local terms energy: -690.858312 where: bonds (distance) C4'-P energy: -137.160 bonds (distance) P-C4' energy: -123.884 flat angles C4'-P-C4' energy: -153.477 flat angles P-C4'-P energy: -94.088 tors. eta vs tors. theta energy: -182.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1985.133719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.133719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.133719 (E_RNA) where: Base-Base interactions energy: -1318.816 where: short stacking energy: -583.259 Base-Backbone interact. energy: -3.382 local terms energy: -662.935315 where: bonds (distance) C4'-P energy: -127.106 bonds (distance) P-C4' energy: -132.085 flat angles C4'-P-C4' energy: -145.692 flat angles P-C4'-P energy: -96.452 tors. eta vs tors. theta energy: -161.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1695.192440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.192440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.192440 (E_RNA) where: Base-Base interactions energy: -1114.981 where: short stacking energy: -469.902 Base-Backbone interact. energy: 0.147 local terms energy: -580.359171 where: bonds (distance) C4'-P energy: -122.137 bonds (distance) P-C4' energy: -142.634 flat angles C4'-P-C4' energy: -125.400 flat angles P-C4'-P energy: -90.885 tors. eta vs tors. theta energy: -99.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1584.915825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.915825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.915825 (E_RNA) where: Base-Base interactions energy: -1021.438 where: short stacking energy: -475.079 Base-Backbone interact. energy: 1.082 local terms energy: -564.559732 where: bonds (distance) C4'-P energy: -129.627 bonds (distance) P-C4' energy: -140.258 flat angles C4'-P-C4' energy: -122.505 flat angles P-C4'-P energy: -71.626 tors. eta vs tors. theta energy: -100.543 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: 9 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1095.916163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.916163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.916163 (E_RNA) where: Base-Base interactions energy: -629.025 where: short stacking energy: -311.170 Base-Backbone interact. energy: -1.161 local terms energy: -465.729325 where: bonds (distance) C4'-P energy: -126.414 bonds (distance) P-C4' energy: -128.944 flat angles C4'-P-C4' energy: -98.866 flat angles P-C4'-P energy: -67.174 tors. eta vs tors. theta energy: -44.331 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: 5 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -1006.997169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.997169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.997169 (E_RNA) where: Base-Base interactions energy: -593.747 where: short stacking energy: -299.410 Base-Backbone interact. energy: 5.696 local terms energy: -418.946010 where: bonds (distance) C4'-P energy: -91.166 bonds (distance) P-C4' energy: -121.387 flat angles C4'-P-C4' energy: -112.434 flat angles P-C4'-P energy: -64.848 tors. eta vs tors. theta energy: -29.112 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: 4 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2606.663496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.663496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.663496 (E_RNA) where: Base-Base interactions energy: -1824.059 where: short stacking energy: -778.961 Base-Backbone interact. energy: -0.480 local terms energy: -782.124340 where: bonds (distance) C4'-P energy: -148.945 bonds (distance) P-C4' energy: -149.410 flat angles C4'-P-C4' energy: -165.061 flat angles P-C4'-P energy: -88.295 tors. eta vs tors. theta energy: -230.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2588.100009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.100009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.100009 (E_RNA) where: Base-Base interactions energy: -1784.664 where: short stacking energy: -761.119 Base-Backbone interact. energy: -2.721 local terms energy: -800.715073 where: bonds (distance) C4'-P energy: -138.800 bonds (distance) P-C4' energy: -152.079 flat angles C4'-P-C4' energy: -163.849 flat angles P-C4'-P energy: -113.045 tors. eta vs tors. theta energy: -232.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2489.484476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.484476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.484476 (E_RNA) where: Base-Base interactions energy: -1707.421 where: short stacking energy: -713.845 Base-Backbone interact. energy: -3.637 local terms energy: -778.426600 where: bonds (distance) C4'-P energy: -145.798 bonds (distance) P-C4' energy: -150.291 flat angles C4'-P-C4' energy: -164.931 flat angles P-C4'-P energy: -104.426 tors. eta vs tors. theta energy: -212.980 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: 7 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2285.142782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.142782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.142782 (E_RNA) where: Base-Base interactions energy: -1541.412 where: short stacking energy: -685.614 Base-Backbone interact. energy: -2.229 local terms energy: -741.501491 where: bonds (distance) C4'-P energy: -121.434 bonds (distance) P-C4' energy: -152.424 flat angles C4'-P-C4' energy: -153.092 flat angles P-C4'-P energy: -111.324 tors. eta vs tors. theta energy: -203.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2112.413329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.413329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.413329 (E_RNA) where: Base-Base interactions energy: -1433.972 where: short stacking energy: -609.190 Base-Backbone interact. energy: -2.242 local terms energy: -676.198768 where: bonds (distance) C4'-P energy: -126.803 bonds (distance) P-C4' energy: -139.792 flat angles C4'-P-C4' energy: -145.912 flat angles P-C4'-P energy: -85.776 tors. eta vs tors. theta energy: -177.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2005.744310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.744310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.744310 (E_RNA) where: Base-Base interactions energy: -1363.210 where: short stacking energy: -577.117 Base-Backbone interact. energy: 3.013 local terms energy: -645.548000 where: bonds (distance) C4'-P energy: -115.774 bonds (distance) P-C4' energy: -142.088 flat angles C4'-P-C4' energy: -152.437 flat angles P-C4'-P energy: -86.627 tors. eta vs tors. theta energy: -148.622 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: 6 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1723.819201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.819201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.819201 (E_RNA) where: Base-Base interactions energy: -1146.658 where: short stacking energy: -502.540 Base-Backbone interact. energy: -1.455 local terms energy: -575.706628 where: bonds (distance) C4'-P energy: -119.309 bonds (distance) P-C4' energy: -142.368 flat angles C4'-P-C4' energy: -135.490 flat angles P-C4'-P energy: -75.961 tors. eta vs tors. theta energy: -102.579 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: 2 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1572.923810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.923810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.923810 (E_RNA) where: Base-Base interactions energy: -1012.842 where: short stacking energy: -476.330 Base-Backbone interact. energy: -0.984 local terms energy: -559.098182 where: bonds (distance) C4'-P energy: -108.856 bonds (distance) P-C4' energy: -133.359 flat angles C4'-P-C4' energy: -122.501 flat angles P-C4'-P energy: -87.934 tors. eta vs tors. theta energy: -106.449 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: 9 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1101.031722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.031722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.031722 (E_RNA) where: Base-Base interactions energy: -641.526 where: short stacking energy: -298.875 Base-Backbone interact. energy: 5.148 local terms energy: -464.653993 where: bonds (distance) C4'-P energy: -122.459 bonds (distance) P-C4' energy: -129.969 flat angles C4'-P-C4' energy: -99.892 flat angles P-C4'-P energy: -65.010 tors. eta vs tors. theta energy: -47.324 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: 10, replica: 5 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -984.295385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.295385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.295385 (E_RNA) where: Base-Base interactions energy: -556.353 where: short stacking energy: -260.375 Base-Backbone interact. energy: -0.588 local terms energy: -427.353930 where: bonds (distance) C4'-P energy: -115.444 bonds (distance) P-C4' energy: -121.097 flat angles C4'-P-C4' energy: -116.199 flat angles P-C4'-P energy: -58.906 tors. eta vs tors. theta energy: -15.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2619.739281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.739281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.739281 (E_RNA) where: Base-Base interactions energy: -1828.851 where: short stacking energy: -754.604 Base-Backbone interact. energy: -1.897 local terms energy: -788.991594 where: bonds (distance) C4'-P energy: -157.623 bonds (distance) P-C4' energy: -140.341 flat angles C4'-P-C4' energy: -163.576 flat angles P-C4'-P energy: -105.882 tors. eta vs tors. theta energy: -221.570 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: 8 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2608.389139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.389139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.389139 (E_RNA) where: Base-Base interactions energy: -1786.102 where: short stacking energy: -757.426 Base-Backbone interact. energy: -3.042 local terms energy: -819.245057 where: bonds (distance) C4'-P energy: -152.040 bonds (distance) P-C4' energy: -153.841 flat angles C4'-P-C4' energy: -166.777 flat angles P-C4'-P energy: -115.833 tors. eta vs tors. theta energy: -230.755 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: 3, replica: 1 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2467.364011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.364011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.364011 (E_RNA) where: Base-Base interactions energy: -1677.773 where: short stacking energy: -737.481 Base-Backbone interact. energy: -1.581 local terms energy: -788.009646 where: bonds (distance) C4'-P energy: -147.337 bonds (distance) P-C4' energy: -159.833 flat angles C4'-P-C4' energy: -162.915 flat angles P-C4'-P energy: -105.205 tors. eta vs tors. theta energy: -212.719 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: 7 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2314.081456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.081456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.081456 (E_RNA) where: Base-Base interactions energy: -1581.451 where: short stacking energy: -722.341 Base-Backbone interact. energy: -1.775 local terms energy: -730.854781 where: bonds (distance) C4'-P energy: -134.255 bonds (distance) P-C4' energy: -137.494 flat angles C4'-P-C4' energy: -149.347 flat angles P-C4'-P energy: -98.462 tors. eta vs tors. theta energy: -211.296 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: 3 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2132.086913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.086913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.086913 (E_RNA) where: Base-Base interactions energy: -1457.007 where: short stacking energy: -603.864 Base-Backbone interact. energy: -4.242 local terms energy: -670.837756 where: bonds (distance) C4'-P energy: -125.439 bonds (distance) P-C4' energy: -147.172 flat angles C4'-P-C4' energy: -138.640 flat angles P-C4'-P energy: -93.850 tors. eta vs tors. theta energy: -165.736 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: 6, replica: 10 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1963.995693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.995693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.995693 (E_RNA) where: Base-Base interactions energy: -1321.070 where: short stacking energy: -591.365 Base-Backbone interact. energy: -5.126 local terms energy: -637.799721 where: bonds (distance) C4'-P energy: -122.002 bonds (distance) P-C4' energy: -132.410 flat angles C4'-P-C4' energy: -141.816 flat angles P-C4'-P energy: -98.677 tors. eta vs tors. theta energy: -142.894 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: 6 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1883.518010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.518010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.518010 (E_RNA) where: Base-Base interactions energy: -1268.402 where: short stacking energy: -561.537 Base-Backbone interact. energy: -3.041 local terms energy: -612.075239 where: bonds (distance) C4'-P energy: -108.048 bonds (distance) P-C4' energy: -134.656 flat angles C4'-P-C4' energy: -140.976 flat angles P-C4'-P energy: -84.610 tors. eta vs tors. theta energy: -143.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1499.046878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.046878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.046878 (E_RNA) where: Base-Base interactions energy: -968.013 where: short stacking energy: -417.941 Base-Backbone interact. energy: -0.338 local terms energy: -530.696250 where: bonds (distance) C4'-P energy: -117.426 bonds (distance) P-C4' energy: -131.043 flat angles C4'-P-C4' energy: -119.934 flat angles P-C4'-P energy: -84.245 tors. eta vs tors. theta energy: -78.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1038.214784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.214784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.214784 (E_RNA) where: Base-Base interactions energy: -557.774 where: short stacking energy: -302.568 Base-Backbone interact. energy: 1.181 local terms energy: -481.621093 where: bonds (distance) C4'-P energy: -136.000 bonds (distance) P-C4' energy: -125.081 flat angles C4'-P-C4' energy: -105.132 flat angles P-C4'-P energy: -62.592 tors. eta vs tors. theta energy: -52.816 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: 5 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -999.988812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.988812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.988812 (E_RNA) where: Base-Base interactions energy: -578.051 where: short stacking energy: -276.069 Base-Backbone interact. energy: -0.698 local terms energy: -421.239449 where: bonds (distance) C4'-P energy: -117.671 bonds (distance) P-C4' energy: -126.727 flat angles C4'-P-C4' energy: -120.484 flat angles P-C4'-P energy: -33.146 tors. eta vs tors. theta energy: -23.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2608.961737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.961737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.961737 (E_RNA) where: Base-Base interactions energy: -1834.019 where: short stacking energy: -763.085 Base-Backbone interact. energy: 3.088 local terms energy: -778.030994 where: bonds (distance) C4'-P energy: -127.861 bonds (distance) P-C4' energy: -143.921 flat angles C4'-P-C4' energy: -162.465 flat angles P-C4'-P energy: -116.934 tors. eta vs tors. theta energy: -226.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2574.903500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.903500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.903500 (E_RNA) where: Base-Base interactions energy: -1780.272 where: short stacking energy: -761.676 Base-Backbone interact. energy: -1.466 local terms energy: -793.165014 where: bonds (distance) C4'-P energy: -152.909 bonds (distance) P-C4' energy: -144.192 flat angles C4'-P-C4' energy: -161.873 flat angles P-C4'-P energy: -118.603 tors. eta vs tors. theta energy: -215.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2431.455207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.455207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.455207 (E_RNA) where: Base-Base interactions energy: -1696.258 where: short stacking energy: -710.663 Base-Backbone interact. energy: 7.781 local terms energy: -742.978773 where: bonds (distance) C4'-P energy: -133.964 bonds (distance) P-C4' energy: -137.923 flat angles C4'-P-C4' energy: -157.189 flat angles P-C4'-P energy: -96.841 tors. eta vs tors. theta energy: -217.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2252.128864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.128864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.128864 (E_RNA) where: Base-Base interactions energy: -1545.352 where: short stacking energy: -688.082 Base-Backbone interact. energy: 1.871 local terms energy: -708.647740 where: bonds (distance) C4'-P energy: -127.809 bonds (distance) P-C4' energy: -131.362 flat angles C4'-P-C4' energy: -149.591 flat angles P-C4'-P energy: -97.872 tors. eta vs tors. theta energy: -202.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2146.686101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.686101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.686101 (E_RNA) where: Base-Base interactions energy: -1446.609 where: short stacking energy: -630.135 Base-Backbone interact. energy: -1.291 local terms energy: -698.785487 where: bonds (distance) C4'-P energy: -135.664 bonds (distance) P-C4' energy: -146.853 flat angles C4'-P-C4' energy: -145.045 flat angles P-C4'-P energy: -88.568 tors. eta vs tors. theta energy: -182.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1923.474389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.474389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.474389 (E_RNA) where: Base-Base interactions energy: -1269.457 where: short stacking energy: -543.725 Base-Backbone interact. energy: -2.914 local terms energy: -651.103616 where: bonds (distance) C4'-P energy: -120.792 bonds (distance) P-C4' energy: -152.157 flat angles C4'-P-C4' energy: -135.320 flat angles P-C4'-P energy: -93.569 tors. eta vs tors. theta energy: -149.265 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: 7, replica: 6 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1929.288108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.288108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.288108 (E_RNA) where: Base-Base interactions energy: -1334.401 where: short stacking energy: -547.570 Base-Backbone interact. energy: 13.059 local terms energy: -607.946271 where: bonds (distance) C4'-P energy: -145.821 bonds (distance) P-C4' energy: -117.367 flat angles C4'-P-C4' energy: -134.601 flat angles P-C4'-P energy: -83.472 tors. eta vs tors. theta energy: -126.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1524.683744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.683744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.683744 (E_RNA) where: Base-Base interactions energy: -1011.825 where: short stacking energy: -461.586 Base-Backbone interact. energy: -0.190 local terms energy: -512.669048 where: bonds (distance) C4'-P energy: -104.733 bonds (distance) P-C4' energy: -130.182 flat angles C4'-P-C4' energy: -121.822 flat angles P-C4'-P energy: -57.578 tors. eta vs tors. theta energy: -98.353 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: 5 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1052.639050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.639050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.639050 (E_RNA) where: Base-Base interactions energy: -589.744 where: short stacking energy: -308.208 Base-Backbone interact. energy: -2.113 local terms energy: -460.782138 where: bonds (distance) C4'-P energy: -117.863 bonds (distance) P-C4' energy: -117.141 flat angles C4'-P-C4' energy: -127.147 flat angles P-C4'-P energy: -60.844 tors. eta vs tors. theta energy: -37.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -1004.116147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.116147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.116147 (E_RNA) where: Base-Base interactions energy: -582.114 where: short stacking energy: -272.980 Base-Backbone interact. energy: -2.570 local terms energy: -419.432697 where: bonds (distance) C4'-P energy: -124.399 bonds (distance) P-C4' energy: -107.583 flat angles C4'-P-C4' energy: -110.688 flat angles P-C4'-P energy: -60.947 tors. eta vs tors. theta energy: -15.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2637.302398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.302398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.302398 (E_RNA) where: Base-Base interactions energy: -1824.004 where: short stacking energy: -765.846 Base-Backbone interact. energy: -4.590 local terms energy: -808.708827 where: bonds (distance) C4'-P energy: -155.385 bonds (distance) P-C4' energy: -140.627 flat angles C4'-P-C4' energy: -173.246 flat angles P-C4'-P energy: -108.190 tors. eta vs tors. theta energy: -231.260 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: 8 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2593.107396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.107396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.107396 (E_RNA) where: Base-Base interactions energy: -1794.526 where: short stacking energy: -755.450 Base-Backbone interact. energy: -2.616 local terms energy: -795.965369 where: bonds (distance) C4'-P energy: -157.715 bonds (distance) P-C4' energy: -134.629 flat angles C4'-P-C4' energy: -157.821 flat angles P-C4'-P energy: -118.765 tors. eta vs tors. theta energy: -227.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2425.386903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.386903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.386903 (E_RNA) where: Base-Base interactions energy: -1654.954 where: short stacking energy: -714.841 Base-Backbone interact. energy: 3.319 local terms energy: -773.751822 where: bonds (distance) C4'-P energy: -152.984 bonds (distance) P-C4' energy: -134.200 flat angles C4'-P-C4' energy: -167.172 flat angles P-C4'-P energy: -110.435 tors. eta vs tors. theta energy: -208.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2273.903608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.903608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.903608 (E_RNA) where: Base-Base interactions energy: -1542.241 where: short stacking energy: -693.994 Base-Backbone interact. energy: 0.119 local terms energy: -731.781231 where: bonds (distance) C4'-P energy: -129.101 bonds (distance) P-C4' energy: -137.495 flat angles C4'-P-C4' energy: -158.706 flat angles P-C4'-P energy: -97.692 tors. eta vs tors. theta energy: -208.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2152.634734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.634734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.634734 (E_RNA) where: Base-Base interactions energy: -1481.998 where: short stacking energy: -626.496 Base-Backbone interact. energy: -3.983 local terms energy: -666.653045 where: bonds (distance) C4'-P energy: -126.827 bonds (distance) P-C4' energy: -121.796 flat angles C4'-P-C4' energy: -147.254 flat angles P-C4'-P energy: -97.590 tors. eta vs tors. theta energy: -173.186 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: 10 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1936.335079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.335079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.335079 (E_RNA) where: Base-Base interactions energy: -1285.286 where: short stacking energy: -568.014 Base-Backbone interact. energy: -0.682 local terms energy: -650.367417 where: bonds (distance) C4'-P energy: -124.337 bonds (distance) P-C4' energy: -134.948 flat angles C4'-P-C4' energy: -146.456 flat angles P-C4'-P energy: -97.720 tors. eta vs tors. theta energy: -146.906 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: 7, replica: 6 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1915.313836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.313836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.313836 (E_RNA) where: Base-Base interactions energy: -1322.266 where: short stacking energy: -564.209 Base-Backbone interact. energy: -1.442 local terms energy: -591.606603 where: bonds (distance) C4'-P energy: -118.980 bonds (distance) P-C4' energy: -135.501 flat angles C4'-P-C4' energy: -127.105 flat angles P-C4'-P energy: -76.503 tors. eta vs tors. theta energy: -133.518 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: 2 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1552.981435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.981435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.981435 (E_RNA) where: Base-Base interactions energy: -980.624 where: short stacking energy: -439.167 Base-Backbone interact. energy: -3.136 local terms energy: -569.221590 where: bonds (distance) C4'-P energy: -139.841 bonds (distance) P-C4' energy: -129.798 flat angles C4'-P-C4' energy: -120.692 flat angles P-C4'-P energy: -85.909 tors. eta vs tors. theta energy: -92.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1043.779671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.779671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.779671 (E_RNA) where: Base-Base interactions energy: -607.382 where: short stacking energy: -317.473 Base-Backbone interact. energy: -1.442 local terms energy: -434.955745 where: bonds (distance) C4'-P energy: -104.450 bonds (distance) P-C4' energy: -117.912 flat angles C4'-P-C4' energy: -113.949 flat angles P-C4'-P energy: -72.229 tors. eta vs tors. theta energy: -26.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -993.178330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.178330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.178330 (E_RNA) where: Base-Base interactions energy: -565.920 where: short stacking energy: -285.737 Base-Backbone interact. energy: -0.662 local terms energy: -426.596386 where: bonds (distance) C4'-P energy: -126.521 bonds (distance) P-C4' energy: -110.106 flat angles C4'-P-C4' energy: -99.625 flat angles P-C4'-P energy: -68.503 tors. eta vs tors. theta energy: -21.841 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: 8 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2616.271737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.271737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.271737 (E_RNA) where: Base-Base interactions energy: -1828.137 where: short stacking energy: -763.555 Base-Backbone interact. energy: -1.550 local terms energy: -786.584789 where: bonds (distance) C4'-P energy: -125.061 bonds (distance) P-C4' energy: -152.854 flat angles C4'-P-C4' energy: -169.341 flat angles P-C4'-P energy: -117.664 tors. eta vs tors. theta energy: -221.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2552.853028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.853028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.853028 (E_RNA) where: Base-Base interactions energy: -1786.593 where: short stacking energy: -752.348 Base-Backbone interact. energy: 0.187 local terms energy: -766.447105 where: bonds (distance) C4'-P energy: -143.961 bonds (distance) P-C4' energy: -132.836 flat angles C4'-P-C4' energy: -156.971 flat angles P-C4'-P energy: -108.664 tors. eta vs tors. theta energy: -224.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2454.333015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.333015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.333015 (E_RNA) where: Base-Base interactions energy: -1713.159 where: short stacking energy: -707.780 Base-Backbone interact. energy: -2.706 local terms energy: -738.468286 where: bonds (distance) C4'-P energy: -146.270 bonds (distance) P-C4' energy: -140.656 flat angles C4'-P-C4' energy: -142.400 flat angles P-C4'-P energy: -102.295 tors. eta vs tors. theta energy: -206.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2205.588181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.588181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.588181 (E_RNA) where: Base-Base interactions energy: -1467.113 where: short stacking energy: -649.901 Base-Backbone interact. energy: 1.179 local terms energy: -739.653956 where: bonds (distance) C4'-P energy: -118.423 bonds (distance) P-C4' energy: -143.935 flat angles C4'-P-C4' energy: -177.652 flat angles P-C4'-P energy: -105.051 tors. eta vs tors. theta energy: -194.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2112.765780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.765780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.765780 (E_RNA) where: Base-Base interactions energy: -1430.526 where: short stacking energy: -601.275 Base-Backbone interact. energy: -1.541 local terms energy: -680.698482 where: bonds (distance) C4'-P energy: -142.110 bonds (distance) P-C4' energy: -130.469 flat angles C4'-P-C4' energy: -154.599 flat angles P-C4'-P energy: -93.770 tors. eta vs tors. theta energy: -159.749 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: 10 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1917.218727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.218727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.218727 (E_RNA) where: Base-Base interactions energy: -1304.118 where: short stacking energy: -556.169 Base-Backbone interact. energy: -3.206 local terms energy: -609.894566 where: bonds (distance) C4'-P energy: -101.171 bonds (distance) P-C4' energy: -130.476 flat angles C4'-P-C4' energy: -130.973 flat angles P-C4'-P energy: -104.943 tors. eta vs tors. theta energy: -142.331 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: 6 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1866.360277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.360277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.360277 (E_RNA) where: Base-Base interactions energy: -1265.062 where: short stacking energy: -543.794 Base-Backbone interact. energy: -2.927 local terms energy: -598.371831 where: bonds (distance) C4'-P energy: -129.539 bonds (distance) P-C4' energy: -118.187 flat angles C4'-P-C4' energy: -131.717 flat angles P-C4'-P energy: -83.375 tors. eta vs tors. theta energy: -135.554 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: 2 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1477.276622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.276622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.276622 (E_RNA) where: Base-Base interactions energy: -949.545 where: short stacking energy: -427.001 Base-Backbone interact. energy: 1.662 local terms energy: -529.393760 where: bonds (distance) C4'-P energy: -113.920 bonds (distance) P-C4' energy: -124.622 flat angles C4'-P-C4' energy: -133.707 flat angles P-C4'-P energy: -73.832 tors. eta vs tors. theta energy: -83.312 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: 5 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1110.755109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.755109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.755109 (E_RNA) where: Base-Base interactions energy: -633.385 where: short stacking energy: -288.065 Base-Backbone interact. energy: -4.970 local terms energy: -472.399789 where: bonds (distance) C4'-P energy: -118.807 bonds (distance) P-C4' energy: -132.846 flat angles C4'-P-C4' energy: -124.162 flat angles P-C4'-P energy: -85.115 tors. eta vs tors. theta energy: -11.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -1050.709397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.709397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.709397 (E_RNA) where: Base-Base interactions energy: -631.999 where: short stacking energy: -319.592 Base-Backbone interact. energy: -4.463 local terms energy: -414.246511 where: bonds (distance) C4'-P energy: -114.664 bonds (distance) P-C4' energy: -122.721 flat angles C4'-P-C4' energy: -101.494 flat angles P-C4'-P energy: -60.552 tors. eta vs tors. theta energy: -14.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2602.264102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.264102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.264102 (E_RNA) where: Base-Base interactions energy: -1795.496 where: short stacking energy: -763.873 Base-Backbone interact. energy: -5.606 local terms energy: -801.162659 where: bonds (distance) C4'-P energy: -149.525 bonds (distance) P-C4' energy: -139.991 flat angles C4'-P-C4' energy: -166.796 flat angles P-C4'-P energy: -112.778 tors. eta vs tors. theta energy: -232.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2598.701604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.701604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.701604 (E_RNA) where: Base-Base interactions energy: -1795.061 where: short stacking energy: -793.020 Base-Backbone interact. energy: -1.175 local terms energy: -802.465637 where: bonds (distance) C4'-P energy: -139.178 bonds (distance) P-C4' energy: -151.607 flat angles C4'-P-C4' energy: -169.920 flat angles P-C4'-P energy: -118.213 tors. eta vs tors. theta energy: -223.548 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: 1 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2436.635785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.635785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.635785 (E_RNA) where: Base-Base interactions energy: -1673.109 where: short stacking energy: -710.694 Base-Backbone interact. energy: -2.055 local terms energy: -761.471530 where: bonds (distance) C4'-P energy: -155.731 bonds (distance) P-C4' energy: -137.972 flat angles C4'-P-C4' energy: -157.123 flat angles P-C4'-P energy: -102.334 tors. eta vs tors. theta energy: -208.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2243.593227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.593227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.593227 (E_RNA) where: Base-Base interactions energy: -1558.056 where: short stacking energy: -688.113 Base-Backbone interact. energy: -4.814 local terms energy: -680.722687 where: bonds (distance) C4'-P energy: -114.174 bonds (distance) P-C4' energy: -130.979 flat angles C4'-P-C4' energy: -152.398 flat angles P-C4'-P energy: -92.743 tors. eta vs tors. theta energy: -190.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2165.406921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.406921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.406921 (E_RNA) where: Base-Base interactions energy: -1489.029 where: short stacking energy: -612.107 Base-Backbone interact. energy: -2.413 local terms energy: -673.964903 where: bonds (distance) C4'-P energy: -132.488 bonds (distance) P-C4' energy: -124.089 flat angles C4'-P-C4' energy: -156.511 flat angles P-C4'-P energy: -98.771 tors. eta vs tors. theta energy: -162.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1996.022569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.022569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.022569 (E_RNA) where: Base-Base interactions energy: -1339.312 where: short stacking energy: -568.420 Base-Backbone interact. energy: 2.109 local terms energy: -658.818889 where: bonds (distance) C4'-P energy: -120.258 bonds (distance) P-C4' energy: -137.487 flat angles C4'-P-C4' energy: -151.107 flat angles P-C4'-P energy: -101.410 tors. eta vs tors. theta energy: -148.557 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: 7, replica: 10 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1824.588136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.588136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.588136 (E_RNA) where: Base-Base interactions energy: -1224.242 where: short stacking energy: -519.848 Base-Backbone interact. energy: -2.346 local terms energy: -597.999899 where: bonds (distance) C4'-P energy: -118.240 bonds (distance) P-C4' energy: -131.149 flat angles C4'-P-C4' energy: -131.525 flat angles P-C4'-P energy: -73.066 tors. eta vs tors. theta energy: -144.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1487.162097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.162097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.162097 (E_RNA) where: Base-Base interactions energy: -957.536 where: short stacking energy: -411.381 Base-Backbone interact. energy: -1.625 local terms energy: -528.000447 where: bonds (distance) C4'-P energy: -123.684 bonds (distance) P-C4' energy: -129.732 flat angles C4'-P-C4' energy: -122.787 flat angles P-C4'-P energy: -85.019 tors. eta vs tors. theta energy: -66.779 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: 5 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1010.698974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.698974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.698974 (E_RNA) where: Base-Base interactions energy: -564.651 where: short stacking energy: -294.089 Base-Backbone interact. energy: -0.211 local terms energy: -445.836040 where: bonds (distance) C4'-P energy: -115.508 bonds (distance) P-C4' energy: -134.631 flat angles C4'-P-C4' energy: -110.919 flat angles P-C4'-P energy: -62.721 tors. eta vs tors. theta energy: -22.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -1065.316344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.316344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.316344 (E_RNA) where: Base-Base interactions energy: -594.456 where: short stacking energy: -291.985 Base-Backbone interact. energy: -0.380 local terms energy: -470.480718 where: bonds (distance) C4'-P energy: -106.721 bonds (distance) P-C4' energy: -136.605 flat angles C4'-P-C4' energy: -116.928 flat angles P-C4'-P energy: -75.817 tors. eta vs tors. theta energy: -34.410 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: 4 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2633.428298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.428298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.428298 (E_RNA) where: Base-Base interactions energy: -1808.456 where: short stacking energy: -758.308 Base-Backbone interact. energy: -4.791 local terms energy: -820.180850 where: bonds (distance) C4'-P energy: -144.423 bonds (distance) P-C4' energy: -148.280 flat angles C4'-P-C4' energy: -179.669 flat angles P-C4'-P energy: -125.388 tors. eta vs tors. theta energy: -222.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2559.086944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.086944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.086944 (E_RNA) where: Base-Base interactions energy: -1747.353 where: short stacking energy: -764.724 Base-Backbone interact. energy: -2.698 local terms energy: -809.035514 where: bonds (distance) C4'-P energy: -148.673 bonds (distance) P-C4' energy: -148.321 flat angles C4'-P-C4' energy: -177.806 flat angles P-C4'-P energy: -111.611 tors. eta vs tors. theta energy: -222.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2438.111837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.111837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.111837 (E_RNA) where: Base-Base interactions energy: -1693.166 where: short stacking energy: -722.304 Base-Backbone interact. energy: -3.245 local terms energy: -741.700211 where: bonds (distance) C4'-P energy: -139.479 bonds (distance) P-C4' energy: -145.221 flat angles C4'-P-C4' energy: -157.312 flat angles P-C4'-P energy: -98.165 tors. eta vs tors. theta energy: -201.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2264.436273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.436273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.436273 (E_RNA) where: Base-Base interactions energy: -1520.154 where: short stacking energy: -681.457 Base-Backbone interact. energy: -0.197 local terms energy: -744.085471 where: bonds (distance) C4'-P energy: -145.560 bonds (distance) P-C4' energy: -135.907 flat angles C4'-P-C4' energy: -163.763 flat angles P-C4'-P energy: -103.072 tors. eta vs tors. theta energy: -195.784 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: 5, replica: 3 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2145.785831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.785831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.785831 (E_RNA) where: Base-Base interactions energy: -1434.679 where: short stacking energy: -621.590 Base-Backbone interact. energy: 1.074 local terms energy: -712.180398 where: bonds (distance) C4'-P energy: -130.907 bonds (distance) P-C4' energy: -144.407 flat angles C4'-P-C4' energy: -156.333 flat angles P-C4'-P energy: -104.549 tors. eta vs tors. theta energy: -175.983 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: 6, replica: 6 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1918.848464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.848464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.848464 (E_RNA) where: Base-Base interactions energy: -1299.938 where: short stacking energy: -555.648 Base-Backbone interact. energy: -1.270 local terms energy: -617.640299 where: bonds (distance) C4'-P energy: -111.725 bonds (distance) P-C4' energy: -124.994 flat angles C4'-P-C4' energy: -147.260 flat angles P-C4'-P energy: -85.429 tors. eta vs tors. theta energy: -148.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1808.374599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.374599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.374599 (E_RNA) where: Base-Base interactions energy: -1203.441 where: short stacking energy: -534.826 Base-Backbone interact. energy: 1.339 local terms energy: -606.272770 where: bonds (distance) C4'-P energy: -131.482 bonds (distance) P-C4' energy: -127.112 flat angles C4'-P-C4' energy: -137.128 flat angles P-C4'-P energy: -78.688 tors. eta vs tors. theta energy: -131.862 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: 2 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1511.343920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.343920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.343920 (E_RNA) where: Base-Base interactions energy: -970.372 where: short stacking energy: -413.205 Base-Backbone interact. energy: -4.326 local terms energy: -536.646484 where: bonds (distance) C4'-P energy: -119.541 bonds (distance) P-C4' energy: -128.741 flat angles C4'-P-C4' energy: -122.167 flat angles P-C4'-P energy: -84.679 tors. eta vs tors. theta energy: -81.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1062.867154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.867154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.867154 (E_RNA) where: Base-Base interactions energy: -611.090 where: short stacking energy: -299.709 Base-Backbone interact. energy: -3.568 local terms energy: -448.209569 where: bonds (distance) C4'-P energy: -115.662 bonds (distance) P-C4' energy: -123.120 flat angles C4'-P-C4' energy: -126.899 flat angles P-C4'-P energy: -57.626 tors. eta vs tors. theta energy: -24.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -981.022153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.022153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.022153 (E_RNA) where: Base-Base interactions energy: -560.484 where: short stacking energy: -282.812 Base-Backbone interact. energy: 2.608 local terms energy: -423.146562 where: bonds (distance) C4'-P energy: -103.374 bonds (distance) P-C4' energy: -126.603 flat angles C4'-P-C4' energy: -101.332 flat angles P-C4'-P energy: -54.979 tors. eta vs tors. theta energy: -36.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2644.113169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.113169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.113169 (E_RNA) where: Base-Base interactions energy: -1816.661 where: short stacking energy: -762.627 Base-Backbone interact. energy: -2.622 local terms energy: -824.830488 where: bonds (distance) C4'-P energy: -146.696 bonds (distance) P-C4' energy: -154.348 flat angles C4'-P-C4' energy: -173.566 flat angles P-C4'-P energy: -128.545 tors. eta vs tors. theta energy: -221.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2576.794927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.794927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.794927 (E_RNA) where: Base-Base interactions energy: -1774.591 where: short stacking energy: -751.629 Base-Backbone interact. energy: 0.788 local terms energy: -802.992377 where: bonds (distance) C4'-P energy: -143.448 bonds (distance) P-C4' energy: -151.064 flat angles C4'-P-C4' energy: -166.991 flat angles P-C4'-P energy: -113.128 tors. eta vs tors. theta energy: -228.361 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: 1 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2463.198839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.198839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.198839 (E_RNA) where: Base-Base interactions energy: -1690.238 where: short stacking energy: -731.994 Base-Backbone interact. energy: 1.117 local terms energy: -774.077628 where: bonds (distance) C4'-P energy: -134.096 bonds (distance) P-C4' energy: -148.605 flat angles C4'-P-C4' energy: -168.040 flat angles P-C4'-P energy: -111.840 tors. eta vs tors. theta energy: -211.496 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: 393 Temperature: 1.050000 Total energy: -2147.137411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.137411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.137411 (E_RNA) where: Base-Base interactions energy: -1423.292 where: short stacking energy: -631.320 Base-Backbone interact. energy: 1.311 local terms energy: -725.156529 where: bonds (distance) C4'-P energy: -149.821 bonds (distance) P-C4' energy: -158.018 flat angles C4'-P-C4' energy: -155.746 flat angles P-C4'-P energy: -101.641 tors. eta vs tors. theta energy: -159.931 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: 7 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2141.447111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.447111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.447111 (E_RNA) where: Base-Base interactions energy: -1459.428 where: short stacking energy: -629.633 Base-Backbone interact. energy: 1.108 local terms energy: -683.127017 where: bonds (distance) C4'-P energy: -130.214 bonds (distance) P-C4' energy: -135.460 flat angles C4'-P-C4' energy: -156.236 flat angles P-C4'-P energy: -87.688 tors. eta vs tors. theta energy: -173.530 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: 6 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1969.801624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.801624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.801624 (E_RNA) where: Base-Base interactions energy: -1306.835 where: short stacking energy: -589.280 Base-Backbone interact. energy: -1.659 local terms energy: -661.307699 where: bonds (distance) C4'-P energy: -117.928 bonds (distance) P-C4' energy: -149.291 flat angles C4'-P-C4' energy: -149.523 flat angles P-C4'-P energy: -89.320 tors. eta vs tors. theta energy: -155.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1853.753792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.753792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.753792 (E_RNA) where: Base-Base interactions energy: -1238.984 where: short stacking energy: -573.460 Base-Backbone interact. energy: 0.612 local terms energy: -615.381790 where: bonds (distance) C4'-P energy: -123.003 bonds (distance) P-C4' energy: -140.296 flat angles C4'-P-C4' energy: -125.470 flat angles P-C4'-P energy: -76.485 tors. eta vs tors. theta energy: -150.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1530.685873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.685873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.685873 (E_RNA) where: Base-Base interactions energy: -985.228 where: short stacking energy: -466.343 Base-Backbone interact. energy: -3.494 local terms energy: -541.963842 where: bonds (distance) C4'-P energy: -101.525 bonds (distance) P-C4' energy: -122.852 flat angles C4'-P-C4' energy: -127.364 flat angles P-C4'-P energy: -92.937 tors. eta vs tors. theta energy: -97.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1095.586727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.586727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.586727 (E_RNA) where: Base-Base interactions energy: -668.429 where: short stacking energy: -335.473 Base-Backbone interact. energy: 2.578 local terms energy: -429.735363 where: bonds (distance) C4'-P energy: -113.640 bonds (distance) P-C4' energy: -140.280 flat angles C4'-P-C4' energy: -95.361 flat angles P-C4'-P energy: -64.831 tors. eta vs tors. theta energy: -15.624 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: 5 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -987.723673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.723673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.723673 (E_RNA) where: Base-Base interactions energy: -556.436 where: short stacking energy: -289.979 Base-Backbone interact. energy: -2.431 local terms energy: -428.856306 where: bonds (distance) C4'-P energy: -103.684 bonds (distance) P-C4' energy: -115.813 flat angles C4'-P-C4' energy: -114.261 flat angles P-C4'-P energy: -72.125 tors. eta vs tors. theta energy: -22.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2642.323283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.323283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.323283 (E_RNA) where: Base-Base interactions energy: -1825.980 where: short stacking energy: -768.521 Base-Backbone interact. energy: -4.160 local terms energy: -812.182611 where: bonds (distance) C4'-P energy: -161.350 bonds (distance) P-C4' energy: -142.955 flat angles C4'-P-C4' energy: -175.305 flat angles P-C4'-P energy: -110.809 tors. eta vs tors. theta energy: -221.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2584.095816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.095816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.095816 (E_RNA) where: Base-Base interactions energy: -1776.750 where: short stacking energy: -775.465 Base-Backbone interact. energy: -1.126 local terms energy: -806.219506 where: bonds (distance) C4'-P energy: -130.439 bonds (distance) P-C4' energy: -164.202 flat angles C4'-P-C4' energy: -164.602 flat angles P-C4'-P energy: -118.372 tors. eta vs tors. theta energy: -228.604 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: 1 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2407.917803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.917803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.917803 (E_RNA) where: Base-Base interactions energy: -1632.708 where: short stacking energy: -722.776 Base-Backbone interact. energy: 0.550 local terms energy: -775.759065 where: bonds (distance) C4'-P energy: -138.040 bonds (distance) P-C4' energy: -153.166 flat angles C4'-P-C4' energy: -170.745 flat angles P-C4'-P energy: -95.549 tors. eta vs tors. theta energy: -218.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2197.551528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.551528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.551528 (E_RNA) where: Base-Base interactions energy: -1495.769 where: short stacking energy: -639.241 Base-Backbone interact. energy: 1.089 local terms energy: -702.872151 where: bonds (distance) C4'-P energy: -134.595 bonds (distance) P-C4' energy: -127.610 flat angles C4'-P-C4' energy: -160.494 flat angles P-C4'-P energy: -101.385 tors. eta vs tors. theta energy: -178.788 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: 7 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2144.859903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.859903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.859903 (E_RNA) where: Base-Base interactions energy: -1495.700 where: short stacking energy: -636.870 Base-Backbone interact. energy: -1.571 local terms energy: -647.588833 where: bonds (distance) C4'-P energy: -123.972 bonds (distance) P-C4' energy: -119.861 flat angles C4'-P-C4' energy: -138.692 flat angles P-C4'-P energy: -95.224 tors. eta vs tors. theta energy: -169.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2025.280103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.280103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.280103 (E_RNA) where: Base-Base interactions energy: -1384.982 where: short stacking energy: -598.310 Base-Backbone interact. energy: -0.639 local terms energy: -639.659020 where: bonds (distance) C4'-P energy: -123.522 bonds (distance) P-C4' energy: -131.617 flat angles C4'-P-C4' energy: -136.101 flat angles P-C4'-P energy: -88.588 tors. eta vs tors. theta energy: -159.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1896.274719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.274719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.274719 (E_RNA) where: Base-Base interactions energy: -1284.688 where: short stacking energy: -559.535 Base-Backbone interact. energy: -4.025 local terms energy: -607.561196 where: bonds (distance) C4'-P energy: -126.710 bonds (distance) P-C4' energy: -128.834 flat angles C4'-P-C4' energy: -136.704 flat angles P-C4'-P energy: -67.713 tors. eta vs tors. theta energy: -147.600 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: 2 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1523.616675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.616675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.616675 (E_RNA) where: Base-Base interactions energy: -975.919 where: short stacking energy: -443.096 Base-Backbone interact. energy: -0.568 local terms energy: -547.129620 where: bonds (distance) C4'-P energy: -110.002 bonds (distance) P-C4' energy: -120.542 flat angles C4'-P-C4' energy: -128.273 flat angles P-C4'-P energy: -83.592 tors. eta vs tors. theta energy: -104.721 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: 9, replica: 9 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1194.458428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.458428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.458428 (E_RNA) where: Base-Base interactions energy: -738.194 where: short stacking energy: -333.630 Base-Backbone interact. energy: -2.807 local terms energy: -453.457332 where: bonds (distance) C4'-P energy: -123.347 bonds (distance) P-C4' energy: -120.763 flat angles C4'-P-C4' energy: -115.067 flat angles P-C4'-P energy: -62.376 tors. eta vs tors. theta energy: -31.905 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: 5 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -923.417234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.417234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.417234 (E_RNA) where: Base-Base interactions energy: -520.981 where: short stacking energy: -260.489 Base-Backbone interact. energy: -3.797 local terms energy: -398.638924 where: bonds (distance) C4'-P energy: -115.858 bonds (distance) P-C4' energy: -113.145 flat angles C4'-P-C4' energy: -109.215 flat angles P-C4'-P energy: -64.802 tors. eta vs tors. theta energy: 4.381 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: 4 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2644.217733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.217733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.217733 (E_RNA) where: Base-Base interactions energy: -1833.262 where: short stacking energy: -778.562 Base-Backbone interact. energy: -3.698 local terms energy: -807.258082 where: bonds (distance) C4'-P energy: -137.078 bonds (distance) P-C4' energy: -143.399 flat angles C4'-P-C4' energy: -184.301 flat angles P-C4'-P energy: -112.950 tors. eta vs tors. theta energy: -229.530 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: 2, replica: 8 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2542.098485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.098485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.098485 (E_RNA) where: Base-Base interactions energy: -1759.089 where: short stacking energy: -742.116 Base-Backbone interact. energy: -3.426 local terms energy: -779.583631 where: bonds (distance) C4'-P energy: -155.779 bonds (distance) P-C4' energy: -136.071 flat angles C4'-P-C4' energy: -163.493 flat angles P-C4'-P energy: -119.408 tors. eta vs tors. theta energy: -204.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2452.258247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.258247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.258247 (E_RNA) where: Base-Base interactions energy: -1674.183 where: short stacking energy: -731.942 Base-Backbone interact. energy: -2.269 local terms energy: -775.806197 where: bonds (distance) C4'-P energy: -124.017 bonds (distance) P-C4' energy: -147.403 flat angles C4'-P-C4' energy: -167.238 flat angles P-C4'-P energy: -117.576 tors. eta vs tors. theta energy: -219.572 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: 4, replica: 3 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2212.961734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.961734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.961734 (E_RNA) where: Base-Base interactions energy: -1503.416 where: short stacking energy: -649.630 Base-Backbone interact. energy: -2.008 local terms energy: -707.538112 where: bonds (distance) C4'-P energy: -132.084 bonds (distance) P-C4' energy: -124.550 flat angles C4'-P-C4' energy: -157.486 flat angles P-C4'-P energy: -113.762 tors. eta vs tors. theta energy: -179.656 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: 7 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2204.259670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.259670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.259670 (E_RNA) where: Base-Base interactions energy: -1498.421 where: short stacking energy: -661.602 Base-Backbone interact. energy: 0.059 local terms energy: -705.897621 where: bonds (distance) C4'-P energy: -119.249 bonds (distance) P-C4' energy: -140.337 flat angles C4'-P-C4' energy: -161.050 flat angles P-C4'-P energy: -94.151 tors. eta vs tors. theta energy: -191.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2010.452703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.452703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.452703 (E_RNA) where: Base-Base interactions energy: -1346.041 where: short stacking energy: -603.756 Base-Backbone interact. energy: -1.805 local terms energy: -662.606643 where: bonds (distance) C4'-P energy: -122.791 bonds (distance) P-C4' energy: -143.310 flat angles C4'-P-C4' energy: -137.773 flat angles P-C4'-P energy: -89.548 tors. eta vs tors. theta energy: -169.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1909.395948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.395948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.395948 (E_RNA) where: Base-Base interactions energy: -1308.487 where: short stacking energy: -530.897 Base-Backbone interact. energy: -1.566 local terms energy: -599.342889 where: bonds (distance) C4'-P energy: -129.444 bonds (distance) P-C4' energy: -115.682 flat angles C4'-P-C4' energy: -136.482 flat angles P-C4'-P energy: -88.189 tors. eta vs tors. theta energy: -129.546 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: 2 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1442.430222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.430222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.430222 (E_RNA) where: Base-Base interactions energy: -935.677 where: short stacking energy: -422.087 Base-Backbone interact. energy: -2.195 local terms energy: -504.558407 where: bonds (distance) C4'-P energy: -96.514 bonds (distance) P-C4' energy: -124.997 flat angles C4'-P-C4' energy: -134.179 flat angles P-C4'-P energy: -67.283 tors. eta vs tors. theta energy: -81.585 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: 395 Temperature: 1.300000 Total energy: -1258.151755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.151755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.151755 (E_RNA) where: Base-Base interactions energy: -779.110 where: short stacking energy: -341.564 Base-Backbone interact. energy: 1.951 local terms energy: -480.993237 where: bonds (distance) C4'-P energy: -126.920 bonds (distance) P-C4' energy: -137.238 flat angles C4'-P-C4' energy: -129.209 flat angles P-C4'-P energy: -45.452 tors. eta vs tors. theta energy: -42.173 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: 10, replica: 5 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -904.074914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.074914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.074914 (E_RNA) where: Base-Base interactions energy: -482.956 where: short stacking energy: -248.151 Base-Backbone interact. energy: 1.646 local terms energy: -422.764610 where: bonds (distance) C4'-P energy: -124.188 bonds (distance) P-C4' energy: -124.141 flat angles C4'-P-C4' energy: -93.161 flat angles P-C4'-P energy: -65.640 tors. eta vs tors. theta energy: -15.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2627.820329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.820329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.820329 (E_RNA) where: Base-Base interactions energy: -1815.082 where: short stacking energy: -773.347 Base-Backbone interact. energy: -0.957 local terms energy: -811.780893 where: bonds (distance) C4'-P energy: -148.395 bonds (distance) P-C4' energy: -146.285 flat angles C4'-P-C4' energy: -169.493 flat angles P-C4'-P energy: -119.679 tors. eta vs tors. theta energy: -227.928 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: 8 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2556.458544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.458544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.458544 (E_RNA) where: Base-Base interactions energy: -1758.362 where: short stacking energy: -757.782 Base-Backbone interact. energy: -3.957 local terms energy: -794.140438 where: bonds (distance) C4'-P energy: -142.195 bonds (distance) P-C4' energy: -147.707 flat angles C4'-P-C4' energy: -170.480 flat angles P-C4'-P energy: -112.638 tors. eta vs tors. theta energy: -221.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2427.546021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.546021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.546021 (E_RNA) where: Base-Base interactions energy: -1660.963 where: short stacking energy: -719.746 Base-Backbone interact. energy: 0.843 local terms energy: -767.425686 where: bonds (distance) C4'-P energy: -141.239 bonds (distance) P-C4' energy: -148.531 flat angles C4'-P-C4' energy: -163.584 flat angles P-C4'-P energy: -101.118 tors. eta vs tors. theta energy: -212.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2185.712500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.712500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.712500 (E_RNA) where: Base-Base interactions energy: -1484.138 where: short stacking energy: -633.783 Base-Backbone interact. energy: -1.863 local terms energy: -699.711729 where: bonds (distance) C4'-P energy: -120.724 bonds (distance) P-C4' energy: -141.623 flat angles C4'-P-C4' energy: -158.418 flat angles P-C4'-P energy: -97.368 tors. eta vs tors. theta energy: -181.578 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: 7 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2218.466872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.466872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.466872 (E_RNA) where: Base-Base interactions energy: -1514.878 where: short stacking energy: -669.008 Base-Backbone interact. energy: -1.946 local terms energy: -701.642440 where: bonds (distance) C4'-P energy: -135.091 bonds (distance) P-C4' energy: -138.256 flat angles C4'-P-C4' energy: -150.186 flat angles P-C4'-P energy: -89.812 tors. eta vs tors. theta energy: -188.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2015.620923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.620923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.620923 (E_RNA) where: Base-Base interactions energy: -1402.573 where: short stacking energy: -613.611 Base-Backbone interact. energy: 1.075 local terms energy: -614.122732 where: bonds (distance) C4'-P energy: -115.272 bonds (distance) P-C4' energy: -144.361 flat angles C4'-P-C4' energy: -131.927 flat angles P-C4'-P energy: -83.277 tors. eta vs tors. theta energy: -139.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1906.272293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.272293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.272293 (E_RNA) where: Base-Base interactions energy: -1308.827 where: short stacking energy: -562.344 Base-Backbone interact. energy: 1.770 local terms energy: -599.215078 where: bonds (distance) C4'-P energy: -106.494 bonds (distance) P-C4' energy: -113.647 flat angles C4'-P-C4' energy: -137.169 flat angles P-C4'-P energy: -88.255 tors. eta vs tors. theta energy: -153.650 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: 8, replica: 2 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1497.338469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.338469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.338469 (E_RNA) where: Base-Base interactions energy: -956.530 where: short stacking energy: -431.392 Base-Backbone interact. energy: 1.736 local terms energy: -542.544838 where: bonds (distance) C4'-P energy: -124.963 bonds (distance) P-C4' energy: -124.119 flat angles C4'-P-C4' energy: -128.137 flat angles P-C4'-P energy: -80.045 tors. eta vs tors. theta energy: -85.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1255.280781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.280781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.280781 (E_RNA) where: Base-Base interactions energy: -773.109 where: short stacking energy: -370.337 Base-Backbone interact. energy: -0.335 local terms energy: -481.836821 where: bonds (distance) C4'-P energy: -112.170 bonds (distance) P-C4' energy: -130.655 flat angles C4'-P-C4' energy: -119.271 flat angles P-C4'-P energy: -68.488 tors. eta vs tors. theta energy: -51.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -898.290195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.290195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.290195 (E_RNA) where: Base-Base interactions energy: -487.233 where: short stacking energy: -264.362 Base-Backbone interact. energy: -2.856 local terms energy: -408.201390 where: bonds (distance) C4'-P energy: -118.125 bonds (distance) P-C4' energy: -116.937 flat angles C4'-P-C4' energy: -103.115 flat angles P-C4'-P energy: -49.543 tors. eta vs tors. theta energy: -20.481 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: 1, replica: 4 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2670.386494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.386494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.386494 (E_RNA) where: Base-Base interactions energy: -1857.843 where: short stacking energy: -779.087 Base-Backbone interact. energy: 0.421 local terms energy: -812.963929 where: bonds (distance) C4'-P energy: -149.559 bonds (distance) P-C4' energy: -157.478 flat angles C4'-P-C4' energy: -159.897 flat angles P-C4'-P energy: -112.299 tors. eta vs tors. theta energy: -233.732 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: 8 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2584.588913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.588913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.588913 (E_RNA) where: Base-Base interactions energy: -1833.684 where: short stacking energy: -788.536 Base-Backbone interact. energy: -3.977 local terms energy: -746.928174 where: bonds (distance) C4'-P energy: -137.859 bonds (distance) P-C4' energy: -137.246 flat angles C4'-P-C4' energy: -155.594 flat angles P-C4'-P energy: -92.279 tors. eta vs tors. theta energy: -223.949 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: 1 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2461.001400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.001400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.001400 (E_RNA) where: Base-Base interactions energy: -1693.829 where: short stacking energy: -739.940 Base-Backbone interact. energy: -2.347 local terms energy: -764.825528 where: bonds (distance) C4'-P energy: -147.062 bonds (distance) P-C4' energy: -123.304 flat angles C4'-P-C4' energy: -166.106 flat angles P-C4'-P energy: -101.418 tors. eta vs tors. theta energy: -226.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2234.283168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.283168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.283168 (E_RNA) where: Base-Base interactions energy: -1501.305 where: short stacking energy: -655.905 Base-Backbone interact. energy: -5.694 local terms energy: -727.283902 where: bonds (distance) C4'-P energy: -125.949 bonds (distance) P-C4' energy: -141.695 flat angles C4'-P-C4' energy: -166.861 flat angles P-C4'-P energy: -95.030 tors. eta vs tors. theta energy: -197.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2205.614340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.614340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.614340 (E_RNA) where: Base-Base interactions energy: -1476.647 where: short stacking energy: -648.486 Base-Backbone interact. energy: -1.708 local terms energy: -727.259022 where: bonds (distance) C4'-P energy: -133.982 bonds (distance) P-C4' energy: -140.534 flat angles C4'-P-C4' energy: -153.328 flat angles P-C4'-P energy: -113.052 tors. eta vs tors. theta energy: -186.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2007.034684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.034684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.034684 (E_RNA) where: Base-Base interactions energy: -1358.991 where: short stacking energy: -604.039 Base-Backbone interact. energy: 0.385 local terms energy: -648.428300 where: bonds (distance) C4'-P energy: -110.911 bonds (distance) P-C4' energy: -126.796 flat angles C4'-P-C4' energy: -159.118 flat angles P-C4'-P energy: -88.937 tors. eta vs tors. theta energy: -162.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1893.105780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.105780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.105780 (E_RNA) where: Base-Base interactions energy: -1281.284 where: short stacking energy: -530.857 Base-Backbone interact. energy: -0.181 local terms energy: -611.640284 where: bonds (distance) C4'-P energy: -147.259 bonds (distance) P-C4' energy: -108.950 flat angles C4'-P-C4' energy: -124.020 flat angles P-C4'-P energy: -89.029 tors. eta vs tors. theta energy: -142.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1516.137972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.137972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.137972 (E_RNA) where: Base-Base interactions energy: -979.040 where: short stacking energy: -433.349 Base-Backbone interact. energy: -0.152 local terms energy: -536.946119 where: bonds (distance) C4'-P energy: -124.603 bonds (distance) P-C4' energy: -117.800 flat angles C4'-P-C4' energy: -139.496 flat angles P-C4'-P energy: -65.944 tors. eta vs tors. theta energy: -89.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1330.449267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.449267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.449267 (E_RNA) where: Base-Base interactions energy: -863.265 where: short stacking energy: -370.288 Base-Backbone interact. energy: -2.576 local terms energy: -464.608314 where: bonds (distance) C4'-P energy: -101.987 bonds (distance) P-C4' energy: -121.121 flat angles C4'-P-C4' energy: -107.070 flat angles P-C4'-P energy: -69.296 tors. eta vs tors. theta energy: -65.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -885.731062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.731062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.731062 (E_RNA) where: Base-Base interactions energy: -503.325 where: short stacking energy: -263.909 Base-Backbone interact. energy: 1.261 local terms energy: -383.667874 where: bonds (distance) C4'-P energy: -92.563 bonds (distance) P-C4' energy: -119.693 flat angles C4'-P-C4' energy: -101.614 flat angles P-C4'-P energy: -60.084 tors. eta vs tors. theta energy: -9.715 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: 4 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2658.307585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.307585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.307585 (E_RNA) where: Base-Base interactions energy: -1847.883 where: short stacking energy: -783.966 Base-Backbone interact. energy: -4.918 local terms energy: -805.506408 where: bonds (distance) C4'-P energy: -144.649 bonds (distance) P-C4' energy: -148.286 flat angles C4'-P-C4' energy: -174.660 flat angles P-C4'-P energy: -105.218 tors. eta vs tors. theta energy: -232.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2556.094704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.094704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.094704 (E_RNA) where: Base-Base interactions energy: -1776.216 where: short stacking energy: -760.060 Base-Backbone interact. energy: -4.992 local terms energy: -774.886837 where: bonds (distance) C4'-P energy: -138.388 bonds (distance) P-C4' energy: -140.407 flat angles C4'-P-C4' energy: -166.463 flat angles P-C4'-P energy: -107.629 tors. eta vs tors. theta energy: -221.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2396.919650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.919650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.919650 (E_RNA) where: Base-Base interactions energy: -1638.505 where: short stacking energy: -729.433 Base-Backbone interact. energy: -2.131 local terms energy: -756.283876 where: bonds (distance) C4'-P energy: -139.125 bonds (distance) P-C4' energy: -140.180 flat angles C4'-P-C4' energy: -156.859 flat angles P-C4'-P energy: -102.781 tors. eta vs tors. theta energy: -217.338 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: 3 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2283.580845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.580845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.580845 (E_RNA) where: Base-Base interactions energy: -1554.586 where: short stacking energy: -672.241 Base-Backbone interact. energy: -0.005 local terms energy: -728.989858 where: bonds (distance) C4'-P energy: -137.991 bonds (distance) P-C4' energy: -149.313 flat angles C4'-P-C4' energy: -157.328 flat angles P-C4'-P energy: -96.400 tors. eta vs tors. theta energy: -187.958 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: 398 Temperature: 1.100000 Total energy: -2145.798343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.798343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.798343 (E_RNA) where: Base-Base interactions energy: -1446.393 where: short stacking energy: -644.209 Base-Backbone interact. energy: 3.220 local terms energy: -702.625751 where: bonds (distance) C4'-P energy: -125.098 bonds (distance) P-C4' energy: -123.675 flat angles C4'-P-C4' energy: -159.355 flat angles P-C4'-P energy: -112.356 tors. eta vs tors. theta energy: -182.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2016.592565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.592565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.592565 (E_RNA) where: Base-Base interactions energy: -1369.852 where: short stacking energy: -568.972 Base-Backbone interact. energy: -3.037 local terms energy: -643.702978 where: bonds (distance) C4'-P energy: -137.333 bonds (distance) P-C4' energy: -137.184 flat angles C4'-P-C4' energy: -131.364 flat angles P-C4'-P energy: -88.010 tors. eta vs tors. theta energy: -149.813 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: 398 Temperature: 1.200000 Total energy: -1895.532335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.532335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.532335 (E_RNA) where: Base-Base interactions energy: -1297.021 where: short stacking energy: -527.207 Base-Backbone interact. energy: -3.919 local terms energy: -594.592473 where: bonds (distance) C4'-P energy: -127.463 bonds (distance) P-C4' energy: -123.937 flat angles C4'-P-C4' energy: -125.584 flat angles P-C4'-P energy: -67.054 tors. eta vs tors. theta energy: -150.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1571.640514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.640514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.640514 (E_RNA) where: Base-Base interactions energy: -1034.049 where: short stacking energy: -439.732 Base-Backbone interact. energy: 1.324 local terms energy: -538.915417 where: bonds (distance) C4'-P energy: -119.330 bonds (distance) P-C4' energy: -117.818 flat angles C4'-P-C4' energy: -120.362 flat angles P-C4'-P energy: -77.766 tors. eta vs tors. theta energy: -103.639 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: 398 Temperature: 1.300000 Total energy: -1428.399019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.399019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.399019 (E_RNA) where: Base-Base interactions energy: -924.875 where: short stacking energy: -401.260 Base-Backbone interact. energy: -0.633 local terms energy: -502.890234 where: bonds (distance) C4'-P energy: -113.585 bonds (distance) P-C4' energy: -121.368 flat angles C4'-P-C4' energy: -121.364 flat angles P-C4'-P energy: -76.436 tors. eta vs tors. theta energy: -70.136 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: 5 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -910.279633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.279633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.279633 (E_RNA) where: Base-Base interactions energy: -492.006 where: short stacking energy: -276.241 Base-Backbone interact. energy: 2.753 local terms energy: -421.026570 where: bonds (distance) C4'-P energy: -107.082 bonds (distance) P-C4' energy: -146.364 flat angles C4'-P-C4' energy: -96.521 flat angles P-C4'-P energy: -57.746 tors. eta vs tors. theta energy: -13.313 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: 4 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2671.704882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.704882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.704882 (E_RNA) where: Base-Base interactions energy: -1844.088 where: short stacking energy: -760.290 Base-Backbone interact. energy: -3.941 local terms energy: -823.676605 where: bonds (distance) C4'-P energy: -142.134 bonds (distance) P-C4' energy: -167.124 flat angles C4'-P-C4' energy: -169.264 flat angles P-C4'-P energy: -120.684 tors. eta vs tors. theta energy: -224.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2554.649846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.649846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.649846 (E_RNA) where: Base-Base interactions energy: -1767.152 where: short stacking energy: -753.861 Base-Backbone interact. energy: -1.492 local terms energy: -786.006332 where: bonds (distance) C4'-P energy: -142.952 bonds (distance) P-C4' energy: -141.000 flat angles C4'-P-C4' energy: -172.226 flat angles P-C4'-P energy: -109.396 tors. eta vs tors. theta energy: -220.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2457.330362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.330362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.330362 (E_RNA) where: Base-Base interactions energy: -1711.091 where: short stacking energy: -733.658 Base-Backbone interact. energy: 7.540 local terms energy: -753.779615 where: bonds (distance) C4'-P energy: -133.999 bonds (distance) P-C4' energy: -130.669 flat angles C4'-P-C4' energy: -156.852 flat angles P-C4'-P energy: -121.241 tors. eta vs tors. theta energy: -211.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2224.437899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.437899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.437899 (E_RNA) where: Base-Base interactions energy: -1509.187 where: short stacking energy: -637.470 Base-Backbone interact. energy: 3.983 local terms energy: -719.233870 where: bonds (distance) C4'-P energy: -129.577 bonds (distance) P-C4' energy: -134.468 flat angles C4'-P-C4' energy: -156.801 flat angles P-C4'-P energy: -111.354 tors. eta vs tors. theta energy: -187.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2180.198439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.198439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.198439 (E_RNA) where: Base-Base interactions energy: -1481.570 where: short stacking energy: -662.788 Base-Backbone interact. energy: -2.736 local terms energy: -695.891800 where: bonds (distance) C4'-P energy: -136.885 bonds (distance) P-C4' energy: -126.116 flat angles C4'-P-C4' energy: -159.875 flat angles P-C4'-P energy: -82.546 tors. eta vs tors. theta energy: -190.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2029.348439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.348439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.348439 (E_RNA) where: Base-Base interactions energy: -1361.995 where: short stacking energy: -587.848 Base-Backbone interact. energy: -1.622 local terms energy: -665.732174 where: bonds (distance) C4'-P energy: -137.279 bonds (distance) P-C4' energy: -131.160 flat angles C4'-P-C4' energy: -160.199 flat angles P-C4'-P energy: -85.061 tors. eta vs tors. theta energy: -152.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1884.903582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.903582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.903582 (E_RNA) where: Base-Base interactions energy: -1264.292 where: short stacking energy: -544.501 Base-Backbone interact. energy: 2.372 local terms energy: -622.983621 where: bonds (distance) C4'-P energy: -119.938 bonds (distance) P-C4' energy: -144.157 flat angles C4'-P-C4' energy: -132.803 flat angles P-C4'-P energy: -80.997 tors. eta vs tors. theta energy: -145.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1517.102275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.102275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.102275 (E_RNA) where: Base-Base interactions energy: -1028.266 where: short stacking energy: -420.288 Base-Backbone interact. energy: -5.182 local terms energy: -483.654440 where: bonds (distance) C4'-P energy: -106.768 bonds (distance) P-C4' energy: -111.580 flat angles C4'-P-C4' energy: -121.869 flat angles P-C4'-P energy: -80.017 tors. eta vs tors. theta energy: -63.420 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: 9 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1475.624916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.624916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.624916 (E_RNA) where: Base-Base interactions energy: -981.697 where: short stacking energy: -450.643 Base-Backbone interact. energy: -1.953 local terms energy: -491.975535 where: bonds (distance) C4'-P energy: -104.888 bonds (distance) P-C4' energy: -113.161 flat angles C4'-P-C4' energy: -126.134 flat angles P-C4'-P energy: -64.471 tors. eta vs tors. theta energy: -83.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -923.452210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.452210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.452210 (E_RNA) where: Base-Base interactions energy: -472.742 where: short stacking energy: -243.815 Base-Backbone interact. energy: -2.303 local terms energy: -448.407044 where: bonds (distance) C4'-P energy: -115.191 bonds (distance) P-C4' energy: -132.647 flat angles C4'-P-C4' energy: -107.912 flat angles P-C4'-P energy: -77.622 tors. eta vs tors. theta energy: -15.036 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: 4 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2661.525495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.525495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.525495 (E_RNA) where: Base-Base interactions energy: -1848.763 where: short stacking energy: -783.918 Base-Backbone interact. energy: -2.795 local terms energy: -809.966776 where: bonds (distance) C4'-P energy: -135.467 bonds (distance) P-C4' energy: -155.307 flat angles C4'-P-C4' energy: -168.554 flat angles P-C4'-P energy: -115.754 tors. eta vs tors. theta energy: -234.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2561.911965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.911965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.911965 (E_RNA) where: Base-Base interactions energy: -1781.595 where: short stacking energy: -742.360 Base-Backbone interact. energy: -3.321 local terms energy: -776.996668 where: bonds (distance) C4'-P energy: -134.857 bonds (distance) P-C4' energy: -139.899 flat angles C4'-P-C4' energy: -164.058 flat angles P-C4'-P energy: -116.622 tors. eta vs tors. theta energy: -221.560 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: 1 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2496.121115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.121115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.121115 (E_RNA) where: Base-Base interactions energy: -1742.024 where: short stacking energy: -754.525 Base-Backbone interact. energy: 1.498 local terms energy: -755.595709 where: bonds (distance) C4'-P energy: -129.495 bonds (distance) P-C4' energy: -133.156 flat angles C4'-P-C4' energy: -167.377 flat angles P-C4'-P energy: -110.800 tors. eta vs tors. theta energy: -214.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2244.854701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.854701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.854701 (E_RNA) where: Base-Base interactions energy: -1545.583 where: short stacking energy: -652.220 Base-Backbone interact. energy: -2.292 local terms energy: -696.979381 where: bonds (distance) C4'-P energy: -138.178 bonds (distance) P-C4' energy: -111.990 flat angles C4'-P-C4' energy: -155.097 flat angles P-C4'-P energy: -111.562 tors. eta vs tors. theta energy: -180.152 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: 400 Temperature: 1.100000 Total energy: -2127.279309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.279309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.279309 (E_RNA) where: Base-Base interactions energy: -1423.936 where: short stacking energy: -624.545 Base-Backbone interact. energy: -2.524 local terms energy: -700.819310 where: bonds (distance) C4'-P energy: -132.959 bonds (distance) P-C4' energy: -144.273 flat angles C4'-P-C4' energy: -140.159 flat angles P-C4'-P energy: -95.404 tors. eta vs tors. theta energy: -188.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2018.603392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.603392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.603392 (E_RNA) where: Base-Base interactions energy: -1389.418 where: short stacking energy: -612.539 Base-Backbone interact. energy: 1.289 local terms energy: -630.474095 where: bonds (distance) C4'-P energy: -143.383 bonds (distance) P-C4' energy: -113.821 flat angles C4'-P-C4' energy: -131.442 flat angles P-C4'-P energy: -89.089 tors. eta vs tors. theta energy: -152.739 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: 10 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1868.981826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.981826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.981826 (E_RNA) where: Base-Base interactions energy: -1261.402 where: short stacking energy: -592.150 Base-Backbone interact. energy: 0.587 local terms energy: -608.167128 where: bonds (distance) C4'-P energy: -111.769 bonds (distance) P-C4' energy: -112.596 flat angles C4'-P-C4' energy: -144.798 flat angles P-C4'-P energy: -88.784 tors. eta vs tors. theta energy: -150.221 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: 2 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1502.991520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.991520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.991520 (E_RNA) where: Base-Base interactions energy: -944.898 where: short stacking energy: -438.714 Base-Backbone interact. energy: -3.127 local terms energy: -554.966782 where: bonds (distance) C4'-P energy: -130.608 bonds (distance) P-C4' energy: -121.615 flat angles C4'-P-C4' energy: -124.286 flat angles P-C4'-P energy: -82.269 tors. eta vs tors. theta energy: -96.188 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: 9 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1561.490551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.490551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.490551 (E_RNA) where: Base-Base interactions energy: -1019.334 where: short stacking energy: -435.661 Base-Backbone interact. energy: 2.746 local terms energy: -544.902453 where: bonds (distance) C4'-P energy: -113.988 bonds (distance) P-C4' energy: -114.935 flat angles C4'-P-C4' energy: -135.959 flat angles P-C4'-P energy: -88.202 tors. eta vs tors. theta energy: -91.817 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: 5 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -849.330351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.330351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.330351 (E_RNA) where: Base-Base interactions energy: -455.482 where: short stacking energy: -227.466 Base-Backbone interact. energy: -1.583 local terms energy: -392.265211 where: bonds (distance) C4'-P energy: -121.619 bonds (distance) P-C4' energy: -127.722 flat angles C4'-P-C4' energy: -83.125 flat angles P-C4'-P energy: -63.579 tors. eta vs tors. theta energy: 3.781 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: 4 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2674.533917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.533917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.533917 (E_RNA) where: Base-Base interactions energy: -1845.407 where: short stacking energy: -775.435 Base-Backbone interact. energy: -2.770 local terms energy: -826.357714 where: bonds (distance) C4'-P energy: -151.451 bonds (distance) P-C4' energy: -157.952 flat angles C4'-P-C4' energy: -162.500 flat angles P-C4'-P energy: -128.111 tors. eta vs tors. theta energy: -226.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2577.103782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.103782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.103782 (E_RNA) where: Base-Base interactions energy: -1774.469 where: short stacking energy: -756.612 Base-Backbone interact. energy: -1.524 local terms energy: -801.111009 where: bonds (distance) C4'-P energy: -140.400 bonds (distance) P-C4' energy: -158.895 flat angles C4'-P-C4' energy: -169.336 flat angles P-C4'-P energy: -118.774 tors. eta vs tors. theta energy: -213.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2479.912936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.912936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.912936 (E_RNA) where: Base-Base interactions energy: -1711.333 where: short stacking energy: -739.787 Base-Backbone interact. energy: -1.082 local terms energy: -767.497360 where: bonds (distance) C4'-P energy: -131.794 bonds (distance) P-C4' energy: -144.351 flat angles C4'-P-C4' energy: -168.262 flat angles P-C4'-P energy: -106.793 tors. eta vs tors. theta energy: -216.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2230.305003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.305003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.305003 (E_RNA) where: Base-Base interactions energy: -1538.690 where: short stacking energy: -654.733 Base-Backbone interact. energy: -6.225 local terms energy: -685.390293 where: bonds (distance) C4'-P energy: -115.435 bonds (distance) P-C4' energy: -140.741 flat angles C4'-P-C4' energy: -144.161 flat angles P-C4'-P energy: -107.053 tors. eta vs tors. theta energy: -178.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2099.894366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.894366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.894366 (E_RNA) where: Base-Base interactions energy: -1442.613 where: short stacking energy: -653.669 Base-Backbone interact. energy: -0.443 local terms energy: -656.838951 where: bonds (distance) C4'-P energy: -122.676 bonds (distance) P-C4' energy: -116.599 flat angles C4'-P-C4' energy: -149.651 flat angles P-C4'-P energy: -85.265 tors. eta vs tors. theta energy: -182.648 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: 6, replica: 6 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1952.548523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.548523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.548523 (E_RNA) where: Base-Base interactions energy: -1316.020 where: short stacking energy: -579.328 Base-Backbone interact. energy: -0.169 local terms energy: -636.360320 where: bonds (distance) C4'-P energy: -128.509 bonds (distance) P-C4' energy: -135.196 flat angles C4'-P-C4' energy: -133.892 flat angles P-C4'-P energy: -97.217 tors. eta vs tors. theta energy: -141.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1866.212514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.212514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.212514 (E_RNA) where: Base-Base interactions energy: -1273.524 where: short stacking energy: -509.624 Base-Backbone interact. energy: 0.720 local terms energy: -593.408054 where: bonds (distance) C4'-P energy: -114.160 bonds (distance) P-C4' energy: -124.066 flat angles C4'-P-C4' energy: -130.842 flat angles P-C4'-P energy: -78.510 tors. eta vs tors. theta energy: -145.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1584.276026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.276026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.276026 (E_RNA) where: Base-Base interactions energy: -1022.311 where: short stacking energy: -438.433 Base-Backbone interact. energy: 3.813 local terms energy: -565.777666 where: bonds (distance) C4'-P energy: -123.996 bonds (distance) P-C4' energy: -119.335 flat angles C4'-P-C4' energy: -140.223 flat angles P-C4'-P energy: -86.700 tors. eta vs tors. theta energy: -95.524 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: 2 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1426.364873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.364873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.364873 (E_RNA) where: Base-Base interactions energy: -914.511 where: short stacking energy: -423.486 Base-Backbone interact. energy: 8.353 local terms energy: -520.206626 where: bonds (distance) C4'-P energy: -109.062 bonds (distance) P-C4' energy: -123.524 flat angles C4'-P-C4' energy: -115.163 flat angles P-C4'-P energy: -85.931 tors. eta vs tors. theta energy: -86.527 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: 5 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -839.313644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.313644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.313644 (E_RNA) where: Base-Base interactions energy: -407.825 where: short stacking energy: -225.735 Base-Backbone interact. energy: 0.663 local terms energy: -432.152020 where: bonds (distance) C4'-P energy: -107.332 bonds (distance) P-C4' energy: -132.685 flat angles C4'-P-C4' energy: -124.286 flat angles P-C4'-P energy: -57.614 tors. eta vs tors. theta energy: -10.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2669.304893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.304893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.304893 (E_RNA) where: Base-Base interactions energy: -1847.555 where: short stacking energy: -805.288 Base-Backbone interact. energy: -2.663 local terms energy: -819.087786 where: bonds (distance) C4'-P energy: -142.748 bonds (distance) P-C4' energy: -155.669 flat angles C4'-P-C4' energy: -170.644 flat angles P-C4'-P energy: -118.146 tors. eta vs tors. theta energy: -231.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2536.616987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.616987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.616987 (E_RNA) where: Base-Base interactions energy: -1731.216 where: short stacking energy: -748.370 Base-Backbone interact. energy: -0.883 local terms energy: -804.517910 where: bonds (distance) C4'-P energy: -140.020 bonds (distance) P-C4' energy: -145.429 flat angles C4'-P-C4' energy: -173.317 flat angles P-C4'-P energy: -116.284 tors. eta vs tors. theta energy: -229.467 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: 1 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2464.244863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.244863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.244863 (E_RNA) where: Base-Base interactions energy: -1676.046 where: short stacking energy: -727.531 Base-Backbone interact. energy: -1.363 local terms energy: -786.836150 where: bonds (distance) C4'-P energy: -149.620 bonds (distance) P-C4' energy: -165.101 flat angles C4'-P-C4' energy: -161.541 flat angles P-C4'-P energy: -103.250 tors. eta vs tors. theta energy: -207.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2227.844244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.844244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.844244 (E_RNA) where: Base-Base interactions energy: -1513.861 where: short stacking energy: -656.018 Base-Backbone interact. energy: -1.138 local terms energy: -712.845068 where: bonds (distance) C4'-P energy: -130.214 bonds (distance) P-C4' energy: -142.155 flat angles C4'-P-C4' energy: -162.377 flat angles P-C4'-P energy: -93.563 tors. eta vs tors. theta energy: -184.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2184.554525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.554525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.554525 (E_RNA) where: Base-Base interactions energy: -1481.289 where: short stacking energy: -653.801 Base-Backbone interact. energy: -4.990 local terms energy: -698.275524 where: bonds (distance) C4'-P energy: -113.389 bonds (distance) P-C4' energy: -136.747 flat angles C4'-P-C4' energy: -167.080 flat angles P-C4'-P energy: -98.073 tors. eta vs tors. theta energy: -182.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1990.404358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.404358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.404358 (E_RNA) where: Base-Base interactions energy: -1355.592 where: short stacking energy: -615.365 Base-Backbone interact. energy: 6.204 local terms energy: -641.015710 where: bonds (distance) C4'-P energy: -128.601 bonds (distance) P-C4' energy: -128.100 flat angles C4'-P-C4' energy: -130.181 flat angles P-C4'-P energy: -92.178 tors. eta vs tors. theta energy: -161.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1889.613139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.613139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.613139 (E_RNA) where: Base-Base interactions energy: -1259.470 where: short stacking energy: -553.949 Base-Backbone interact. energy: -0.501 local terms energy: -629.641459 where: bonds (distance) C4'-P energy: -132.139 bonds (distance) P-C4' energy: -119.895 flat angles C4'-P-C4' energy: -130.011 flat angles P-C4'-P energy: -98.500 tors. eta vs tors. theta energy: -149.096 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: 8, replica: 9 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1639.888716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.888716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.888716 (E_RNA) where: Base-Base interactions energy: -1121.839 where: short stacking energy: -492.031 Base-Backbone interact. energy: -1.059 local terms energy: -516.990844 where: bonds (distance) C4'-P energy: -104.441 bonds (distance) P-C4' energy: -116.182 flat angles C4'-P-C4' energy: -120.432 flat angles P-C4'-P energy: -73.617 tors. eta vs tors. theta energy: -102.319 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: 2 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1375.693231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.693231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.693231 (E_RNA) where: Base-Base interactions energy: -881.725 where: short stacking energy: -389.594 Base-Backbone interact. energy: -0.545 local terms energy: -493.423883 where: bonds (distance) C4'-P energy: -113.789 bonds (distance) P-C4' energy: -117.548 flat angles C4'-P-C4' energy: -127.905 flat angles P-C4'-P energy: -72.505 tors. eta vs tors. theta energy: -61.676 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: 5 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -791.970832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.970832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.970832 (E_RNA) where: Base-Base interactions energy: -407.252 where: short stacking energy: -227.133 Base-Backbone interact. energy: 1.634 local terms energy: -386.352720 where: bonds (distance) C4'-P energy: -115.955 bonds (distance) P-C4' energy: -144.583 flat angles C4'-P-C4' energy: -91.117 flat angles P-C4'-P energy: -49.138 tors. eta vs tors. theta energy: 14.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2653.183037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.183037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.183037 (E_RNA) where: Base-Base interactions energy: -1852.658 where: short stacking energy: -779.429 Base-Backbone interact. energy: 1.166 local terms energy: -801.690638 where: bonds (distance) C4'-P energy: -150.641 bonds (distance) P-C4' energy: -145.614 flat angles C4'-P-C4' energy: -157.604 flat angles P-C4'-P energy: -112.818 tors. eta vs tors. theta energy: -235.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2567.528063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.528063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.528063 (E_RNA) where: Base-Base interactions energy: -1804.461 where: short stacking energy: -777.726 Base-Backbone interact. energy: -0.049 local terms energy: -763.018401 where: bonds (distance) C4'-P energy: -136.704 bonds (distance) P-C4' energy: -138.748 flat angles C4'-P-C4' energy: -163.916 flat angles P-C4'-P energy: -105.742 tors. eta vs tors. theta energy: -217.909 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: 1 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2444.094727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.094727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.094727 (E_RNA) where: Base-Base interactions energy: -1664.977 where: short stacking energy: -730.652 Base-Backbone interact. energy: -0.805 local terms energy: -778.312058 where: bonds (distance) C4'-P energy: -146.169 bonds (distance) P-C4' energy: -142.688 flat angles C4'-P-C4' energy: -169.684 flat angles P-C4'-P energy: -107.494 tors. eta vs tors. theta energy: -212.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2241.273947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.273947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.273947 (E_RNA) where: Base-Base interactions energy: -1543.677 where: short stacking energy: -661.201 Base-Backbone interact. energy: -3.025 local terms energy: -694.571379 where: bonds (distance) C4'-P energy: -135.178 bonds (distance) P-C4' energy: -111.409 flat angles C4'-P-C4' energy: -162.626 flat angles P-C4'-P energy: -107.954 tors. eta vs tors. theta energy: -177.404 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: 7 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2168.856929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.856929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.856929 (E_RNA) where: Base-Base interactions energy: -1474.714 where: short stacking energy: -660.893 Base-Backbone interact. energy: -3.881 local terms energy: -690.261978 where: bonds (distance) C4'-P energy: -117.332 bonds (distance) P-C4' energy: -129.590 flat angles C4'-P-C4' energy: -162.347 flat angles P-C4'-P energy: -83.045 tors. eta vs tors. theta energy: -197.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1916.471676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.471676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.471676 (E_RNA) where: Base-Base interactions energy: -1308.823 where: short stacking energy: -587.294 Base-Backbone interact. energy: 1.157 local terms energy: -608.805899 where: bonds (distance) C4'-P energy: -129.157 bonds (distance) P-C4' energy: -136.298 flat angles C4'-P-C4' energy: -138.577 flat angles P-C4'-P energy: -87.574 tors. eta vs tors. theta energy: -117.201 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: 10 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1891.364669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.364669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.364669 (E_RNA) where: Base-Base interactions energy: -1253.584 where: short stacking energy: -521.502 Base-Backbone interact. energy: 2.735 local terms energy: -640.515686 where: bonds (distance) C4'-P energy: -123.783 bonds (distance) P-C4' energy: -128.129 flat angles C4'-P-C4' energy: -147.256 flat angles P-C4'-P energy: -99.999 tors. eta vs tors. theta energy: -141.349 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: 9 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1712.528397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.528397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.528397 (E_RNA) where: Base-Base interactions energy: -1128.182 where: short stacking energy: -488.525 Base-Backbone interact. energy: 1.356 local terms energy: -585.702326 where: bonds (distance) C4'-P energy: -109.315 bonds (distance) P-C4' energy: -132.941 flat angles C4'-P-C4' energy: -124.832 flat angles P-C4'-P energy: -87.949 tors. eta vs tors. theta energy: -130.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1328.332102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.332102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.332102 (E_RNA) where: Base-Base interactions energy: -847.399 where: short stacking energy: -399.725 Base-Backbone interact. energy: -2.036 local terms energy: -478.897499 where: bonds (distance) C4'-P energy: -101.105 bonds (distance) P-C4' energy: -120.411 flat angles C4'-P-C4' energy: -113.884 flat angles P-C4'-P energy: -61.272 tors. eta vs tors. theta energy: -82.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -828.123532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.123532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.123532 (E_RNA) where: Base-Base interactions energy: -436.978 where: short stacking energy: -240.076 Base-Backbone interact. energy: 2.125 local terms energy: -393.270540 where: bonds (distance) C4'-P energy: -118.787 bonds (distance) P-C4' energy: -121.804 flat angles C4'-P-C4' energy: -114.608 flat angles P-C4'-P energy: -32.090 tors. eta vs tors. theta energy: -5.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2653.352815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.352815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.352815 (E_RNA) where: Base-Base interactions energy: -1857.782 where: short stacking energy: -802.486 Base-Backbone interact. energy: -5.920 local terms energy: -789.651100 where: bonds (distance) C4'-P energy: -132.376 bonds (distance) P-C4' energy: -128.806 flat angles C4'-P-C4' energy: -172.388 flat angles P-C4'-P energy: -110.964 tors. eta vs tors. theta energy: -245.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2550.533863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.533863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.533863 (E_RNA) where: Base-Base interactions energy: -1780.520 where: short stacking energy: -727.050 Base-Backbone interact. energy: -4.817 local terms energy: -765.196324 where: bonds (distance) C4'-P energy: -127.266 bonds (distance) P-C4' energy: -139.613 flat angles C4'-P-C4' energy: -164.198 flat angles P-C4'-P energy: -114.504 tors. eta vs tors. theta energy: -219.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2427.340914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.340914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.340914 (E_RNA) where: Base-Base interactions energy: -1682.069 where: short stacking energy: -722.811 Base-Backbone interact. energy: 1.126 local terms energy: -746.397609 where: bonds (distance) C4'-P energy: -137.407 bonds (distance) P-C4' energy: -127.901 flat angles C4'-P-C4' energy: -158.535 flat angles P-C4'-P energy: -104.532 tors. eta vs tors. theta energy: -218.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2214.059908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.059908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.059908 (E_RNA) where: Base-Base interactions energy: -1495.459 where: short stacking energy: -649.532 Base-Backbone interact. energy: -0.992 local terms energy: -717.609084 where: bonds (distance) C4'-P energy: -115.994 bonds (distance) P-C4' energy: -161.167 flat angles C4'-P-C4' energy: -152.222 flat angles P-C4'-P energy: -110.960 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: 5, replica: 7 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2126.127636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.127636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.127636 (E_RNA) where: Base-Base interactions energy: -1432.159 where: short stacking energy: -626.323 Base-Backbone interact. energy: -4.481 local terms energy: -689.487642 where: bonds (distance) C4'-P energy: -138.545 bonds (distance) P-C4' energy: -120.804 flat angles C4'-P-C4' energy: -152.570 flat angles P-C4'-P energy: -99.947 tors. eta vs tors. theta energy: -177.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2031.608865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.608865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.608865 (E_RNA) where: Base-Base interactions energy: -1393.248 where: short stacking energy: -602.638 Base-Backbone interact. energy: -2.296 local terms energy: -636.064834 where: bonds (distance) C4'-P energy: -113.557 bonds (distance) P-C4' energy: -141.649 flat angles C4'-P-C4' energy: -139.618 flat angles P-C4'-P energy: -79.122 tors. eta vs tors. theta energy: -162.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1811.419449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.419449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.419449 (E_RNA) where: Base-Base interactions energy: -1202.565 where: short stacking energy: -564.156 Base-Backbone interact. energy: -1.882 local terms energy: -606.972108 where: bonds (distance) C4'-P energy: -110.835 bonds (distance) P-C4' energy: -121.299 flat angles C4'-P-C4' energy: -126.140 flat angles P-C4'-P energy: -92.809 tors. eta vs tors. theta energy: -155.889 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: 10 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1787.161624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.161624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.161624 (E_RNA) where: Base-Base interactions energy: -1198.906 where: short stacking energy: -502.587 Base-Backbone interact. energy: -0.693 local terms energy: -587.561813 where: bonds (distance) C4'-P energy: -128.555 bonds (distance) P-C4' energy: -120.003 flat angles C4'-P-C4' energy: -136.328 flat angles P-C4'-P energy: -78.094 tors. eta vs tors. theta energy: -124.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1323.807464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.807464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.807464 (E_RNA) where: Base-Base interactions energy: -836.818 where: short stacking energy: -407.954 Base-Backbone interact. energy: 8.318 local terms energy: -495.307253 where: bonds (distance) C4'-P energy: -119.509 bonds (distance) P-C4' energy: -118.248 flat angles C4'-P-C4' energy: -121.347 flat angles P-C4'-P energy: -78.203 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: 10, replica: 5 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -812.959609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.959609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.959609 (E_RNA) where: Base-Base interactions energy: -399.512 where: short stacking energy: -233.957 Base-Backbone interact. energy: 0.554 local terms energy: -414.001358 where: bonds (distance) C4'-P energy: -127.672 bonds (distance) P-C4' energy: -117.500 flat angles C4'-P-C4' energy: -111.559 flat angles P-C4'-P energy: -63.807 tors. eta vs tors. theta energy: 6.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2635.703441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.703441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.703441 (E_RNA) where: Base-Base interactions energy: -1819.507 where: short stacking energy: -775.701 Base-Backbone interact. energy: 4.014 local terms energy: -820.210427 where: bonds (distance) C4'-P energy: -144.584 bonds (distance) P-C4' energy: -156.685 flat angles C4'-P-C4' energy: -169.711 flat angles P-C4'-P energy: -118.218 tors. eta vs tors. theta energy: -231.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2557.105400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.105400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.105400 (E_RNA) where: Base-Base interactions energy: -1759.293 where: short stacking energy: -745.800 Base-Backbone interact. energy: -3.606 local terms energy: -794.206436 where: bonds (distance) C4'-P energy: -147.882 bonds (distance) P-C4' energy: -145.944 flat angles C4'-P-C4' energy: -170.762 flat angles P-C4'-P energy: -115.699 tors. eta vs tors. theta energy: -213.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2495.440885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.440885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.440885 (E_RNA) where: Base-Base interactions energy: -1728.010 where: short stacking energy: -738.003 Base-Backbone interact. energy: -1.232 local terms energy: -766.198829 where: bonds (distance) C4'-P energy: -124.837 bonds (distance) P-C4' energy: -146.415 flat angles C4'-P-C4' energy: -161.414 flat angles P-C4'-P energy: -111.845 tors. eta vs tors. theta energy: -221.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2250.933634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.933634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.933634 (E_RNA) where: Base-Base interactions energy: -1547.865 where: short stacking energy: -676.220 Base-Backbone interact. energy: -3.916 local terms energy: -699.152238 where: bonds (distance) C4'-P energy: -138.350 bonds (distance) P-C4' energy: -138.763 flat angles C4'-P-C4' energy: -130.012 flat angles P-C4'-P energy: -99.812 tors. eta vs tors. theta energy: -192.214 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: 3 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2148.416592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.416592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.416592 (E_RNA) where: Base-Base interactions energy: -1437.174 where: short stacking energy: -652.861 Base-Backbone interact. energy: 1.000 local terms energy: -712.242831 where: bonds (distance) C4'-P energy: -123.898 bonds (distance) P-C4' energy: -143.634 flat angles C4'-P-C4' energy: -162.197 flat angles P-C4'-P energy: -108.018 tors. eta vs tors. theta energy: -174.496 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: 405 Temperature: 1.150000 Total energy: -2006.686940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.686940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.686940 (E_RNA) where: Base-Base interactions energy: -1345.155 where: short stacking energy: -597.299 Base-Backbone interact. energy: 0.404 local terms energy: -661.935749 where: bonds (distance) C4'-P energy: -115.112 bonds (distance) P-C4' energy: -144.876 flat angles C4'-P-C4' energy: -134.112 flat angles P-C4'-P energy: -102.085 tors. eta vs tors. theta energy: -165.751 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: 9 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1802.361104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.361104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.361104 (E_RNA) where: Base-Base interactions energy: -1204.609 where: short stacking energy: -503.874 Base-Backbone interact. energy: -1.122 local terms energy: -596.629932 where: bonds (distance) C4'-P energy: -136.033 bonds (distance) P-C4' energy: -133.016 flat angles C4'-P-C4' energy: -122.896 flat angles P-C4'-P energy: -85.759 tors. eta vs tors. theta energy: -118.926 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: 8, replica: 10 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1744.415642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.415642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.415642 (E_RNA) where: Base-Base interactions energy: -1142.926 where: short stacking energy: -462.254 Base-Backbone interact. energy: -4.689 local terms energy: -596.801216 where: bonds (distance) C4'-P energy: -128.023 bonds (distance) P-C4' energy: -122.605 flat angles C4'-P-C4' energy: -127.168 flat angles P-C4'-P energy: -89.969 tors. eta vs tors. theta energy: -129.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1310.988107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.988107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.988107 (E_RNA) where: Base-Base interactions energy: -806.524 where: short stacking energy: -376.334 Base-Backbone interact. energy: 7.345 local terms energy: -511.809588 where: bonds (distance) C4'-P energy: -120.899 bonds (distance) P-C4' energy: -125.981 flat angles C4'-P-C4' energy: -116.799 flat angles P-C4'-P energy: -73.829 tors. eta vs tors. theta energy: -74.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -753.707896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.707896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.707896 (E_RNA) where: Base-Base interactions energy: -374.412 where: short stacking energy: -205.154 Base-Backbone interact. energy: 4.419 local terms energy: -383.714352 where: bonds (distance) C4'-P energy: -110.999 bonds (distance) P-C4' energy: -117.344 flat angles C4'-P-C4' energy: -95.979 flat angles P-C4'-P energy: -69.323 tors. eta vs tors. theta energy: 9.931 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: 4 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2674.093578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.093578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.093578 (E_RNA) where: Base-Base interactions energy: -1867.715 where: short stacking energy: -769.435 Base-Backbone interact. energy: -3.548 local terms energy: -802.830245 where: bonds (distance) C4'-P energy: -148.043 bonds (distance) P-C4' energy: -154.211 flat angles C4'-P-C4' energy: -168.914 flat angles P-C4'-P energy: -100.225 tors. eta vs tors. theta energy: -231.437 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: 8 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2568.076880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.076880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.076880 (E_RNA) where: Base-Base interactions energy: -1813.221 where: short stacking energy: -757.679 Base-Backbone interact. energy: -2.085 local terms energy: -752.770827 where: bonds (distance) C4'-P energy: -129.203 bonds (distance) P-C4' energy: -141.496 flat angles C4'-P-C4' energy: -159.061 flat angles P-C4'-P energy: -103.098 tors. eta vs tors. theta energy: -219.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2488.497886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.497886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.497886 (E_RNA) where: Base-Base interactions energy: -1706.111 where: short stacking energy: -744.877 Base-Backbone interact. energy: -0.661 local terms energy: -781.725774 where: bonds (distance) C4'-P energy: -137.368 bonds (distance) P-C4' energy: -148.469 flat angles C4'-P-C4' energy: -155.591 flat angles P-C4'-P energy: -123.566 tors. eta vs tors. theta energy: -216.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2262.771912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.771912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.771912 (E_RNA) where: Base-Base interactions energy: -1540.032 where: short stacking energy: -682.904 Base-Backbone interact. energy: -1.521 local terms energy: -721.219275 where: bonds (distance) C4'-P energy: -137.126 bonds (distance) P-C4' energy: -145.018 flat angles C4'-P-C4' energy: -156.805 flat angles P-C4'-P energy: -98.432 tors. eta vs tors. theta energy: -183.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2043.725505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.725505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.725505 (E_RNA) where: Base-Base interactions energy: -1407.162 where: short stacking energy: -628.143 Base-Backbone interact. energy: 0.386 local terms energy: -636.949213 where: bonds (distance) C4'-P energy: -121.856 bonds (distance) P-C4' energy: -127.638 flat angles C4'-P-C4' energy: -143.131 flat angles P-C4'-P energy: -88.448 tors. eta vs tors. theta energy: -155.876 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: 6, replica: 3 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2081.357192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.357192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.357192 (E_RNA) where: Base-Base interactions energy: -1412.780 where: short stacking energy: -607.684 Base-Backbone interact. energy: -0.278 local terms energy: -668.299101 where: bonds (distance) C4'-P energy: -139.927 bonds (distance) P-C4' energy: -140.397 flat angles C4'-P-C4' energy: -141.213 flat angles P-C4'-P energy: -80.193 tors. eta vs tors. theta energy: -166.569 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: 10 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1786.724932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.724932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.724932 (E_RNA) where: Base-Base interactions energy: -1152.867 where: short stacking energy: -498.110 Base-Backbone interact. energy: 0.930 local terms energy: -634.787482 where: bonds (distance) C4'-P energy: -123.437 bonds (distance) P-C4' energy: -131.873 flat angles C4'-P-C4' energy: -135.723 flat angles P-C4'-P energy: -106.616 tors. eta vs tors. theta energy: -137.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1741.772129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.772129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.772129 (E_RNA) where: Base-Base interactions energy: -1180.606 where: short stacking energy: -500.586 Base-Backbone interact. energy: -2.432 local terms energy: -558.733634 where: bonds (distance) C4'-P energy: -118.996 bonds (distance) P-C4' energy: -111.258 flat angles C4'-P-C4' energy: -135.083 flat angles P-C4'-P energy: -65.311 tors. eta vs tors. theta energy: -128.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1337.674906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.674906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.674906 (E_RNA) where: Base-Base interactions energy: -842.009 where: short stacking energy: -393.221 Base-Backbone interact. energy: 0.406 local terms energy: -496.072732 where: bonds (distance) C4'-P energy: -101.887 bonds (distance) P-C4' energy: -103.456 flat angles C4'-P-C4' energy: -116.644 flat angles P-C4'-P energy: -93.896 tors. eta vs tors. theta energy: -80.190 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: 10, replica: 5 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -740.173011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.173011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.173011 (E_RNA) where: Base-Base interactions energy: -352.230 where: short stacking energy: -229.659 Base-Backbone interact. energy: 1.793 local terms energy: -389.735744 where: bonds (distance) C4'-P energy: -111.939 bonds (distance) P-C4' energy: -109.008 flat angles C4'-P-C4' energy: -98.606 flat angles P-C4'-P energy: -71.315 tors. eta vs tors. theta energy: 1.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2679.565800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.565800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.565800 (E_RNA) where: Base-Base interactions energy: -1856.645 where: short stacking energy: -770.168 Base-Backbone interact. energy: -5.245 local terms energy: -817.675396 where: bonds (distance) C4'-P energy: -143.835 bonds (distance) P-C4' energy: -156.256 flat angles C4'-P-C4' energy: -161.971 flat angles P-C4'-P energy: -119.667 tors. eta vs tors. theta energy: -235.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2561.755494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.755494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.755494 (E_RNA) where: Base-Base interactions energy: -1757.088 where: short stacking energy: -734.487 Base-Backbone interact. energy: -1.636 local terms energy: -803.031530 where: bonds (distance) C4'-P energy: -151.229 bonds (distance) P-C4' energy: -161.033 flat angles C4'-P-C4' energy: -172.959 flat angles P-C4'-P energy: -96.036 tors. eta vs tors. theta energy: -221.774 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: 1 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2484.043435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.043435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.043435 (E_RNA) where: Base-Base interactions energy: -1693.777 where: short stacking energy: -724.463 Base-Backbone interact. energy: -3.122 local terms energy: -787.145013 where: bonds (distance) C4'-P energy: -142.021 bonds (distance) P-C4' energy: -141.743 flat angles C4'-P-C4' energy: -172.454 flat angles P-C4'-P energy: -120.153 tors. eta vs tors. theta energy: -210.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2311.573601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.573601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.573601 (E_RNA) where: Base-Base interactions energy: -1597.422 where: short stacking energy: -689.841 Base-Backbone interact. energy: -2.038 local terms energy: -712.113122 where: bonds (distance) C4'-P energy: -130.587 bonds (distance) P-C4' energy: -150.028 flat angles C4'-P-C4' energy: -154.920 flat angles P-C4'-P energy: -89.859 tors. eta vs tors. theta energy: -186.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2054.511647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.511647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.511647 (E_RNA) where: Base-Base interactions energy: -1409.685 where: short stacking energy: -624.321 Base-Backbone interact. energy: -4.271 local terms energy: -640.555939 where: bonds (distance) C4'-P energy: -135.848 bonds (distance) P-C4' energy: -119.157 flat angles C4'-P-C4' energy: -145.183 flat angles P-C4'-P energy: -84.911 tors. eta vs tors. theta energy: -155.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2073.245699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.245699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.245699 (E_RNA) where: Base-Base interactions energy: -1421.233 where: short stacking energy: -637.693 Base-Backbone interact. energy: -1.446 local terms energy: -650.566365 where: bonds (distance) C4'-P energy: -108.993 bonds (distance) P-C4' energy: -114.853 flat angles C4'-P-C4' energy: -154.897 flat angles P-C4'-P energy: -81.521 tors. eta vs tors. theta energy: -190.302 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: 10 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1810.214065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.214065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.214065 (E_RNA) where: Base-Base interactions energy: -1218.247 where: short stacking energy: -523.983 Base-Backbone interact. energy: 1.767 local terms energy: -593.733555 where: bonds (distance) C4'-P energy: -120.211 bonds (distance) P-C4' energy: -122.637 flat angles C4'-P-C4' energy: -143.764 flat angles P-C4'-P energy: -90.378 tors. eta vs tors. theta energy: -116.743 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: 9 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1673.113602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.113602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.113602 (E_RNA) where: Base-Base interactions energy: -1114.646 where: short stacking energy: -515.194 Base-Backbone interact. energy: 1.975 local terms energy: -560.442414 where: bonds (distance) C4'-P energy: -123.238 bonds (distance) P-C4' energy: -118.896 flat angles C4'-P-C4' energy: -127.896 flat angles P-C4'-P energy: -74.327 tors. eta vs tors. theta energy: -116.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1325.598523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.598523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.598523 (E_RNA) where: Base-Base interactions energy: -830.034 where: short stacking energy: -368.280 Base-Backbone interact. energy: 4.544 local terms energy: -500.108578 where: bonds (distance) C4'-P energy: -106.005 bonds (distance) P-C4' energy: -137.228 flat angles C4'-P-C4' energy: -113.680 flat angles P-C4'-P energy: -70.009 tors. eta vs tors. theta energy: -73.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -717.309431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.309431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.309431 (E_RNA) where: Base-Base interactions energy: -374.367 where: short stacking energy: -202.675 Base-Backbone interact. energy: 11.881 local terms energy: -354.822787 where: bonds (distance) C4'-P energy: -126.150 bonds (distance) P-C4' energy: -122.745 flat angles C4'-P-C4' energy: -85.088 flat angles P-C4'-P energy: -41.856 tors. eta vs tors. theta energy: 21.017 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: 1, replica: 4 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2654.597726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.597726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.597726 (E_RNA) where: Base-Base interactions energy: -1861.232 where: short stacking energy: -770.866 Base-Backbone interact. energy: -4.235 local terms energy: -789.130766 where: bonds (distance) C4'-P energy: -140.088 bonds (distance) P-C4' energy: -151.839 flat angles C4'-P-C4' energy: -164.778 flat angles P-C4'-P energy: -104.526 tors. eta vs tors. theta energy: -227.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2565.195150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.195150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.195150 (E_RNA) where: Base-Base interactions energy: -1790.842 where: short stacking energy: -759.268 Base-Backbone interact. energy: -2.780 local terms energy: -771.573206 where: bonds (distance) C4'-P energy: -138.657 bonds (distance) P-C4' energy: -142.792 flat angles C4'-P-C4' energy: -161.571 flat angles P-C4'-P energy: -104.498 tors. eta vs tors. theta energy: -224.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2482.577744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.577744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.577744 (E_RNA) where: Base-Base interactions energy: -1712.301 where: short stacking energy: -751.676 Base-Backbone interact. energy: 1.007 local terms energy: -771.283982 where: bonds (distance) C4'-P energy: -136.427 bonds (distance) P-C4' energy: -140.455 flat angles C4'-P-C4' energy: -149.117 flat angles P-C4'-P energy: -121.971 tors. eta vs tors. theta energy: -223.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2293.721283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.721283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.721283 (E_RNA) where: Base-Base interactions energy: -1591.250 where: short stacking energy: -673.344 Base-Backbone interact. energy: -3.467 local terms energy: -699.003927 where: bonds (distance) C4'-P energy: -121.152 bonds (distance) P-C4' energy: -135.990 flat angles C4'-P-C4' energy: -154.036 flat angles P-C4'-P energy: -97.425 tors. eta vs tors. theta energy: -190.402 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: 3 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2094.794197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.794197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.794197 (E_RNA) where: Base-Base interactions energy: -1402.331 where: short stacking energy: -614.067 Base-Backbone interact. energy: -1.960 local terms energy: -690.502855 where: bonds (distance) C4'-P energy: -131.582 bonds (distance) P-C4' energy: -151.274 flat angles C4'-P-C4' energy: -147.025 flat angles P-C4'-P energy: -94.327 tors. eta vs tors. theta energy: -166.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2014.412134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.412134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.412134 (E_RNA) where: Base-Base interactions energy: -1365.044 where: short stacking energy: -575.236 Base-Backbone interact. energy: 1.473 local terms energy: -650.840951 where: bonds (distance) C4'-P energy: -132.838 bonds (distance) P-C4' energy: -135.140 flat angles C4'-P-C4' energy: -133.941 flat angles P-C4'-P energy: -103.744 tors. eta vs tors. theta energy: -145.178 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: 10 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1791.096255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.096255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.096255 (E_RNA) where: Base-Base interactions energy: -1198.848 where: short stacking energy: -514.563 Base-Backbone interact. energy: 0.125 local terms energy: -592.372641 where: bonds (distance) C4'-P energy: -102.737 bonds (distance) P-C4' energy: -128.428 flat angles C4'-P-C4' energy: -135.832 flat angles P-C4'-P energy: -91.885 tors. eta vs tors. theta energy: -133.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1705.203096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.203096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.203096 (E_RNA) where: Base-Base interactions energy: -1091.134 where: short stacking energy: -486.870 Base-Backbone interact. energy: -0.060 local terms energy: -614.009699 where: bonds (distance) C4'-P energy: -144.696 bonds (distance) P-C4' energy: -131.647 flat angles C4'-P-C4' energy: -150.171 flat angles P-C4'-P energy: -77.409 tors. eta vs tors. theta energy: -110.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1313.134960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.134960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.134960 (E_RNA) where: Base-Base interactions energy: -788.978 where: short stacking energy: -352.416 Base-Backbone interact. energy: -1.402 local terms energy: -522.755134 where: bonds (distance) C4'-P energy: -116.489 bonds (distance) P-C4' energy: -146.157 flat angles C4'-P-C4' energy: -130.844 flat angles P-C4'-P energy: -73.103 tors. eta vs tors. theta energy: -56.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -754.359769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.359769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.359769 (E_RNA) where: Base-Base interactions energy: -332.072 where: short stacking energy: -194.317 Base-Backbone interact. energy: -0.188 local terms energy: -422.100543 where: bonds (distance) C4'-P energy: -131.354 bonds (distance) P-C4' energy: -118.646 flat angles C4'-P-C4' energy: -100.219 flat angles P-C4'-P energy: -61.721 tors. eta vs tors. theta energy: -10.160 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: 4 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2651.831416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.831416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.831416 (E_RNA) where: Base-Base interactions energy: -1843.013 where: short stacking energy: -792.061 Base-Backbone interact. energy: -3.910 local terms energy: -804.908621 where: bonds (distance) C4'-P energy: -143.889 bonds (distance) P-C4' energy: -144.857 flat angles C4'-P-C4' energy: -167.318 flat angles P-C4'-P energy: -118.084 tors. eta vs tors. theta energy: -230.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2542.127819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.127819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.127819 (E_RNA) where: Base-Base interactions energy: -1755.411 where: short stacking energy: -743.814 Base-Backbone interact. energy: -3.550 local terms energy: -783.166793 where: bonds (distance) C4'-P energy: -138.831 bonds (distance) P-C4' energy: -152.769 flat angles C4'-P-C4' energy: -173.184 flat angles P-C4'-P energy: -98.748 tors. eta vs tors. theta energy: -219.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2520.171959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.171959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.171959 (E_RNA) where: Base-Base interactions energy: -1741.450 where: short stacking energy: -752.820 Base-Backbone interact. energy: -3.083 local terms energy: -775.638669 where: bonds (distance) C4'-P energy: -121.008 bonds (distance) P-C4' energy: -134.017 flat angles C4'-P-C4' energy: -173.669 flat angles P-C4'-P energy: -110.947 tors. eta vs tors. theta energy: -235.998 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: 7 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2266.116515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.116515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.116515 (E_RNA) where: Base-Base interactions energy: -1537.790 where: short stacking energy: -662.549 Base-Backbone interact. energy: 1.281 local terms energy: -729.606884 where: bonds (distance) C4'-P energy: -137.774 bonds (distance) P-C4' energy: -140.396 flat angles C4'-P-C4' energy: -158.347 flat angles P-C4'-P energy: -107.313 tors. eta vs tors. theta energy: -185.776 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: 5, replica: 3 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2169.852206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.852206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.852206 (E_RNA) where: Base-Base interactions energy: -1479.391 where: short stacking energy: -641.327 Base-Backbone interact. energy: -0.569 local terms energy: -689.891954 where: bonds (distance) C4'-P energy: -113.644 bonds (distance) P-C4' energy: -128.974 flat angles C4'-P-C4' energy: -150.476 flat angles P-C4'-P energy: -105.438 tors. eta vs tors. theta energy: -191.359 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: 409 Temperature: 1.150000 Total energy: -2035.215720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.215720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.215720 (E_RNA) where: Base-Base interactions energy: -1389.801 where: short stacking energy: -595.777 Base-Backbone interact. energy: 2.762 local terms energy: -648.176519 where: bonds (distance) C4'-P energy: -130.043 bonds (distance) P-C4' energy: -136.727 flat angles C4'-P-C4' energy: -141.779 flat angles P-C4'-P energy: -88.190 tors. eta vs tors. theta energy: -151.438 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: 7, replica: 10 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1884.302045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.302045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.302045 (E_RNA) where: Base-Base interactions energy: -1294.542 where: short stacking energy: -523.971 Base-Backbone interact. energy: -1.958 local terms energy: -587.802151 where: bonds (distance) C4'-P energy: -117.238 bonds (distance) P-C4' energy: -128.361 flat angles C4'-P-C4' energy: -126.108 flat angles P-C4'-P energy: -81.334 tors. eta vs tors. theta energy: -134.761 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: 8, replica: 9 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1645.501861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.501861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.501861 (E_RNA) where: Base-Base interactions energy: -1092.547 where: short stacking energy: -468.110 Base-Backbone interact. energy: 0.653 local terms energy: -553.607454 where: bonds (distance) C4'-P energy: -127.700 bonds (distance) P-C4' energy: -122.939 flat angles C4'-P-C4' energy: -120.805 flat angles P-C4'-P energy: -83.411 tors. eta vs tors. theta energy: -98.753 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: 2 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1370.273626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.273626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.273626 (E_RNA) where: Base-Base interactions energy: -858.997 where: short stacking energy: -405.905 Base-Backbone interact. energy: 0.649 local terms energy: -511.925775 where: bonds (distance) C4'-P energy: -112.342 bonds (distance) P-C4' energy: -123.772 flat angles C4'-P-C4' energy: -110.009 flat angles P-C4'-P energy: -93.875 tors. eta vs tors. theta energy: -71.929 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: 5 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -777.371855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.371855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.371855 (E_RNA) where: Base-Base interactions energy: -372.188 where: short stacking energy: -248.571 Base-Backbone interact. energy: 2.686 local terms energy: -407.869349 where: bonds (distance) C4'-P energy: -115.846 bonds (distance) P-C4' energy: -123.751 flat angles C4'-P-C4' energy: -96.281 flat angles P-C4'-P energy: -57.002 tors. eta vs tors. theta energy: -14.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2658.381661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.381661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.381661 (E_RNA) where: Base-Base interactions energy: -1866.950 where: short stacking energy: -769.828 Base-Backbone interact. energy: -1.459 local terms energy: -789.971965 where: bonds (distance) C4'-P energy: -132.455 bonds (distance) P-C4' energy: -154.725 flat angles C4'-P-C4' energy: -161.537 flat angles P-C4'-P energy: -119.466 tors. eta vs tors. theta energy: -221.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2534.333815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.333815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.333815 (E_RNA) where: Base-Base interactions energy: -1764.622 where: short stacking energy: -750.304 Base-Backbone interact. energy: -0.549 local terms energy: -769.162510 where: bonds (distance) C4'-P energy: -143.252 bonds (distance) P-C4' energy: -133.111 flat angles C4'-P-C4' energy: -168.835 flat angles P-C4'-P energy: -112.859 tors. eta vs tors. theta energy: -211.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2525.675481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.675481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.675481 (E_RNA) where: Base-Base interactions energy: -1746.834 where: short stacking energy: -750.890 Base-Backbone interact. energy: -1.558 local terms energy: -777.283410 where: bonds (distance) C4'-P energy: -145.310 bonds (distance) P-C4' energy: -137.372 flat angles C4'-P-C4' energy: -172.503 flat angles P-C4'-P energy: -95.447 tors. eta vs tors. theta energy: -226.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2297.255818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.255818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.255818 (E_RNA) where: Base-Base interactions energy: -1598.743 where: short stacking energy: -670.047 Base-Backbone interact. energy: -1.067 local terms energy: -697.445579 where: bonds (distance) C4'-P energy: -130.671 bonds (distance) P-C4' energy: -137.095 flat angles C4'-P-C4' energy: -145.368 flat angles P-C4'-P energy: -92.779 tors. eta vs tors. theta energy: -191.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2174.657897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.657897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.657897 (E_RNA) where: Base-Base interactions energy: -1488.452 where: short stacking energy: -648.617 Base-Backbone interact. energy: -5.502 local terms energy: -680.704102 where: bonds (distance) C4'-P energy: -128.489 bonds (distance) P-C4' energy: -134.853 flat angles C4'-P-C4' energy: -156.933 flat angles P-C4'-P energy: -74.948 tors. eta vs tors. theta energy: -185.481 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: 6 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2074.354205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.354205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.354205 (E_RNA) where: Base-Base interactions energy: -1469.774 where: short stacking energy: -621.491 Base-Backbone interact. energy: 0.863 local terms energy: -605.443436 where: bonds (distance) C4'-P energy: -107.290 bonds (distance) P-C4' energy: -119.401 flat angles C4'-P-C4' energy: -127.857 flat angles P-C4'-P energy: -80.237 tors. eta vs tors. theta energy: -170.658 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: 10 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1896.063539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.063539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.063539 (E_RNA) where: Base-Base interactions energy: -1288.489 where: short stacking energy: -561.840 Base-Backbone interact. energy: -0.357 local terms energy: -607.216997 where: bonds (distance) C4'-P energy: -121.667 bonds (distance) P-C4' energy: -126.690 flat angles C4'-P-C4' energy: -132.737 flat angles P-C4'-P energy: -84.812 tors. eta vs tors. theta energy: -141.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1671.410198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.410198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.410198 (E_RNA) where: Base-Base interactions energy: -1126.646 where: short stacking energy: -510.122 Base-Backbone interact. energy: 2.375 local terms energy: -547.138854 where: bonds (distance) C4'-P energy: -121.303 bonds (distance) P-C4' energy: -121.233 flat angles C4'-P-C4' energy: -135.919 flat angles P-C4'-P energy: -67.489 tors. eta vs tors. theta energy: -101.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1301.419432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.419432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.419432 (E_RNA) where: Base-Base interactions energy: -802.195 where: short stacking energy: -372.031 Base-Backbone interact. energy: -0.718 local terms energy: -498.505900 where: bonds (distance) C4'-P energy: -115.056 bonds (distance) P-C4' energy: -129.409 flat angles C4'-P-C4' energy: -101.642 flat angles P-C4'-P energy: -88.571 tors. eta vs tors. theta energy: -63.828 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: 5 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -729.422835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.422835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.422835 (E_RNA) where: Base-Base interactions energy: -316.887 where: short stacking energy: -196.189 Base-Backbone interact. energy: 0.013 local terms energy: -412.548817 where: bonds (distance) C4'-P energy: -115.479 bonds (distance) P-C4' energy: -125.811 flat angles C4'-P-C4' energy: -114.304 flat angles P-C4'-P energy: -56.536 tors. eta vs tors. theta energy: -0.419 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: 4 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2642.051904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.051904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.051904 (E_RNA) where: Base-Base interactions energy: -1853.239 where: short stacking energy: -769.607 Base-Backbone interact. energy: -0.011 local terms energy: -788.802589 where: bonds (distance) C4'-P energy: -157.335 bonds (distance) P-C4' energy: -140.269 flat angles C4'-P-C4' energy: -164.877 flat angles P-C4'-P energy: -97.952 tors. eta vs tors. theta energy: -228.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2525.016789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.016789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.016789 (E_RNA) where: Base-Base interactions energy: -1732.084 where: short stacking energy: -724.405 Base-Backbone interact. energy: -4.506 local terms energy: -788.427271 where: bonds (distance) C4'-P energy: -145.284 bonds (distance) P-C4' energy: -162.075 flat angles C4'-P-C4' energy: -159.016 flat angles P-C4'-P energy: -101.274 tors. eta vs tors. theta energy: -220.778 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: 3, replica: 1 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2514.517160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.517160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.517160 (E_RNA) where: Base-Base interactions energy: -1729.431 where: short stacking energy: -766.410 Base-Backbone interact. energy: -1.906 local terms energy: -783.179904 where: bonds (distance) C4'-P energy: -137.912 bonds (distance) P-C4' energy: -147.195 flat angles C4'-P-C4' energy: -164.835 flat angles P-C4'-P energy: -100.868 tors. eta vs tors. theta energy: -232.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2266.708923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.708923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.708923 (E_RNA) where: Base-Base interactions energy: -1566.159 where: short stacking energy: -682.545 Base-Backbone interact. energy: -2.573 local terms energy: -697.976769 where: bonds (distance) C4'-P energy: -131.031 bonds (distance) P-C4' energy: -143.412 flat angles C4'-P-C4' energy: -154.016 flat angles P-C4'-P energy: -77.433 tors. eta vs tors. theta energy: -192.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2199.670737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.670737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.670737 (E_RNA) where: Base-Base interactions energy: -1520.532 where: short stacking energy: -628.350 Base-Backbone interact. energy: -1.503 local terms energy: -677.635355 where: bonds (distance) C4'-P energy: -132.562 bonds (distance) P-C4' energy: -140.796 flat angles C4'-P-C4' energy: -151.881 flat angles P-C4'-P energy: -86.197 tors. eta vs tors. theta energy: -166.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2071.658659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.658659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.658659 (E_RNA) where: Base-Base interactions energy: -1422.339 where: short stacking energy: -598.541 Base-Backbone interact. energy: -1.752 local terms energy: -647.567346 where: bonds (distance) C4'-P energy: -121.833 bonds (distance) P-C4' energy: -120.572 flat angles C4'-P-C4' energy: -145.814 flat angles P-C4'-P energy: -98.583 tors. eta vs tors. theta energy: -160.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1926.047323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.047323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.047323 (E_RNA) where: Base-Base interactions energy: -1311.263 where: short stacking energy: -543.990 Base-Backbone interact. energy: 0.847 local terms energy: -615.631614 where: bonds (distance) C4'-P energy: -131.271 bonds (distance) P-C4' energy: -130.167 flat angles C4'-P-C4' energy: -122.968 flat angles P-C4'-P energy: -88.084 tors. eta vs tors. theta energy: -143.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1692.742004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.742004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.742004 (E_RNA) where: Base-Base interactions energy: -1138.241 where: short stacking energy: -508.846 Base-Backbone interact. energy: 0.448 local terms energy: -554.948752 where: bonds (distance) C4'-P energy: -103.448 bonds (distance) P-C4' energy: -125.261 flat angles C4'-P-C4' energy: -129.389 flat angles P-C4'-P energy: -85.961 tors. eta vs tors. theta energy: -110.890 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: 2 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1306.972357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.972357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.972357 (E_RNA) where: Base-Base interactions energy: -861.042 where: short stacking energy: -360.011 Base-Backbone interact. energy: 1.100 local terms energy: -447.030253 where: bonds (distance) C4'-P energy: -115.438 bonds (distance) P-C4' energy: -112.043 flat angles C4'-P-C4' energy: -106.776 flat angles P-C4'-P energy: -61.101 tors. eta vs tors. theta energy: -51.672 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: 5 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -722.490474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.490474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.490474 (E_RNA) where: Base-Base interactions energy: -322.486 where: short stacking energy: -194.759 Base-Backbone interact. energy: 0.167 local terms energy: -400.171244 where: bonds (distance) C4'-P energy: -123.546 bonds (distance) P-C4' energy: -122.285 flat angles C4'-P-C4' energy: -119.162 flat angles P-C4'-P energy: -52.211 tors. eta vs tors. theta energy: 17.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2680.890896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.890896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.890896 (E_RNA) where: Base-Base interactions energy: -1848.838 where: short stacking energy: -785.823 Base-Backbone interact. energy: -3.348 local terms energy: -828.704473 where: bonds (distance) C4'-P energy: -147.161 bonds (distance) P-C4' energy: -155.579 flat angles C4'-P-C4' energy: -171.528 flat angles P-C4'-P energy: -122.025 tors. eta vs tors. theta energy: -232.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2527.659489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.659489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.659489 (E_RNA) where: Base-Base interactions energy: -1744.791 where: short stacking energy: -724.357 Base-Backbone interact. energy: -2.437 local terms energy: -780.431990 where: bonds (distance) C4'-P energy: -150.333 bonds (distance) P-C4' energy: -146.494 flat angles C4'-P-C4' energy: -158.772 flat angles P-C4'-P energy: -104.187 tors. eta vs tors. theta energy: -220.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2461.462314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.462314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.462314 (E_RNA) where: Base-Base interactions energy: -1728.326 where: short stacking energy: -762.267 Base-Backbone interact. energy: -1.845 local terms energy: -731.290761 where: bonds (distance) C4'-P energy: -115.267 bonds (distance) P-C4' energy: -134.687 flat angles C4'-P-C4' energy: -166.838 flat angles P-C4'-P energy: -92.723 tors. eta vs tors. theta energy: -221.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2236.035781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.035781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.035781 (E_RNA) where: Base-Base interactions energy: -1525.854 where: short stacking energy: -632.478 Base-Backbone interact. energy: -3.080 local terms energy: -707.101778 where: bonds (distance) C4'-P energy: -143.391 bonds (distance) P-C4' energy: -146.063 flat angles C4'-P-C4' energy: -140.947 flat angles P-C4'-P energy: -106.698 tors. eta vs tors. theta energy: -170.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2169.809599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.809599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.809599 (E_RNA) where: Base-Base interactions energy: -1496.559 where: short stacking energy: -614.578 Base-Backbone interact. energy: -2.956 local terms energy: -670.295299 where: bonds (distance) C4'-P energy: -132.633 bonds (distance) P-C4' energy: -139.210 flat angles C4'-P-C4' energy: -157.385 flat angles P-C4'-P energy: -77.753 tors. eta vs tors. theta energy: -163.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2023.959750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.959750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.959750 (E_RNA) where: Base-Base interactions energy: -1367.453 where: short stacking energy: -607.775 Base-Backbone interact. energy: 2.707 local terms energy: -659.213960 where: bonds (distance) C4'-P energy: -131.632 bonds (distance) P-C4' energy: -138.107 flat angles C4'-P-C4' energy: -153.877 flat angles P-C4'-P energy: -86.050 tors. eta vs tors. theta energy: -149.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1899.029137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.029137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.029137 (E_RNA) where: Base-Base interactions energy: -1287.130 where: short stacking energy: -554.949 Base-Backbone interact. energy: -0.075 local terms energy: -611.824381 where: bonds (distance) C4'-P energy: -118.471 bonds (distance) P-C4' energy: -113.703 flat angles C4'-P-C4' energy: -143.743 flat angles P-C4'-P energy: -76.231 tors. eta vs tors. theta energy: -159.676 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: 9 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1699.293583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.293583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.293583 (E_RNA) where: Base-Base interactions energy: -1127.262 where: short stacking energy: -469.403 Base-Backbone interact. energy: 0.148 local terms energy: -572.179883 where: bonds (distance) C4'-P energy: -121.076 bonds (distance) P-C4' energy: -132.807 flat angles C4'-P-C4' energy: -139.117 flat angles P-C4'-P energy: -77.378 tors. eta vs tors. theta energy: -101.801 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: 2 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1394.702783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.702783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.702783 (E_RNA) where: Base-Base interactions energy: -898.132 where: short stacking energy: -397.717 Base-Backbone interact. energy: 7.595 local terms energy: -504.165957 where: bonds (distance) C4'-P energy: -110.420 bonds (distance) P-C4' energy: -150.933 flat angles C4'-P-C4' energy: -111.912 flat angles P-C4'-P energy: -65.345 tors. eta vs tors. theta energy: -65.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -677.031250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.031250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.031250 (E_RNA) where: Base-Base interactions energy: -297.141 where: short stacking energy: -168.442 Base-Backbone interact. energy: 2.923 local terms energy: -382.814154 where: bonds (distance) C4'-P energy: -98.628 bonds (distance) P-C4' energy: -141.867 flat angles C4'-P-C4' energy: -83.116 flat angles P-C4'-P energy: -80.255 tors. eta vs tors. theta energy: 21.051 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: 1, replica: 4 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2656.859649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.859649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.859649 (E_RNA) where: Base-Base interactions energy: -1849.703 where: short stacking energy: -780.176 Base-Backbone interact. energy: -3.625 local terms energy: -803.532137 where: bonds (distance) C4'-P energy: -145.155 bonds (distance) P-C4' energy: -149.184 flat angles C4'-P-C4' energy: -161.899 flat angles P-C4'-P energy: -118.067 tors. eta vs tors. theta energy: -229.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2545.594695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.594695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.594695 (E_RNA) where: Base-Base interactions energy: -1754.412 where: short stacking energy: -790.193 Base-Backbone interact. energy: -1.003 local terms energy: -790.179389 where: bonds (distance) C4'-P energy: -149.120 bonds (distance) P-C4' energy: -127.460 flat angles C4'-P-C4' energy: -167.340 flat angles P-C4'-P energy: -117.305 tors. eta vs tors. theta energy: -228.955 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: 8 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2479.222056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.222056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.222056 (E_RNA) where: Base-Base interactions energy: -1705.279 where: short stacking energy: -713.179 Base-Backbone interact. energy: -0.539 local terms energy: -773.404161 where: bonds (distance) C4'-P energy: -154.052 bonds (distance) P-C4' energy: -138.170 flat angles C4'-P-C4' energy: -163.735 flat angles P-C4'-P energy: -102.809 tors. eta vs tors. theta energy: -214.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2286.457852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.457852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.457852 (E_RNA) where: Base-Base interactions energy: -1578.037 where: short stacking energy: -676.345 Base-Backbone interact. energy: -2.940 local terms energy: -705.480942 where: bonds (distance) C4'-P energy: -133.960 bonds (distance) P-C4' energy: -146.710 flat angles C4'-P-C4' energy: -141.899 flat angles P-C4'-P energy: -97.272 tors. eta vs tors. theta energy: -185.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2186.028547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.028547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.028547 (E_RNA) where: Base-Base interactions energy: -1505.147 where: short stacking energy: -636.215 Base-Backbone interact. energy: -2.669 local terms energy: -678.213251 where: bonds (distance) C4'-P energy: -129.817 bonds (distance) P-C4' energy: -122.235 flat angles C4'-P-C4' energy: -149.413 flat angles P-C4'-P energy: -101.319 tors. eta vs tors. theta energy: -175.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2041.179010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.179010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.179010 (E_RNA) where: Base-Base interactions energy: -1400.657 where: short stacking energy: -589.668 Base-Backbone interact. energy: -2.181 local terms energy: -638.340604 where: bonds (distance) C4'-P energy: -131.591 bonds (distance) P-C4' energy: -132.780 flat angles C4'-P-C4' energy: -146.459 flat angles P-C4'-P energy: -78.349 tors. eta vs tors. theta energy: -149.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1846.687033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.687033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.687033 (E_RNA) where: Base-Base interactions energy: -1202.535 where: short stacking energy: -545.509 Base-Backbone interact. energy: -2.089 local terms energy: -642.062745 where: bonds (distance) C4'-P energy: -127.985 bonds (distance) P-C4' energy: -123.010 flat angles C4'-P-C4' energy: -152.386 flat angles P-C4'-P energy: -105.472 tors. eta vs tors. theta energy: -133.211 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: 9 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1671.941695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.941695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.941695 (E_RNA) where: Base-Base interactions energy: -1137.591 where: short stacking energy: -491.369 Base-Backbone interact. energy: 0.497 local terms energy: -534.847549 where: bonds (distance) C4'-P energy: -107.137 bonds (distance) P-C4' energy: -124.658 flat angles C4'-P-C4' energy: -122.378 flat angles P-C4'-P energy: -81.076 tors. eta vs tors. theta energy: -99.599 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: 2 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1341.639013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.639013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.639013 (E_RNA) where: Base-Base interactions energy: -845.373 where: short stacking energy: -390.735 Base-Backbone interact. energy: 2.775 local terms energy: -499.040983 where: bonds (distance) C4'-P energy: -122.022 bonds (distance) P-C4' energy: -132.965 flat angles C4'-P-C4' energy: -117.255 flat angles P-C4'-P energy: -67.990 tors. eta vs tors. theta energy: -58.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -716.300844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.300844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.300844 (E_RNA) where: Base-Base interactions energy: -315.425 where: short stacking energy: -223.413 Base-Backbone interact. energy: -1.905 local terms energy: -398.970504 where: bonds (distance) C4'-P energy: -108.867 bonds (distance) P-C4' energy: -133.541 flat angles C4'-P-C4' energy: -91.301 flat angles P-C4'-P energy: -64.363 tors. eta vs tors. theta energy: -0.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2679.540814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.540814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.540814 (E_RNA) where: Base-Base interactions energy: -1862.114 where: short stacking energy: -793.170 Base-Backbone interact. energy: -4.622 local terms energy: -812.804561 where: bonds (distance) C4'-P energy: -146.966 bonds (distance) P-C4' energy: -154.930 flat angles C4'-P-C4' energy: -167.791 flat angles P-C4'-P energy: -108.341 tors. eta vs tors. theta energy: -234.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2565.166999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.166999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.166999 (E_RNA) where: Base-Base interactions energy: -1743.723 where: short stacking energy: -778.819 Base-Backbone interact. energy: -3.914 local terms energy: -817.530109 where: bonds (distance) C4'-P energy: -148.842 bonds (distance) P-C4' energy: -146.295 flat angles C4'-P-C4' energy: -178.603 flat angles P-C4'-P energy: -109.288 tors. eta vs tors. theta energy: -234.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2465.411777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.411777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.411777 (E_RNA) where: Base-Base interactions energy: -1701.813 where: short stacking energy: -739.028 Base-Backbone interact. energy: -3.121 local terms energy: -760.478129 where: bonds (distance) C4'-P energy: -137.227 bonds (distance) P-C4' energy: -140.972 flat angles C4'-P-C4' energy: -164.277 flat angles P-C4'-P energy: -107.908 tors. eta vs tors. theta energy: -210.093 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: 7 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2287.817961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.817961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.817961 (E_RNA) where: Base-Base interactions energy: -1575.433 where: short stacking energy: -671.108 Base-Backbone interact. energy: -1.206 local terms energy: -711.179241 where: bonds (distance) C4'-P energy: -134.937 bonds (distance) P-C4' energy: -140.142 flat angles C4'-P-C4' energy: -148.250 flat angles P-C4'-P energy: -95.376 tors. eta vs tors. theta energy: -192.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2172.805091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.805091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.805091 (E_RNA) where: Base-Base interactions energy: -1493.956 where: short stacking energy: -629.131 Base-Backbone interact. energy: 1.416 local terms energy: -680.265079 where: bonds (distance) C4'-P energy: -116.820 bonds (distance) P-C4' energy: -131.430 flat angles C4'-P-C4' energy: -149.439 flat angles P-C4'-P energy: -103.286 tors. eta vs tors. theta energy: -179.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2014.530736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.530736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.530736 (E_RNA) where: Base-Base interactions energy: -1352.802 where: short stacking energy: -587.073 Base-Backbone interact. energy: -1.645 local terms energy: -660.083860 where: bonds (distance) C4'-P energy: -137.042 bonds (distance) P-C4' energy: -126.243 flat angles C4'-P-C4' energy: -160.364 flat angles P-C4'-P energy: -92.052 tors. eta vs tors. theta energy: -144.383 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: 414 Temperature: 1.200000 Total energy: -1841.914879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.914879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.914879 (E_RNA) where: Base-Base interactions energy: -1221.057 where: short stacking energy: -541.734 Base-Backbone interact. energy: -2.039 local terms energy: -618.819033 where: bonds (distance) C4'-P energy: -118.679 bonds (distance) P-C4' energy: -126.912 flat angles C4'-P-C4' energy: -139.513 flat angles P-C4'-P energy: -90.396 tors. eta vs tors. theta energy: -143.318 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: 9 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1642.349709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.349709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.349709 (E_RNA) where: Base-Base interactions energy: -1083.612 where: short stacking energy: -475.314 Base-Backbone interact. energy: -1.616 local terms energy: -557.122046 where: bonds (distance) C4'-P energy: -123.740 bonds (distance) P-C4' energy: -133.427 flat angles C4'-P-C4' energy: -125.636 flat angles P-C4'-P energy: -70.588 tors. eta vs tors. theta energy: -103.731 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: 2 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1258.432152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.432152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.432152 (E_RNA) where: Base-Base interactions energy: -801.309 where: short stacking energy: -348.788 Base-Backbone interact. energy: -0.685 local terms energy: -456.437375 where: bonds (distance) C4'-P energy: -128.981 bonds (distance) P-C4' energy: -114.800 flat angles C4'-P-C4' energy: -94.804 flat angles P-C4'-P energy: -66.324 tors. eta vs tors. theta energy: -51.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -774.839853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.839853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.839853 (E_RNA) where: Base-Base interactions energy: -391.794 where: short stacking energy: -224.160 Base-Backbone interact. energy: 5.258 local terms energy: -388.303974 where: bonds (distance) C4'-P energy: -102.522 bonds (distance) P-C4' energy: -128.473 flat angles C4'-P-C4' energy: -100.382 flat angles P-C4'-P energy: -52.188 tors. eta vs tors. theta energy: -4.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2646.381396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.381396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.381396 (E_RNA) where: Base-Base interactions energy: -1843.587 where: short stacking energy: -769.167 Base-Backbone interact. energy: -0.135 local terms energy: -802.659713 where: bonds (distance) C4'-P energy: -148.857 bonds (distance) P-C4' energy: -142.350 flat angles C4'-P-C4' energy: -175.291 flat angles P-C4'-P energy: -104.503 tors. eta vs tors. theta energy: -231.658 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: 2, replica: 1 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2560.995769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.995769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.995769 (E_RNA) where: Base-Base interactions energy: -1751.922 where: short stacking energy: -775.468 Base-Backbone interact. energy: -3.857 local terms energy: -805.216574 where: bonds (distance) C4'-P energy: -139.738 bonds (distance) P-C4' energy: -149.073 flat angles C4'-P-C4' energy: -163.423 flat angles P-C4'-P energy: -116.060 tors. eta vs tors. theta energy: -236.922 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: 3, replica: 8 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2484.449128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.449128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.449128 (E_RNA) where: Base-Base interactions energy: -1735.496 where: short stacking energy: -708.282 Base-Backbone interact. energy: -1.558 local terms energy: -747.394852 where: bonds (distance) C4'-P energy: -135.150 bonds (distance) P-C4' energy: -135.670 flat angles C4'-P-C4' energy: -166.461 flat angles P-C4'-P energy: -106.371 tors. eta vs tors. theta energy: -203.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2323.183726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.183726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.183726 (E_RNA) where: Base-Base interactions energy: -1577.584 where: short stacking energy: -703.557 Base-Backbone interact. energy: -2.712 local terms energy: -742.888201 where: bonds (distance) C4'-P energy: -141.785 bonds (distance) P-C4' energy: -140.575 flat angles C4'-P-C4' energy: -146.041 flat angles P-C4'-P energy: -111.303 tors. eta vs tors. theta energy: -203.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2136.180296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.180296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.180296 (E_RNA) where: Base-Base interactions energy: -1434.370 where: short stacking energy: -631.789 Base-Backbone interact. energy: -4.332 local terms energy: -697.478631 where: bonds (distance) C4'-P energy: -134.854 bonds (distance) P-C4' energy: -142.860 flat angles C4'-P-C4' energy: -144.838 flat angles P-C4'-P energy: -100.808 tors. eta vs tors. theta energy: -174.119 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: 6, replica: 6 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2026.563773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.563773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.563773 (E_RNA) where: Base-Base interactions energy: -1400.969 where: short stacking energy: -584.802 Base-Backbone interact. energy: -2.381 local terms energy: -623.213624 where: bonds (distance) C4'-P energy: -127.012 bonds (distance) P-C4' energy: -133.299 flat angles C4'-P-C4' energy: -137.266 flat angles P-C4'-P energy: -80.710 tors. eta vs tors. theta energy: -144.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1800.947772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.947772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.947772 (E_RNA) where: Base-Base interactions energy: -1213.182 where: short stacking energy: -505.892 Base-Backbone interact. energy: 0.334 local terms energy: -588.100057 where: bonds (distance) C4'-P energy: -118.461 bonds (distance) P-C4' energy: -121.957 flat angles C4'-P-C4' energy: -129.767 flat angles P-C4'-P energy: -88.835 tors. eta vs tors. theta energy: -129.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1745.438362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.438362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.438362 (E_RNA) where: Base-Base interactions energy: -1167.276 where: short stacking energy: -486.875 Base-Backbone interact. energy: 5.314 local terms energy: -583.476394 where: bonds (distance) C4'-P energy: -122.519 bonds (distance) P-C4' energy: -121.474 flat angles C4'-P-C4' energy: -136.809 flat angles P-C4'-P energy: -98.834 tors. eta vs tors. theta energy: -103.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1325.694821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.694821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.694821 (E_RNA) where: Base-Base interactions energy: -808.433 where: short stacking energy: -355.372 Base-Backbone interact. energy: 2.122 local terms energy: -519.383913 where: bonds (distance) C4'-P energy: -102.742 bonds (distance) P-C4' energy: -125.545 flat angles C4'-P-C4' energy: -137.958 flat angles P-C4'-P energy: -85.637 tors. eta vs tors. theta energy: -67.503 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: 10, replica: 5 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -798.708728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.708728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.708728 (E_RNA) where: Base-Base interactions energy: -379.855 where: short stacking energy: -209.676 Base-Backbone interact. energy: -2.134 local terms energy: -416.719891 where: bonds (distance) C4'-P energy: -106.393 bonds (distance) P-C4' energy: -126.407 flat angles C4'-P-C4' energy: -98.578 flat angles P-C4'-P energy: -70.937 tors. eta vs tors. theta energy: -14.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2620.401797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.401797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.401797 (E_RNA) where: Base-Base interactions energy: -1827.442 where: short stacking energy: -767.669 Base-Backbone interact. energy: -3.950 local terms energy: -789.010185 where: bonds (distance) C4'-P energy: -152.513 bonds (distance) P-C4' energy: -133.998 flat angles C4'-P-C4' energy: -166.598 flat angles P-C4'-P energy: -113.866 tors. eta vs tors. theta energy: -222.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2579.099820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.099820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.099820 (E_RNA) where: Base-Base interactions energy: -1744.966 where: short stacking energy: -779.470 Base-Backbone interact. energy: -3.546 local terms energy: -830.588322 where: bonds (distance) C4'-P energy: -156.187 bonds (distance) P-C4' energy: -146.489 flat angles C4'-P-C4' energy: -170.948 flat angles P-C4'-P energy: -119.491 tors. eta vs tors. theta energy: -237.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2496.221566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.221566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.221566 (E_RNA) where: Base-Base interactions energy: -1713.525 where: short stacking energy: -725.494 Base-Backbone interact. energy: -5.808 local terms energy: -776.888544 where: bonds (distance) C4'-P energy: -149.580 bonds (distance) P-C4' energy: -141.947 flat angles C4'-P-C4' energy: -164.206 flat angles P-C4'-P energy: -103.969 tors. eta vs tors. theta energy: -217.187 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: 416 Temperature: 1.050000 Total energy: -2312.966938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.966938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.966938 (E_RNA) where: Base-Base interactions energy: -1590.057 where: short stacking energy: -703.235 Base-Backbone interact. energy: -4.241 local terms energy: -718.669017 where: bonds (distance) C4'-P energy: -129.003 bonds (distance) P-C4' energy: -132.841 flat angles C4'-P-C4' energy: -160.907 flat angles P-C4'-P energy: -98.013 tors. eta vs tors. theta energy: -197.905 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: 5, replica: 3 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2132.301484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.301484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.301484 (E_RNA) where: Base-Base interactions energy: -1447.145 where: short stacking energy: -602.152 Base-Backbone interact. energy: 1.872 local terms energy: -687.028569 where: bonds (distance) C4'-P energy: -119.321 bonds (distance) P-C4' energy: -168.100 flat angles C4'-P-C4' energy: -149.812 flat angles P-C4'-P energy: -89.778 tors. eta vs tors. theta energy: -160.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2026.394221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.394221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.394221 (E_RNA) where: Base-Base interactions energy: -1373.420 where: short stacking energy: -581.401 Base-Backbone interact. energy: -2.199 local terms energy: -650.774516 where: bonds (distance) C4'-P energy: -125.742 bonds (distance) P-C4' energy: -140.051 flat angles C4'-P-C4' energy: -142.394 flat angles P-C4'-P energy: -101.432 tors. eta vs tors. theta energy: -141.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1790.088089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.088089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.088089 (E_RNA) where: Base-Base interactions energy: -1169.821 where: short stacking energy: -480.979 Base-Backbone interact. energy: 2.375 local terms energy: -622.641362 where: bonds (distance) C4'-P energy: -136.302 bonds (distance) P-C4' energy: -128.757 flat angles C4'-P-C4' energy: -151.804 flat angles P-C4'-P energy: -82.238 tors. eta vs tors. theta energy: -123.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1690.624645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.624645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.624645 (E_RNA) where: Base-Base interactions energy: -1123.737 where: short stacking energy: -501.562 Base-Backbone interact. energy: -1.646 local terms energy: -565.240979 where: bonds (distance) C4'-P energy: -103.718 bonds (distance) P-C4' energy: -130.609 flat angles C4'-P-C4' energy: -139.374 flat angles P-C4'-P energy: -78.220 tors. eta vs tors. theta energy: -113.320 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: 2 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1266.138022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.138022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.138022 (E_RNA) where: Base-Base interactions energy: -789.068 where: short stacking energy: -381.693 Base-Backbone interact. energy: 0.670 local terms energy: -477.739636 where: bonds (distance) C4'-P energy: -104.041 bonds (distance) P-C4' energy: -137.082 flat angles C4'-P-C4' energy: -107.873 flat angles P-C4'-P energy: -64.752 tors. eta vs tors. theta energy: -63.991 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: 10, replica: 5 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -794.836675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.836675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.836675 (E_RNA) where: Base-Base interactions energy: -399.506 where: short stacking energy: -258.410 Base-Backbone interact. energy: -0.208 local terms energy: -395.122022 where: bonds (distance) C4'-P energy: -119.452 bonds (distance) P-C4' energy: -126.666 flat angles C4'-P-C4' energy: -99.696 flat angles P-C4'-P energy: -49.315 tors. eta vs tors. theta energy: 0.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2683.605430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.605430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.605430 (E_RNA) where: Base-Base interactions energy: -1886.214 where: short stacking energy: -800.576 Base-Backbone interact. energy: -3.422 local terms energy: -793.969081 where: bonds (distance) C4'-P energy: -140.173 bonds (distance) P-C4' energy: -142.216 flat angles C4'-P-C4' energy: -168.587 flat angles P-C4'-P energy: -108.091 tors. eta vs tors. theta energy: -234.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2576.542069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.542069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.542069 (E_RNA) where: Base-Base interactions energy: -1767.099 where: short stacking energy: -780.399 Base-Backbone interact. energy: -1.019 local terms energy: -808.423756 where: bonds (distance) C4'-P energy: -144.603 bonds (distance) P-C4' energy: -156.253 flat angles C4'-P-C4' energy: -157.810 flat angles P-C4'-P energy: -111.451 tors. eta vs tors. theta energy: -238.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2472.551292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.551292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.551292 (E_RNA) where: Base-Base interactions energy: -1655.578 where: short stacking energy: -694.479 Base-Backbone interact. energy: -1.859 local terms energy: -815.114262 where: bonds (distance) C4'-P energy: -153.828 bonds (distance) P-C4' energy: -164.326 flat angles C4'-P-C4' energy: -168.923 flat angles P-C4'-P energy: -110.025 tors. eta vs tors. theta energy: -218.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2287.745633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.745633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.745633 (E_RNA) where: Base-Base interactions energy: -1563.153 where: short stacking energy: -684.171 Base-Backbone interact. energy: -1.717 local terms energy: -722.875296 where: bonds (distance) C4'-P energy: -134.578 bonds (distance) P-C4' energy: -129.079 flat angles C4'-P-C4' energy: -156.544 flat angles P-C4'-P energy: -103.004 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: 5, replica: 3 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2147.561322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.561322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.561322 (E_RNA) where: Base-Base interactions energy: -1475.141 where: short stacking energy: -612.578 Base-Backbone interact. energy: 2.793 local terms energy: -675.212966 where: bonds (distance) C4'-P energy: -130.363 bonds (distance) P-C4' energy: -134.438 flat angles C4'-P-C4' energy: -145.905 flat angles P-C4'-P energy: -96.061 tors. eta vs tors. theta energy: -168.446 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: 417 Temperature: 1.150000 Total energy: -2077.570855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.570855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.570855 (E_RNA) where: Base-Base interactions energy: -1388.043 where: short stacking energy: -610.537 Base-Backbone interact. energy: 4.357 local terms energy: -693.885020 where: bonds (distance) C4'-P energy: -129.289 bonds (distance) P-C4' energy: -139.110 flat angles C4'-P-C4' energy: -151.797 flat angles P-C4'-P energy: -105.726 tors. eta vs tors. theta energy: -167.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1844.461731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.461731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.461731 (E_RNA) where: Base-Base interactions energy: -1216.928 where: short stacking energy: -547.082 Base-Backbone interact. energy: -1.984 local terms energy: -625.550016 where: bonds (distance) C4'-P energy: -97.286 bonds (distance) P-C4' energy: -139.163 flat angles C4'-P-C4' energy: -155.831 flat angles P-C4'-P energy: -100.511 tors. eta vs tors. theta energy: -132.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1623.339475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.339475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.339475 (E_RNA) where: Base-Base interactions energy: -1073.499 where: short stacking energy: -452.526 Base-Backbone interact. energy: 1.138 local terms energy: -550.977886 where: bonds (distance) C4'-P energy: -121.655 bonds (distance) P-C4' energy: -120.400 flat angles C4'-P-C4' energy: -128.636 flat angles P-C4'-P energy: -82.252 tors. eta vs tors. theta energy: -98.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1375.038657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.038657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.038657 (E_RNA) where: Base-Base interactions energy: -852.398 where: short stacking energy: -379.722 Base-Backbone interact. energy: -3.488 local terms energy: -519.152856 where: bonds (distance) C4'-P energy: -124.018 bonds (distance) P-C4' energy: -123.436 flat angles C4'-P-C4' energy: -117.049 flat angles P-C4'-P energy: -87.047 tors. eta vs tors. theta energy: -67.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -789.484003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.484003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.484003 (E_RNA) where: Base-Base interactions energy: -343.061 where: short stacking energy: -196.709 Base-Backbone interact. energy: 0.689 local terms energy: -447.111983 where: bonds (distance) C4'-P energy: -141.289 bonds (distance) P-C4' energy: -121.115 flat angles C4'-P-C4' energy: -121.913 flat angles P-C4'-P energy: -59.253 tors. eta vs tors. theta energy: -3.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2679.387560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.387560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.387560 (E_RNA) where: Base-Base interactions energy: -1887.074 where: short stacking energy: -810.909 Base-Backbone interact. energy: -1.946 local terms energy: -790.367599 where: bonds (distance) C4'-P energy: -137.594 bonds (distance) P-C4' energy: -147.708 flat angles C4'-P-C4' energy: -152.854 flat angles P-C4'-P energy: -116.178 tors. eta vs tors. theta energy: -236.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2599.897499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.897499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.897499 (E_RNA) where: Base-Base interactions energy: -1787.879 where: short stacking energy: -794.410 Base-Backbone interact. energy: -0.440 local terms energy: -811.578507 where: bonds (distance) C4'-P energy: -163.174 bonds (distance) P-C4' energy: -143.670 flat angles C4'-P-C4' energy: -170.508 flat angles P-C4'-P energy: -108.891 tors. eta vs tors. theta energy: -225.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2497.939231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.939231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.939231 (E_RNA) where: Base-Base interactions energy: -1765.253 where: short stacking energy: -745.386 Base-Backbone interact. energy: 0.156 local terms energy: -732.842745 where: bonds (distance) C4'-P energy: -127.783 bonds (distance) P-C4' energy: -125.366 flat angles C4'-P-C4' energy: -153.305 flat angles P-C4'-P energy: -105.367 tors. eta vs tors. theta energy: -221.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2278.022302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.022302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.022302 (E_RNA) where: Base-Base interactions energy: -1552.465 where: short stacking energy: -679.477 Base-Backbone interact. energy: -1.958 local terms energy: -723.599098 where: bonds (distance) C4'-P energy: -130.881 bonds (distance) P-C4' energy: -139.815 flat angles C4'-P-C4' energy: -160.735 flat angles P-C4'-P energy: -102.565 tors. eta vs tors. theta energy: -189.603 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: 5, replica: 3 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2146.825955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.825955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.825955 (E_RNA) where: Base-Base interactions energy: -1470.007 where: short stacking energy: -625.386 Base-Backbone interact. energy: -1.355 local terms energy: -675.464332 where: bonds (distance) C4'-P energy: -128.127 bonds (distance) P-C4' energy: -140.266 flat angles C4'-P-C4' energy: -139.168 flat angles P-C4'-P energy: -99.191 tors. eta vs tors. theta energy: -168.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2071.048089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.048089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.048089 (E_RNA) where: Base-Base interactions energy: -1385.934 where: short stacking energy: -600.908 Base-Backbone interact. energy: -1.661 local terms energy: -683.453190 where: bonds (distance) C4'-P energy: -134.953 bonds (distance) P-C4' energy: -130.553 flat angles C4'-P-C4' energy: -144.345 flat angles P-C4'-P energy: -110.222 tors. eta vs tors. theta energy: -163.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1878.047968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.047968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.047968 (E_RNA) where: Base-Base interactions energy: -1271.756 where: short stacking energy: -573.600 Base-Backbone interact. energy: 6.772 local terms energy: -613.063516 where: bonds (distance) C4'-P energy: -124.695 bonds (distance) P-C4' energy: -122.199 flat angles C4'-P-C4' energy: -132.974 flat angles P-C4'-P energy: -90.996 tors. eta vs tors. theta energy: -142.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1522.430624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.430624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.430624 (E_RNA) where: Base-Base interactions energy: -1015.867 where: short stacking energy: -451.621 Base-Backbone interact. energy: 0.250 local terms energy: -506.813480 where: bonds (distance) C4'-P energy: -102.077 bonds (distance) P-C4' energy: -120.041 flat angles C4'-P-C4' energy: -128.550 flat angles P-C4'-P energy: -61.289 tors. eta vs tors. theta energy: -94.857 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: 2 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1339.849577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.849577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.849577 (E_RNA) where: Base-Base interactions energy: -832.056 where: short stacking energy: -381.734 Base-Backbone interact. energy: 5.848 local terms energy: -513.641075 where: bonds (distance) C4'-P energy: -121.544 bonds (distance) P-C4' energy: -115.530 flat angles C4'-P-C4' energy: -111.337 flat angles P-C4'-P energy: -96.132 tors. eta vs tors. theta energy: -69.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -746.430969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.430969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.430969 (E_RNA) where: Base-Base interactions energy: -379.349 where: short stacking energy: -227.808 Base-Backbone interact. energy: -0.345 local terms energy: -366.736801 where: bonds (distance) C4'-P energy: -100.975 bonds (distance) P-C4' energy: -106.303 flat angles C4'-P-C4' energy: -111.048 flat angles P-C4'-P energy: -57.495 tors. eta vs tors. theta energy: 9.084 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: 1, replica: 4 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2661.795640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.795640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.795640 (E_RNA) where: Base-Base interactions energy: -1858.767 where: short stacking energy: -794.171 Base-Backbone interact. energy: -4.375 local terms energy: -798.653282 where: bonds (distance) C4'-P energy: -153.691 bonds (distance) P-C4' energy: -134.607 flat angles C4'-P-C4' energy: -171.248 flat angles P-C4'-P energy: -111.112 tors. eta vs tors. theta energy: -227.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2565.317851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.317851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.317851 (E_RNA) where: Base-Base interactions energy: -1762.714 where: short stacking energy: -770.916 Base-Backbone interact. energy: -3.816 local terms energy: -798.787799 where: bonds (distance) C4'-P energy: -135.601 bonds (distance) P-C4' energy: -145.489 flat angles C4'-P-C4' energy: -173.739 flat angles P-C4'-P energy: -110.368 tors. eta vs tors. theta energy: -233.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2476.984376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.984376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.984376 (E_RNA) where: Base-Base interactions energy: -1724.112 where: short stacking energy: -744.758 Base-Backbone interact. energy: -2.995 local terms energy: -749.877900 where: bonds (distance) C4'-P energy: -133.024 bonds (distance) P-C4' energy: -127.724 flat angles C4'-P-C4' energy: -162.199 flat angles P-C4'-P energy: -104.680 tors. eta vs tors. theta energy: -222.252 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: 419 Temperature: 1.050000 Total energy: -2232.077324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.077324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.077324 (E_RNA) where: Base-Base interactions energy: -1523.197 where: short stacking energy: -662.365 Base-Backbone interact. energy: -2.614 local terms energy: -706.266192 where: bonds (distance) C4'-P energy: -133.409 bonds (distance) P-C4' energy: -135.415 flat angles C4'-P-C4' energy: -158.262 flat angles P-C4'-P energy: -100.563 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: 5, replica: 3 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2190.217339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.217339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.217339 (E_RNA) where: Base-Base interactions energy: -1511.052 where: short stacking energy: -674.811 Base-Backbone interact. energy: -1.349 local terms energy: -677.816523 where: bonds (distance) C4'-P energy: -126.314 bonds (distance) P-C4' energy: -135.117 flat angles C4'-P-C4' energy: -156.782 flat angles P-C4'-P energy: -81.084 tors. eta vs tors. theta energy: -178.520 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: 6 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2082.991227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.991227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.991227 (E_RNA) where: Base-Base interactions energy: -1380.080 where: short stacking energy: -613.122 Base-Backbone interact. energy: -3.493 local terms energy: -699.418415 where: bonds (distance) C4'-P energy: -128.884 bonds (distance) P-C4' energy: -143.872 flat angles C4'-P-C4' energy: -158.533 flat angles P-C4'-P energy: -86.642 tors. eta vs tors. theta energy: -181.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1861.196038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.196038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.196038 (E_RNA) where: Base-Base interactions energy: -1252.948 where: short stacking energy: -549.650 Base-Backbone interact. energy: -0.983 local terms energy: -607.264935 where: bonds (distance) C4'-P energy: -119.418 bonds (distance) P-C4' energy: -134.885 flat angles C4'-P-C4' energy: -144.968 flat angles P-C4'-P energy: -70.873 tors. eta vs tors. theta energy: -137.122 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: 419 Temperature: 1.250000 Total energy: -1498.890954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.890954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.890954 (E_RNA) where: Base-Base interactions energy: -930.570 where: short stacking energy: -401.437 Base-Backbone interact. energy: -0.582 local terms energy: -567.738896 where: bonds (distance) C4'-P energy: -125.768 bonds (distance) P-C4' energy: -131.856 flat angles C4'-P-C4' energy: -126.622 flat angles P-C4'-P energy: -90.287 tors. eta vs tors. theta energy: -93.205 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: 2 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1322.204379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.204379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.204379 (E_RNA) where: Base-Base interactions energy: -828.504 where: short stacking energy: -388.507 Base-Backbone interact. energy: 3.263 local terms energy: -496.963348 where: bonds (distance) C4'-P energy: -110.938 bonds (distance) P-C4' energy: -101.975 flat angles C4'-P-C4' energy: -136.196 flat angles P-C4'-P energy: -67.819 tors. eta vs tors. theta energy: -80.036 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: 5 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -792.482140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.482140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.482140 (E_RNA) where: Base-Base interactions energy: -373.358 where: short stacking energy: -195.015 Base-Backbone interact. energy: 7.977 local terms energy: -427.101482 where: bonds (distance) C4'-P energy: -123.145 bonds (distance) P-C4' energy: -146.147 flat angles C4'-P-C4' energy: -122.308 flat angles P-C4'-P energy: -54.240 tors. eta vs tors. theta energy: 18.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2633.915663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.915663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.915663 (E_RNA) where: Base-Base interactions energy: -1837.709 where: short stacking energy: -800.298 Base-Backbone interact. energy: -3.713 local terms energy: -792.493755 where: bonds (distance) C4'-P energy: -145.704 bonds (distance) P-C4' energy: -139.886 flat angles C4'-P-C4' energy: -171.305 flat angles P-C4'-P energy: -104.115 tors. eta vs tors. theta energy: -231.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2564.027374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.027374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.027374 (E_RNA) where: Base-Base interactions energy: -1775.802 where: short stacking energy: -780.741 Base-Backbone interact. energy: -1.370 local terms energy: -786.855362 where: bonds (distance) C4'-P energy: -134.222 bonds (distance) P-C4' energy: -139.811 flat angles C4'-P-C4' energy: -172.008 flat angles P-C4'-P energy: -110.009 tors. eta vs tors. theta energy: -230.805 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: 8 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2464.183773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.183773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.183773 (E_RNA) where: Base-Base interactions energy: -1725.377 where: short stacking energy: -712.030 Base-Backbone interact. energy: -3.974 local terms energy: -734.832616 where: bonds (distance) C4'-P energy: -129.062 bonds (distance) P-C4' energy: -137.922 flat angles C4'-P-C4' energy: -162.393 flat angles P-C4'-P energy: -97.073 tors. eta vs tors. theta energy: -208.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2253.166013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.166013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.166013 (E_RNA) where: Base-Base interactions energy: -1529.365 where: short stacking energy: -667.400 Base-Backbone interact. energy: -0.436 local terms energy: -723.365096 where: bonds (distance) C4'-P energy: -133.327 bonds (distance) P-C4' energy: -134.322 flat angles C4'-P-C4' energy: -168.782 flat angles P-C4'-P energy: -108.588 tors. eta vs tors. theta energy: -178.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2139.514758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.514758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.514758 (E_RNA) where: Base-Base interactions energy: -1453.487 where: short stacking energy: -623.650 Base-Backbone interact. energy: 3.386 local terms energy: -689.413688 where: bonds (distance) C4'-P energy: -148.816 bonds (distance) P-C4' energy: -127.285 flat angles C4'-P-C4' energy: -155.908 flat angles P-C4'-P energy: -95.848 tors. eta vs tors. theta energy: -161.556 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: 3 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2129.975157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.975157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.975157 (E_RNA) where: Base-Base interactions energy: -1473.039 where: short stacking energy: -621.785 Base-Backbone interact. energy: -3.186 local terms energy: -653.749333 where: bonds (distance) C4'-P energy: -131.873 bonds (distance) P-C4' energy: -108.218 flat angles C4'-P-C4' energy: -143.710 flat angles P-C4'-P energy: -90.114 tors. eta vs tors. theta energy: -179.834 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: 9 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1850.517096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.517096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.517096 (E_RNA) where: Base-Base interactions energy: -1228.368 where: short stacking energy: -530.521 Base-Backbone interact. energy: 4.588 local terms energy: -626.737360 where: bonds (distance) C4'-P energy: -121.936 bonds (distance) P-C4' energy: -135.407 flat angles C4'-P-C4' energy: -139.555 flat angles P-C4'-P energy: -96.055 tors. eta vs tors. theta energy: -133.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1444.129552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.129552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.129552 (E_RNA) where: Base-Base interactions energy: -916.183 where: short stacking energy: -404.395 Base-Backbone interact. energy: -1.285 local terms energy: -526.661157 where: bonds (distance) C4'-P energy: -119.786 bonds (distance) P-C4' energy: -113.799 flat angles C4'-P-C4' energy: -134.145 flat angles P-C4'-P energy: -78.629 tors. eta vs tors. theta energy: -80.301 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: 2 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1277.906132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.906132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.906132 (E_RNA) where: Base-Base interactions energy: -789.169 where: short stacking energy: -349.012 Base-Backbone interact. energy: 1.459 local terms energy: -490.195830 where: bonds (distance) C4'-P energy: -120.372 bonds (distance) P-C4' energy: -130.079 flat angles C4'-P-C4' energy: -134.342 flat angles P-C4'-P energy: -63.222 tors. eta vs tors. theta energy: -42.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -816.998099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.998099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.998099 (E_RNA) where: Base-Base interactions energy: -415.135 where: short stacking energy: -239.596 Base-Backbone interact. energy: -3.008 local terms energy: -398.855453 where: bonds (distance) C4'-P energy: -116.129 bonds (distance) P-C4' energy: -118.838 flat angles C4'-P-C4' energy: -112.157 flat angles P-C4'-P energy: -54.475 tors. eta vs tors. theta energy: 2.743 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: 4 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2629.080390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.080390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.080390 (E_RNA) where: Base-Base interactions energy: -1808.994 where: short stacking energy: -789.106 Base-Backbone interact. energy: -3.728 local terms energy: -816.357882 where: bonds (distance) C4'-P energy: -159.411 bonds (distance) P-C4' energy: -147.590 flat angles C4'-P-C4' energy: -166.234 flat angles P-C4'-P energy: -110.201 tors. eta vs tors. theta energy: -232.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2565.414802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.414802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.414802 (E_RNA) where: Base-Base interactions energy: -1757.946 where: short stacking energy: -776.980 Base-Backbone interact. energy: -2.313 local terms energy: -805.156515 where: bonds (distance) C4'-P energy: -142.158 bonds (distance) P-C4' energy: -153.477 flat angles C4'-P-C4' energy: -166.535 flat angles P-C4'-P energy: -108.883 tors. eta vs tors. theta energy: -234.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2448.288272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.288272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.288272 (E_RNA) where: Base-Base interactions energy: -1690.248 where: short stacking energy: -718.610 Base-Backbone interact. energy: -1.373 local terms energy: -756.667463 where: bonds (distance) C4'-P energy: -133.702 bonds (distance) P-C4' energy: -141.533 flat angles C4'-P-C4' energy: -160.303 flat angles P-C4'-P energy: -98.742 tors. eta vs tors. theta energy: -222.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2253.440153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.440153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.440153 (E_RNA) where: Base-Base interactions energy: -1547.100 where: short stacking energy: -656.725 Base-Backbone interact. energy: -2.745 local terms energy: -703.595762 where: bonds (distance) C4'-P energy: -133.149 bonds (distance) P-C4' energy: -146.834 flat angles C4'-P-C4' energy: -156.647 flat angles P-C4'-P energy: -71.900 tors. eta vs tors. theta energy: -195.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2136.687373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.687373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.687373 (E_RNA) where: Base-Base interactions energy: -1442.623 where: short stacking energy: -652.603 Base-Backbone interact. energy: -2.708 local terms energy: -691.356847 where: bonds (distance) C4'-P energy: -127.881 bonds (distance) P-C4' energy: -134.067 flat angles C4'-P-C4' energy: -152.312 flat angles P-C4'-P energy: -108.846 tors. eta vs tors. theta energy: -168.250 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: 3 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2056.385715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.385715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.385715 (E_RNA) where: Base-Base interactions energy: -1439.382 where: short stacking energy: -606.525 Base-Backbone interact. energy: -2.477 local terms energy: -614.526886 where: bonds (distance) C4'-P energy: -96.342 bonds (distance) P-C4' energy: -116.811 flat angles C4'-P-C4' energy: -152.553 flat angles P-C4'-P energy: -81.130 tors. eta vs tors. theta energy: -167.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1784.663301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.663301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.663301 (E_RNA) where: Base-Base interactions energy: -1178.844 where: short stacking energy: -524.830 Base-Backbone interact. energy: -1.715 local terms energy: -604.104202 where: bonds (distance) C4'-P energy: -113.148 bonds (distance) P-C4' energy: -129.247 flat angles C4'-P-C4' energy: -146.425 flat angles P-C4'-P energy: -90.995 tors. eta vs tors. theta energy: -124.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1587.081935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.081935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.081935 (E_RNA) where: Base-Base interactions energy: -1016.447 where: short stacking energy: -479.783 Base-Backbone interact. energy: -5.061 local terms energy: -565.573660 where: bonds (distance) C4'-P energy: -101.186 bonds (distance) P-C4' energy: -140.491 flat angles C4'-P-C4' energy: -132.216 flat angles P-C4'-P energy: -82.276 tors. eta vs tors. theta energy: -109.404 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: 9, replica: 2 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1207.869466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.869466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.869466 (E_RNA) where: Base-Base interactions energy: -722.186 where: short stacking energy: -341.929 Base-Backbone interact. energy: 6.377 local terms energy: -492.060173 where: bonds (distance) C4'-P energy: -128.045 bonds (distance) P-C4' energy: -138.347 flat angles C4'-P-C4' energy: -116.747 flat angles P-C4'-P energy: -67.838 tors. eta vs tors. theta energy: -41.083 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: 5 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -772.071306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.071306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.071306 (E_RNA) where: Base-Base interactions energy: -408.014 where: short stacking energy: -246.736 Base-Backbone interact. energy: 8.638 local terms energy: -372.694920 where: bonds (distance) C4'-P energy: -99.507 bonds (distance) P-C4' energy: -102.656 flat angles C4'-P-C4' energy: -96.136 flat angles P-C4'-P energy: -76.439 tors. eta vs tors. theta energy: 2.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2615.561589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.561589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.561589 (E_RNA) where: Base-Base interactions energy: -1833.619 where: short stacking energy: -784.166 Base-Backbone interact. energy: 1.029 local terms energy: -782.972273 where: bonds (distance) C4'-P energy: -131.603 bonds (distance) P-C4' energy: -141.251 flat angles C4'-P-C4' energy: -171.535 flat angles P-C4'-P energy: -108.255 tors. eta vs tors. theta energy: -230.328 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: 1 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2577.973511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.973511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.973511 (E_RNA) where: Base-Base interactions energy: -1776.212 where: short stacking energy: -783.296 Base-Backbone interact. energy: -2.170 local terms energy: -799.591721 where: bonds (distance) C4'-P energy: -151.446 bonds (distance) P-C4' energy: -140.432 flat angles C4'-P-C4' energy: -160.320 flat angles P-C4'-P energy: -104.421 tors. eta vs tors. theta energy: -242.972 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: 8 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2466.930449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.930449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.930449 (E_RNA) where: Base-Base interactions energy: -1709.128 where: short stacking energy: -716.395 Base-Backbone interact. energy: -3.479 local terms energy: -754.323623 where: bonds (distance) C4'-P energy: -144.343 bonds (distance) P-C4' energy: -142.836 flat angles C4'-P-C4' energy: -167.249 flat angles P-C4'-P energy: -89.972 tors. eta vs tors. theta energy: -209.924 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: 422 Temperature: 1.050000 Total energy: -2263.218332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.218332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.218332 (E_RNA) where: Base-Base interactions energy: -1539.251 where: short stacking energy: -677.695 Base-Backbone interact. energy: -0.066 local terms energy: -723.901313 where: bonds (distance) C4'-P energy: -143.384 bonds (distance) P-C4' energy: -129.739 flat angles C4'-P-C4' energy: -154.434 flat angles P-C4'-P energy: -103.526 tors. eta vs tors. theta energy: -192.818 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: 5, replica: 6 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2101.682049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.682049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.682049 (E_RNA) where: Base-Base interactions energy: -1472.409 where: short stacking energy: -634.967 Base-Backbone interact. energy: -0.614 local terms energy: -628.658985 where: bonds (distance) C4'-P energy: -98.627 bonds (distance) P-C4' energy: -136.070 flat angles C4'-P-C4' energy: -156.786 flat angles P-C4'-P energy: -81.351 tors. eta vs tors. theta energy: -155.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2009.787015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.787015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.787015 (E_RNA) where: Base-Base interactions energy: -1370.472 where: short stacking energy: -575.280 Base-Backbone interact. energy: -2.538 local terms energy: -636.776624 where: bonds (distance) C4'-P energy: -107.586 bonds (distance) P-C4' energy: -145.106 flat angles C4'-P-C4' energy: -133.005 flat angles P-C4'-P energy: -110.574 tors. eta vs tors. theta energy: -140.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1839.315523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.315523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.315523 (E_RNA) where: Base-Base interactions energy: -1213.257 where: short stacking energy: -532.368 Base-Backbone interact. energy: 2.064 local terms energy: -628.122606 where: bonds (distance) C4'-P energy: -125.369 bonds (distance) P-C4' energy: -120.967 flat angles C4'-P-C4' energy: -137.025 flat angles P-C4'-P energy: -100.848 tors. eta vs tors. theta energy: -143.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1516.945712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.945712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.945712 (E_RNA) where: Base-Base interactions energy: -983.858 where: short stacking energy: -470.844 Base-Backbone interact. energy: 10.902 local terms energy: -543.989419 where: bonds (distance) C4'-P energy: -119.091 bonds (distance) P-C4' energy: -107.059 flat angles C4'-P-C4' energy: -137.501 flat angles P-C4'-P energy: -65.145 tors. eta vs tors. theta energy: -115.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1224.083134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.083134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.083134 (E_RNA) where: Base-Base interactions energy: -719.385 where: short stacking energy: -335.398 Base-Backbone interact. energy: -3.851 local terms energy: -500.847151 where: bonds (distance) C4'-P energy: -110.301 bonds (distance) P-C4' energy: -132.458 flat angles C4'-P-C4' energy: -125.377 flat angles P-C4'-P energy: -88.373 tors. eta vs tors. theta energy: -44.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -730.352686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.352686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.352686 (E_RNA) where: Base-Base interactions energy: -327.684 where: short stacking energy: -176.323 Base-Backbone interact. energy: -1.460 local terms energy: -401.208823 where: bonds (distance) C4'-P energy: -117.610 bonds (distance) P-C4' energy: -113.131 flat angles C4'-P-C4' energy: -116.543 flat angles P-C4'-P energy: -64.544 tors. eta vs tors. theta energy: 10.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2679.636084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.636084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.636084 (E_RNA) where: Base-Base interactions energy: -1853.325 where: short stacking energy: -808.377 Base-Backbone interact. energy: -7.015 local terms energy: -819.296085 where: bonds (distance) C4'-P energy: -136.854 bonds (distance) P-C4' energy: -152.717 flat angles C4'-P-C4' energy: -179.242 flat angles P-C4'-P energy: -113.487 tors. eta vs tors. theta energy: -236.996 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: 1 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2610.551305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.551305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.551305 (E_RNA) where: Base-Base interactions energy: -1785.870 where: short stacking energy: -780.978 Base-Backbone interact. energy: -1.814 local terms energy: -822.867200 where: bonds (distance) C4'-P energy: -132.020 bonds (distance) P-C4' energy: -156.933 flat angles C4'-P-C4' energy: -181.837 flat angles P-C4'-P energy: -117.187 tors. eta vs tors. theta energy: -234.890 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: 8 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2472.176390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.176390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.176390 (E_RNA) where: Base-Base interactions energy: -1725.445 where: short stacking energy: -727.269 Base-Backbone interact. energy: -4.769 local terms energy: -741.962607 where: bonds (distance) C4'-P energy: -125.313 bonds (distance) P-C4' energy: -144.031 flat angles C4'-P-C4' energy: -156.479 flat angles P-C4'-P energy: -102.113 tors. eta vs tors. theta energy: -214.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2266.966093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.966093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.966093 (E_RNA) where: Base-Base interactions energy: -1540.081 where: short stacking energy: -664.433 Base-Backbone interact. energy: -1.683 local terms energy: -725.201870 where: bonds (distance) C4'-P energy: -126.740 bonds (distance) P-C4' energy: -131.252 flat angles C4'-P-C4' energy: -163.101 flat angles P-C4'-P energy: -108.907 tors. eta vs tors. theta energy: -195.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2162.024273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.024273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.024273 (E_RNA) where: Base-Base interactions energy: -1478.419 where: short stacking energy: -660.010 Base-Backbone interact. energy: 1.071 local terms energy: -684.676512 where: bonds (distance) C4'-P energy: -127.413 bonds (distance) P-C4' energy: -127.056 flat angles C4'-P-C4' energy: -151.374 flat angles P-C4'-P energy: -104.411 tors. eta vs tors. theta energy: -174.422 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: 3 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2023.261253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.261253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.261253 (E_RNA) where: Base-Base interactions energy: -1361.255 where: short stacking energy: -562.531 Base-Backbone interact. energy: 3.200 local terms energy: -665.205551 where: bonds (distance) C4'-P energy: -144.483 bonds (distance) P-C4' energy: -129.819 flat angles C4'-P-C4' energy: -140.495 flat angles P-C4'-P energy: -102.211 tors. eta vs tors. theta energy: -148.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1861.376306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.376306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.376306 (E_RNA) where: Base-Base interactions energy: -1251.919 where: short stacking energy: -564.469 Base-Backbone interact. energy: -1.230 local terms energy: -608.227793 where: bonds (distance) C4'-P energy: -118.889 bonds (distance) P-C4' energy: -126.963 flat angles C4'-P-C4' energy: -149.107 flat angles P-C4'-P energy: -81.704 tors. eta vs tors. theta energy: -131.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1510.266249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.266249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.266249 (E_RNA) where: Base-Base interactions energy: -994.837 where: short stacking energy: -415.662 Base-Backbone interact. energy: -0.426 local terms energy: -515.002476 where: bonds (distance) C4'-P energy: -122.329 bonds (distance) P-C4' energy: -118.575 flat angles C4'-P-C4' energy: -117.540 flat angles P-C4'-P energy: -80.659 tors. eta vs tors. theta energy: -75.899 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: 2 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1162.367531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.367531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.367531 (E_RNA) where: Base-Base interactions energy: -676.271 where: short stacking energy: -343.040 Base-Backbone interact. energy: -3.798 local terms energy: -482.299004 where: bonds (distance) C4'-P energy: -114.910 bonds (distance) P-C4' energy: -137.155 flat angles C4'-P-C4' energy: -131.734 flat angles P-C4'-P energy: -54.068 tors. eta vs tors. theta energy: -44.432 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: 5 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -809.947936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.947936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.947936 (E_RNA) where: Base-Base interactions energy: -405.748 where: short stacking energy: -228.142 Base-Backbone interact. energy: 3.692 local terms energy: -407.891739 where: bonds (distance) C4'-P energy: -93.291 bonds (distance) P-C4' energy: -119.486 flat angles C4'-P-C4' energy: -133.402 flat angles P-C4'-P energy: -43.983 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: 1, replica: 4 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2644.968811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.968811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.968811 (E_RNA) where: Base-Base interactions energy: -1851.573 where: short stacking energy: -809.867 Base-Backbone interact. energy: -4.791 local terms energy: -788.605076 where: bonds (distance) C4'-P energy: -140.763 bonds (distance) P-C4' energy: -139.311 flat angles C4'-P-C4' energy: -164.396 flat angles P-C4'-P energy: -115.572 tors. eta vs tors. theta energy: -228.564 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: 1 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2574.459973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.459973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.459973 (E_RNA) where: Base-Base interactions energy: -1778.100 where: short stacking energy: -788.877 Base-Backbone interact. energy: 2.921 local terms energy: -799.281154 where: bonds (distance) C4'-P energy: -131.028 bonds (distance) P-C4' energy: -145.417 flat angles C4'-P-C4' energy: -171.248 flat angles P-C4'-P energy: -110.602 tors. eta vs tors. theta energy: -240.986 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: 8 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2454.256759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.256759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.256759 (E_RNA) where: Base-Base interactions energy: -1695.231 where: short stacking energy: -673.882 Base-Backbone interact. energy: 0.857 local terms energy: -759.882628 where: bonds (distance) C4'-P energy: -140.951 bonds (distance) P-C4' energy: -145.756 flat angles C4'-P-C4' energy: -170.151 flat angles P-C4'-P energy: -91.262 tors. eta vs tors. theta energy: -211.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2289.200607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.200607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.200607 (E_RNA) where: Base-Base interactions energy: -1540.553 where: short stacking energy: -669.186 Base-Backbone interact. energy: -3.992 local terms energy: -744.655886 where: bonds (distance) C4'-P energy: -140.363 bonds (distance) P-C4' energy: -154.289 flat angles C4'-P-C4' energy: -148.976 flat angles P-C4'-P energy: -102.803 tors. eta vs tors. theta energy: -198.224 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: 6 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2170.881778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.881778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.881778 (E_RNA) where: Base-Base interactions energy: -1482.076 where: short stacking energy: -642.201 Base-Backbone interact. energy: -2.939 local terms energy: -685.866965 where: bonds (distance) C4'-P energy: -138.620 bonds (distance) P-C4' energy: -138.561 flat angles C4'-P-C4' energy: -152.789 flat angles P-C4'-P energy: -85.676 tors. eta vs tors. theta energy: -170.220 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: 3 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2037.333709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.333709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.333709 (E_RNA) where: Base-Base interactions energy: -1390.177 where: short stacking energy: -601.511 Base-Backbone interact. energy: -2.203 local terms energy: -644.953329 where: bonds (distance) C4'-P energy: -111.874 bonds (distance) P-C4' energy: -125.182 flat angles C4'-P-C4' energy: -152.377 flat angles P-C4'-P energy: -89.539 tors. eta vs tors. theta energy: -165.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1903.013200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.013200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.013200 (E_RNA) where: Base-Base interactions energy: -1288.093 where: short stacking energy: -559.927 Base-Backbone interact. energy: 0.490 local terms energy: -615.409936 where: bonds (distance) C4'-P energy: -143.122 bonds (distance) P-C4' energy: -125.685 flat angles C4'-P-C4' energy: -130.201 flat angles P-C4'-P energy: -82.456 tors. eta vs tors. theta energy: -133.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1435.472972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.472972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.472972 (E_RNA) where: Base-Base interactions energy: -896.346 where: short stacking energy: -415.377 Base-Backbone interact. energy: 1.884 local terms energy: -541.011301 where: bonds (distance) C4'-P energy: -114.521 bonds (distance) P-C4' energy: -110.394 flat angles C4'-P-C4' energy: -136.847 flat angles P-C4'-P energy: -92.311 tors. eta vs tors. theta energy: -86.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1092.620239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.620239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.620239 (E_RNA) where: Base-Base interactions energy: -614.601 where: short stacking energy: -313.563 Base-Backbone interact. energy: 0.227 local terms energy: -478.246791 where: bonds (distance) C4'-P energy: -121.975 bonds (distance) P-C4' energy: -130.790 flat angles C4'-P-C4' energy: -110.148 flat angles P-C4'-P energy: -69.971 tors. eta vs tors. theta energy: -45.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -753.113530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.113530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.113530 (E_RNA) where: Base-Base interactions energy: -347.941 where: short stacking energy: -196.741 Base-Backbone interact. energy: 1.331 local terms energy: -406.503755 where: bonds (distance) C4'-P energy: -95.530 bonds (distance) P-C4' energy: -124.500 flat angles C4'-P-C4' energy: -129.742 flat angles P-C4'-P energy: -69.508 tors. eta vs tors. theta energy: 12.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2628.648664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.648664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.648664 (E_RNA) where: Base-Base interactions energy: -1841.190 where: short stacking energy: -778.988 Base-Backbone interact. energy: -0.137 local terms energy: -787.320864 where: bonds (distance) C4'-P energy: -148.541 bonds (distance) P-C4' energy: -141.396 flat angles C4'-P-C4' energy: -161.036 flat angles P-C4'-P energy: -105.124 tors. eta vs tors. theta energy: -231.225 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: 1 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2582.807139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.807139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.807139 (E_RNA) where: Base-Base interactions energy: -1768.411 where: short stacking energy: -797.795 Base-Backbone interact. energy: 1.257 local terms energy: -815.653007 where: bonds (distance) C4'-P energy: -145.600 bonds (distance) P-C4' energy: -152.283 flat angles C4'-P-C4' energy: -166.846 flat angles P-C4'-P energy: -111.460 tors. eta vs tors. theta energy: -239.465 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: 8 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2428.424103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.424103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.424103 (E_RNA) where: Base-Base interactions energy: -1689.742 where: short stacking energy: -727.015 Base-Backbone interact. energy: -1.362 local terms energy: -737.319911 where: bonds (distance) C4'-P energy: -140.796 bonds (distance) P-C4' energy: -138.607 flat angles C4'-P-C4' energy: -155.106 flat angles P-C4'-P energy: -87.334 tors. eta vs tors. theta energy: -215.477 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: 425 Temperature: 1.050000 Total energy: -2300.807863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.807863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.807863 (E_RNA) where: Base-Base interactions energy: -1536.272 where: short stacking energy: -667.593 Base-Backbone interact. energy: -1.323 local terms energy: -763.212933 where: bonds (distance) C4'-P energy: -148.420 bonds (distance) P-C4' energy: -150.897 flat angles C4'-P-C4' energy: -156.964 flat angles P-C4'-P energy: -109.545 tors. eta vs tors. theta energy: -197.388 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: 6 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2194.438201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.438201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.438201 (E_RNA) where: Base-Base interactions energy: -1491.361 where: short stacking energy: -628.575 Base-Backbone interact. energy: -4.263 local terms energy: -698.814044 where: bonds (distance) C4'-P energy: -121.708 bonds (distance) P-C4' energy: -134.205 flat angles C4'-P-C4' energy: -155.260 flat angles P-C4'-P energy: -110.493 tors. eta vs tors. theta energy: -177.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2000.949694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.949694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.949694 (E_RNA) where: Base-Base interactions energy: -1384.858 where: short stacking energy: -576.381 Base-Backbone interact. energy: -1.500 local terms energy: -614.591260 where: bonds (distance) C4'-P energy: -134.496 bonds (distance) P-C4' energy: -116.690 flat angles C4'-P-C4' energy: -140.307 flat angles P-C4'-P energy: -78.680 tors. eta vs tors. theta energy: -144.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1874.960593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.960593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.960593 (E_RNA) where: Base-Base interactions energy: -1273.349 where: short stacking energy: -559.394 Base-Backbone interact. energy: -0.896 local terms energy: -600.715345 where: bonds (distance) C4'-P energy: -112.777 bonds (distance) P-C4' energy: -129.136 flat angles C4'-P-C4' energy: -143.741 flat angles P-C4'-P energy: -78.482 tors. eta vs tors. theta energy: -136.579 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: 10 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1409.303425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.303425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.303425 (E_RNA) where: Base-Base interactions energy: -907.388 where: short stacking energy: -422.636 Base-Backbone interact. energy: -0.392 local terms energy: -501.523472 where: bonds (distance) C4'-P energy: -113.912 bonds (distance) P-C4' energy: -130.646 flat angles C4'-P-C4' energy: -119.506 flat angles P-C4'-P energy: -64.065 tors. eta vs tors. theta energy: -73.394 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: 2 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1134.125702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.125702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.125702 (E_RNA) where: Base-Base interactions energy: -665.249 where: short stacking energy: -349.351 Base-Backbone interact. energy: -0.825 local terms energy: -468.051459 where: bonds (distance) C4'-P energy: -119.876 bonds (distance) P-C4' energy: -124.201 flat angles C4'-P-C4' energy: -104.903 flat angles P-C4'-P energy: -68.678 tors. eta vs tors. theta energy: -50.393 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: 5 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -780.103942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.103942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.103942 (E_RNA) where: Base-Base interactions energy: -372.821 where: short stacking energy: -229.569 Base-Backbone interact. energy: 0.454 local terms energy: -407.737186 where: bonds (distance) C4'-P energy: -99.526 bonds (distance) P-C4' energy: -135.162 flat angles C4'-P-C4' energy: -103.191 flat angles P-C4'-P energy: -68.626 tors. eta vs tors. theta energy: -1.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2659.036469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.036469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.036469 (E_RNA) where: Base-Base interactions energy: -1853.493 where: short stacking energy: -829.754 Base-Backbone interact. energy: -0.514 local terms energy: -805.029197 where: bonds (distance) C4'-P energy: -147.340 bonds (distance) P-C4' energy: -144.478 flat angles C4'-P-C4' energy: -169.504 flat angles P-C4'-P energy: -108.259 tors. eta vs tors. theta energy: -235.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2580.326665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.326665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.326665 (E_RNA) where: Base-Base interactions energy: -1791.139 where: short stacking energy: -780.585 Base-Backbone interact. energy: -1.817 local terms energy: -787.370703 where: bonds (distance) C4'-P energy: -124.586 bonds (distance) P-C4' energy: -143.249 flat angles C4'-P-C4' energy: -174.734 flat angles P-C4'-P energy: -121.356 tors. eta vs tors. theta energy: -223.446 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: 3, replica: 8 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2455.723849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.723849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.723849 (E_RNA) where: Base-Base interactions energy: -1708.077 where: short stacking energy: -746.153 Base-Backbone interact. energy: 8.485 local terms energy: -756.132001 where: bonds (distance) C4'-P energy: -137.438 bonds (distance) P-C4' energy: -140.157 flat angles C4'-P-C4' energy: -149.396 flat angles P-C4'-P energy: -111.800 tors. eta vs tors. theta energy: -217.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2255.444223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.444223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.444223 (E_RNA) where: Base-Base interactions energy: -1540.821 where: short stacking energy: -661.334 Base-Backbone interact. energy: -1.387 local terms energy: -713.236206 where: bonds (distance) C4'-P energy: -145.406 bonds (distance) P-C4' energy: -134.996 flat angles C4'-P-C4' energy: -146.103 flat angles P-C4'-P energy: -100.237 tors. eta vs tors. theta energy: -186.494 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: 6 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2178.856213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.856213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.856213 (E_RNA) where: Base-Base interactions energy: -1488.405 where: short stacking energy: -629.775 Base-Backbone interact. energy: 3.042 local terms energy: -693.492719 where: bonds (distance) C4'-P energy: -124.539 bonds (distance) P-C4' energy: -144.819 flat angles C4'-P-C4' energy: -140.609 flat angles P-C4'-P energy: -104.815 tors. eta vs tors. theta energy: -178.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1971.877734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.877734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.877734 (E_RNA) where: Base-Base interactions energy: -1344.334 where: short stacking energy: -578.651 Base-Backbone interact. energy: -0.861 local terms energy: -626.682937 where: bonds (distance) C4'-P energy: -132.030 bonds (distance) P-C4' energy: -132.284 flat angles C4'-P-C4' energy: -134.821 flat angles P-C4'-P energy: -79.683 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: 9 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1849.038431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.038431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.038431 (E_RNA) where: Base-Base interactions energy: -1223.634 where: short stacking energy: -546.871 Base-Backbone interact. energy: -0.734 local terms energy: -624.671176 where: bonds (distance) C4'-P energy: -123.088 bonds (distance) P-C4' energy: -126.664 flat angles C4'-P-C4' energy: -142.575 flat angles P-C4'-P energy: -90.225 tors. eta vs tors. theta energy: -142.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1466.196059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.196059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.196059 (E_RNA) where: Base-Base interactions energy: -951.570 where: short stacking energy: -426.889 Base-Backbone interact. energy: -0.054 local terms energy: -514.571796 where: bonds (distance) C4'-P energy: -122.960 bonds (distance) P-C4' energy: -118.004 flat angles C4'-P-C4' energy: -119.280 flat angles P-C4'-P energy: -77.310 tors. eta vs tors. theta energy: -77.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1177.148794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.148794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.148794 (E_RNA) where: Base-Base interactions energy: -700.205 where: short stacking energy: -336.226 Base-Backbone interact. energy: -1.095 local terms energy: -475.849152 where: bonds (distance) C4'-P energy: -106.140 bonds (distance) P-C4' energy: -140.721 flat angles C4'-P-C4' energy: -114.429 flat angles P-C4'-P energy: -66.556 tors. eta vs tors. theta energy: -48.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -781.287747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.287747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.287747 (E_RNA) where: Base-Base interactions energy: -371.912 where: short stacking energy: -221.965 Base-Backbone interact. energy: -2.501 local terms energy: -406.874215 where: bonds (distance) C4'-P energy: -113.410 bonds (distance) P-C4' energy: -134.151 flat angles C4'-P-C4' energy: -95.489 flat angles P-C4'-P energy: -77.950 tors. eta vs tors. theta energy: 14.126 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: 1, replica: 4 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2665.457505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.457505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.457505 (E_RNA) where: Base-Base interactions energy: -1855.835 where: short stacking energy: -792.622 Base-Backbone interact. energy: -5.664 local terms energy: -803.958217 where: bonds (distance) C4'-P energy: -146.522 bonds (distance) P-C4' energy: -149.367 flat angles C4'-P-C4' energy: -168.105 flat angles P-C4'-P energy: -111.220 tors. eta vs tors. theta energy: -228.744 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: 2, replica: 1 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2621.825600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.825600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.825600 (E_RNA) where: Base-Base interactions energy: -1821.459 where: short stacking energy: -791.260 Base-Backbone interact. energy: 0.534 local terms energy: -800.899932 where: bonds (distance) C4'-P energy: -149.060 bonds (distance) P-C4' energy: -135.802 flat angles C4'-P-C4' energy: -162.503 flat angles P-C4'-P energy: -117.146 tors. eta vs tors. theta energy: -236.390 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: 8 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2461.503199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.503199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.503199 (E_RNA) where: Base-Base interactions energy: -1691.315 where: short stacking energy: -723.602 Base-Backbone interact. energy: 1.420 local terms energy: -771.608162 where: bonds (distance) C4'-P energy: -124.129 bonds (distance) P-C4' energy: -149.371 flat angles C4'-P-C4' energy: -174.292 flat angles P-C4'-P energy: -114.633 tors. eta vs tors. theta energy: -209.182 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: 7 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2284.343816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.343816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.343816 (E_RNA) where: Base-Base interactions energy: -1580.754 where: short stacking energy: -685.673 Base-Backbone interact. energy: -2.623 local terms energy: -700.966349 where: bonds (distance) C4'-P energy: -126.818 bonds (distance) P-C4' energy: -126.746 flat angles C4'-P-C4' energy: -154.679 flat angles P-C4'-P energy: -89.665 tors. eta vs tors. theta energy: -203.058 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: 6 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2143.796094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.796094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.796094 (E_RNA) where: Base-Base interactions energy: -1453.052 where: short stacking energy: -640.311 Base-Backbone interact. energy: 2.411 local terms energy: -693.155704 where: bonds (distance) C4'-P energy: -148.695 bonds (distance) P-C4' energy: -137.790 flat angles C4'-P-C4' energy: -140.333 flat angles P-C4'-P energy: -98.233 tors. eta vs tors. theta energy: -168.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2034.653958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.653958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.653958 (E_RNA) where: Base-Base interactions energy: -1423.950 where: short stacking energy: -588.653 Base-Backbone interact. energy: 1.765 local terms energy: -612.469188 where: bonds (distance) C4'-P energy: -119.619 bonds (distance) P-C4' energy: -133.981 flat angles C4'-P-C4' energy: -127.223 flat angles P-C4'-P energy: -79.360 tors. eta vs tors. theta energy: -152.286 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: 9 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1940.345087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.345087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.345087 (E_RNA) where: Base-Base interactions energy: -1310.268 where: short stacking energy: -558.835 Base-Backbone interact. energy: -1.647 local terms energy: -628.430177 where: bonds (distance) C4'-P energy: -128.538 bonds (distance) P-C4' energy: -135.301 flat angles C4'-P-C4' energy: -132.200 flat angles P-C4'-P energy: -79.285 tors. eta vs tors. theta energy: -153.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1400.347911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.347911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.347911 (E_RNA) where: Base-Base interactions energy: -868.751 where: short stacking energy: -402.047 Base-Backbone interact. energy: 2.846 local terms energy: -534.442863 where: bonds (distance) C4'-P energy: -114.050 bonds (distance) P-C4' energy: -128.391 flat angles C4'-P-C4' energy: -141.847 flat angles P-C4'-P energy: -76.401 tors. eta vs tors. theta energy: -73.754 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: 2 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1134.964857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.964857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.964857 (E_RNA) where: Base-Base interactions energy: -674.807 where: short stacking energy: -356.018 Base-Backbone interact. energy: -2.830 local terms energy: -457.327919 where: bonds (distance) C4'-P energy: -93.082 bonds (distance) P-C4' energy: -123.287 flat angles C4'-P-C4' energy: -102.097 flat angles P-C4'-P energy: -85.204 tors. eta vs tors. theta energy: -53.658 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: 5 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -730.338667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.338667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.338667 (E_RNA) where: Base-Base interactions energy: -345.690 where: short stacking energy: -210.233 Base-Backbone interact. energy: -0.937 local terms energy: -383.711442 where: bonds (distance) C4'-P energy: -120.122 bonds (distance) P-C4' energy: -115.135 flat angles C4'-P-C4' energy: -96.100 flat angles P-C4'-P energy: -63.171 tors. eta vs tors. theta energy: 10.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2687.946770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.946770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.946770 (E_RNA) where: Base-Base interactions energy: -1852.375 where: short stacking energy: -786.810 Base-Backbone interact. energy: -3.699 local terms energy: -831.872687 where: bonds (distance) C4'-P energy: -153.245 bonds (distance) P-C4' energy: -148.978 flat angles C4'-P-C4' energy: -181.533 flat angles P-C4'-P energy: -112.431 tors. eta vs tors. theta energy: -235.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2610.074926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.074926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.074926 (E_RNA) where: Base-Base interactions energy: -1817.501 where: short stacking energy: -784.897 Base-Backbone interact. energy: -0.179 local terms energy: -792.395106 where: bonds (distance) C4'-P energy: -132.691 bonds (distance) P-C4' energy: -139.627 flat angles C4'-P-C4' energy: -169.974 flat angles P-C4'-P energy: -109.216 tors. eta vs tors. theta energy: -240.887 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: 8 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2483.271536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.271536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.271536 (E_RNA) where: Base-Base interactions energy: -1722.679 where: short stacking energy: -729.053 Base-Backbone interact. energy: -1.416 local terms energy: -759.177153 where: bonds (distance) C4'-P energy: -142.528 bonds (distance) P-C4' energy: -135.754 flat angles C4'-P-C4' energy: -159.484 flat angles P-C4'-P energy: -107.740 tors. eta vs tors. theta energy: -213.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2330.436302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.436302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.436302 (E_RNA) where: Base-Base interactions energy: -1584.169 where: short stacking energy: -695.390 Base-Backbone interact. energy: 0.383 local terms energy: -746.650583 where: bonds (distance) C4'-P energy: -142.655 bonds (distance) P-C4' energy: -131.831 flat angles C4'-P-C4' energy: -165.161 flat angles P-C4'-P energy: -99.740 tors. eta vs tors. theta energy: -207.264 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: 6 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2137.942156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.942156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.942156 (E_RNA) where: Base-Base interactions energy: -1461.892 where: short stacking energy: -593.869 Base-Backbone interact. energy: -2.970 local terms energy: -673.080121 where: bonds (distance) C4'-P energy: -141.895 bonds (distance) P-C4' energy: -122.581 flat angles C4'-P-C4' energy: -148.828 flat angles P-C4'-P energy: -99.201 tors. eta vs tors. theta energy: -160.575 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: 428 Temperature: 1.150000 Total energy: -2053.606489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.606489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.606489 (E_RNA) where: Base-Base interactions energy: -1423.773 where: short stacking energy: -583.287 Base-Backbone interact. energy: -1.754 local terms energy: -628.079627 where: bonds (distance) C4'-P energy: -129.359 bonds (distance) P-C4' energy: -131.249 flat angles C4'-P-C4' energy: -136.453 flat angles P-C4'-P energy: -79.378 tors. eta vs tors. theta energy: -151.640 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: 9 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1947.398720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.398720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.398720 (E_RNA) where: Base-Base interactions energy: -1304.600 where: short stacking energy: -550.695 Base-Backbone interact. energy: 0.455 local terms energy: -643.252900 where: bonds (distance) C4'-P energy: -121.029 bonds (distance) P-C4' energy: -135.955 flat angles C4'-P-C4' energy: -141.812 flat angles P-C4'-P energy: -96.656 tors. eta vs tors. theta energy: -147.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1348.623961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.623961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.623961 (E_RNA) where: Base-Base interactions energy: -874.591 where: short stacking energy: -422.835 Base-Backbone interact. energy: -0.658 local terms energy: -473.374934 where: bonds (distance) C4'-P energy: -97.123 bonds (distance) P-C4' energy: -124.295 flat angles C4'-P-C4' energy: -122.740 flat angles P-C4'-P energy: -59.547 tors. eta vs tors. theta energy: -69.670 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: 9, replica: 2 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1156.722495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.722495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.722495 (E_RNA) where: Base-Base interactions energy: -676.416 where: short stacking energy: -341.031 Base-Backbone interact. energy: 3.077 local terms energy: -483.383256 where: bonds (distance) C4'-P energy: -122.094 bonds (distance) P-C4' energy: -129.749 flat angles C4'-P-C4' energy: -112.491 flat angles P-C4'-P energy: -72.286 tors. eta vs tors. theta energy: -46.764 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: 5 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -683.097875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.097875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.097875 (E_RNA) where: Base-Base interactions energy: -301.969 where: short stacking energy: -178.092 Base-Backbone interact. energy: -1.629 local terms energy: -379.500429 where: bonds (distance) C4'-P energy: -123.182 bonds (distance) P-C4' energy: -123.587 flat angles C4'-P-C4' energy: -106.964 flat angles P-C4'-P energy: -44.411 tors. eta vs tors. theta energy: 18.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2675.147260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.147260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.147260 (E_RNA) where: Base-Base interactions energy: -1863.216 where: short stacking energy: -813.593 Base-Backbone interact. energy: 2.108 local terms energy: -814.038771 where: bonds (distance) C4'-P energy: -145.377 bonds (distance) P-C4' energy: -145.119 flat angles C4'-P-C4' energy: -171.106 flat angles P-C4'-P energy: -127.804 tors. eta vs tors. theta energy: -224.634 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: 1 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2628.572944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.572944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.572944 (E_RNA) where: Base-Base interactions energy: -1830.786 where: short stacking energy: -776.349 Base-Backbone interact. energy: 0.632 local terms energy: -798.419673 where: bonds (distance) C4'-P energy: -144.534 bonds (distance) P-C4' energy: -142.246 flat angles C4'-P-C4' energy: -171.293 flat angles P-C4'-P energy: -106.214 tors. eta vs tors. theta energy: -234.132 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: 8 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2452.898094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.898094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.898094 (E_RNA) where: Base-Base interactions energy: -1711.369 where: short stacking energy: -720.046 Base-Backbone interact. energy: -2.156 local terms energy: -739.372729 where: bonds (distance) C4'-P energy: -134.544 bonds (distance) P-C4' energy: -142.872 flat angles C4'-P-C4' energy: -147.702 flat angles P-C4'-P energy: -90.622 tors. eta vs tors. theta energy: -223.632 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: 7 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2287.001062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.001062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.001062 (E_RNA) where: Base-Base interactions energy: -1549.985 where: short stacking energy: -667.331 Base-Backbone interact. energy: -3.459 local terms energy: -733.557330 where: bonds (distance) C4'-P energy: -144.675 bonds (distance) P-C4' energy: -136.227 flat angles C4'-P-C4' energy: -155.516 flat angles P-C4'-P energy: -109.152 tors. eta vs tors. theta energy: -187.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2161.783072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.783072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.783072 (E_RNA) where: Base-Base interactions energy: -1472.918 where: short stacking energy: -636.410 Base-Backbone interact. energy: -3.886 local terms energy: -684.978301 where: bonds (distance) C4'-P energy: -144.693 bonds (distance) P-C4' energy: -124.338 flat angles C4'-P-C4' energy: -153.185 flat angles P-C4'-P energy: -90.665 tors. eta vs tors. theta energy: -172.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2031.909020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.909020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.909020 (E_RNA) where: Base-Base interactions energy: -1375.078 where: short stacking energy: -595.325 Base-Backbone interact. energy: -0.314 local terms energy: -656.516495 where: bonds (distance) C4'-P energy: -140.024 bonds (distance) P-C4' energy: -127.586 flat angles C4'-P-C4' energy: -132.763 flat angles P-C4'-P energy: -99.752 tors. eta vs tors. theta energy: -156.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1956.971445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.971445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.971445 (E_RNA) where: Base-Base interactions energy: -1352.222 where: short stacking energy: -555.075 Base-Backbone interact. energy: -1.141 local terms energy: -603.608749 where: bonds (distance) C4'-P energy: -123.025 bonds (distance) P-C4' energy: -118.430 flat angles C4'-P-C4' energy: -132.830 flat angles P-C4'-P energy: -90.761 tors. eta vs tors. theta energy: -138.563 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: 8, replica: 10 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1322.885136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.885136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.885136 (E_RNA) where: Base-Base interactions energy: -822.473 where: short stacking energy: -366.008 Base-Backbone interact. energy: 4.950 local terms energy: -505.361721 where: bonds (distance) C4'-P energy: -121.249 bonds (distance) P-C4' energy: -134.427 flat angles C4'-P-C4' energy: -124.681 flat angles P-C4'-P energy: -64.811 tors. eta vs tors. theta energy: -60.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1176.868246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.868246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.868246 (E_RNA) where: Base-Base interactions energy: -689.912 where: short stacking energy: -335.069 Base-Backbone interact. energy: -2.769 local terms energy: -484.186887 where: bonds (distance) C4'-P energy: -120.547 bonds (distance) P-C4' energy: -120.249 flat angles C4'-P-C4' energy: -107.261 flat angles P-C4'-P energy: -82.823 tors. eta vs tors. theta energy: -53.307 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: 5 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -727.826145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.826145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.826145 (E_RNA) where: Base-Base interactions energy: -298.409 where: short stacking energy: -204.312 Base-Backbone interact. energy: 1.042 local terms energy: -430.459254 where: bonds (distance) C4'-P energy: -124.133 bonds (distance) P-C4' energy: -141.412 flat angles C4'-P-C4' energy: -109.414 flat angles P-C4'-P energy: -53.055 tors. eta vs tors. theta energy: -2.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2692.158180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.158180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.158180 (E_RNA) where: Base-Base interactions energy: -1854.513 where: short stacking energy: -827.955 Base-Backbone interact. energy: -1.984 local terms energy: -835.661342 where: bonds (distance) C4'-P energy: -149.038 bonds (distance) P-C4' energy: -146.873 flat angles C4'-P-C4' energy: -175.204 flat angles P-C4'-P energy: -121.773 tors. eta vs tors. theta energy: -242.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2629.261610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.261610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.261610 (E_RNA) where: Base-Base interactions energy: -1823.348 where: short stacking energy: -773.715 Base-Backbone interact. energy: -4.775 local terms energy: -801.138435 where: bonds (distance) C4'-P energy: -157.025 bonds (distance) P-C4' energy: -134.468 flat angles C4'-P-C4' energy: -175.569 flat angles P-C4'-P energy: -106.251 tors. eta vs tors. theta energy: -227.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2446.191652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.191652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.191652 (E_RNA) where: Base-Base interactions energy: -1718.715 where: short stacking energy: -718.434 Base-Backbone interact. energy: -2.406 local terms energy: -725.070844 where: bonds (distance) C4'-P energy: -137.682 bonds (distance) P-C4' energy: -136.301 flat angles C4'-P-C4' energy: -147.783 flat angles P-C4'-P energy: -107.569 tors. eta vs tors. theta energy: -195.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2229.894836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.894836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.894836 (E_RNA) where: Base-Base interactions energy: -1520.488 where: short stacking energy: -674.364 Base-Backbone interact. energy: -0.155 local terms energy: -709.251473 where: bonds (distance) C4'-P energy: -118.846 bonds (distance) P-C4' energy: -143.593 flat angles C4'-P-C4' energy: -160.665 flat angles P-C4'-P energy: -104.593 tors. eta vs tors. theta energy: -181.553 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: 6 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2165.761409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.761409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.761409 (E_RNA) where: Base-Base interactions energy: -1476.850 where: short stacking energy: -619.580 Base-Backbone interact. energy: -1.771 local terms energy: -687.140310 where: bonds (distance) C4'-P energy: -131.838 bonds (distance) P-C4' energy: -139.089 flat angles C4'-P-C4' energy: -150.195 flat angles P-C4'-P energy: -100.599 tors. eta vs tors. theta energy: -165.421 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: 9 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1996.013705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.013705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.013705 (E_RNA) where: Base-Base interactions energy: -1343.442 where: short stacking energy: -602.545 Base-Backbone interact. energy: 0.460 local terms energy: -653.032544 where: bonds (distance) C4'-P energy: -126.080 bonds (distance) P-C4' energy: -128.912 flat angles C4'-P-C4' energy: -158.132 flat angles P-C4'-P energy: -91.318 tors. eta vs tors. theta energy: -148.590 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: 3 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1918.048803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.048803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.048803 (E_RNA) where: Base-Base interactions energy: -1332.299 where: short stacking energy: -563.372 Base-Backbone interact. energy: 1.695 local terms energy: -587.444625 where: bonds (distance) C4'-P energy: -89.628 bonds (distance) P-C4' energy: -129.282 flat angles C4'-P-C4' energy: -142.895 flat angles P-C4'-P energy: -96.780 tors. eta vs tors. theta energy: -128.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1355.471189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.471189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.471189 (E_RNA) where: Base-Base interactions energy: -851.804 where: short stacking energy: -381.909 Base-Backbone interact. energy: -1.978 local terms energy: -501.689015 where: bonds (distance) C4'-P energy: -116.556 bonds (distance) P-C4' energy: -134.268 flat angles C4'-P-C4' energy: -120.654 flat angles P-C4'-P energy: -66.841 tors. eta vs tors. theta energy: -63.370 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: 9, replica: 2 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1188.573558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.573558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.573558 (E_RNA) where: Base-Base interactions energy: -713.246 where: short stacking energy: -329.276 Base-Backbone interact. energy: -2.651 local terms energy: -472.676989 where: bonds (distance) C4'-P energy: -114.300 bonds (distance) P-C4' energy: -129.812 flat angles C4'-P-C4' energy: -107.106 flat angles P-C4'-P energy: -71.432 tors. eta vs tors. theta energy: -50.028 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: 10, replica: 5 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -717.860854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.860854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.860854 (E_RNA) where: Base-Base interactions energy: -330.049 where: short stacking energy: -213.871 Base-Backbone interact. energy: 3.718 local terms energy: -391.530448 where: bonds (distance) C4'-P energy: -109.101 bonds (distance) P-C4' energy: -106.795 flat angles C4'-P-C4' energy: -110.428 flat angles P-C4'-P energy: -66.380 tors. eta vs tors. theta energy: 1.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2697.965303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.965303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.965303 (E_RNA) where: Base-Base interactions energy: -1883.753 where: short stacking energy: -794.542 Base-Backbone interact. energy: -1.124 local terms energy: -813.087346 where: bonds (distance) C4'-P energy: -138.840 bonds (distance) P-C4' energy: -151.926 flat angles C4'-P-C4' energy: -174.698 flat angles P-C4'-P energy: -121.276 tors. eta vs tors. theta energy: -226.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2624.319683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.319683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.319683 (E_RNA) where: Base-Base interactions energy: -1831.479 where: short stacking energy: -812.467 Base-Backbone interact. energy: 1.501 local terms energy: -794.341454 where: bonds (distance) C4'-P energy: -124.870 bonds (distance) P-C4' energy: -151.218 flat angles C4'-P-C4' energy: -164.607 flat angles P-C4'-P energy: -124.496 tors. eta vs tors. theta energy: -229.150 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: 8 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2440.273867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.273867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.273867 (E_RNA) where: Base-Base interactions energy: -1715.202 where: short stacking energy: -721.225 Base-Backbone interact. energy: -4.039 local terms energy: -721.033233 where: bonds (distance) C4'-P energy: -115.974 bonds (distance) P-C4' energy: -146.119 flat angles C4'-P-C4' energy: -154.404 flat angles P-C4'-P energy: -106.471 tors. eta vs tors. theta energy: -198.065 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: 7 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2210.630608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.630608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.630608 (E_RNA) where: Base-Base interactions energy: -1491.694 where: short stacking energy: -655.173 Base-Backbone interact. energy: 1.773 local terms energy: -720.709540 where: bonds (distance) C4'-P energy: -142.970 bonds (distance) P-C4' energy: -154.377 flat angles C4'-P-C4' energy: -149.198 flat angles P-C4'-P energy: -99.161 tors. eta vs tors. theta energy: -175.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2177.395078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.395078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.395078 (E_RNA) where: Base-Base interactions energy: -1487.177 where: short stacking energy: -643.382 Base-Backbone interact. energy: -0.383 local terms energy: -689.835731 where: bonds (distance) C4'-P energy: -129.806 bonds (distance) P-C4' energy: -134.383 flat angles C4'-P-C4' energy: -155.774 flat angles P-C4'-P energy: -107.117 tors. eta vs tors. theta energy: -162.757 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: 3 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1955.387901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.387901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.387901 (E_RNA) where: Base-Base interactions energy: -1320.847 where: short stacking energy: -550.097 Base-Backbone interact. energy: 2.691 local terms energy: -637.232097 where: bonds (distance) C4'-P energy: -117.841 bonds (distance) P-C4' energy: -142.060 flat angles C4'-P-C4' energy: -138.606 flat angles P-C4'-P energy: -101.012 tors. eta vs tors. theta energy: -137.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1832.177483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.177483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.177483 (E_RNA) where: Base-Base interactions energy: -1224.951 where: short stacking energy: -539.258 Base-Backbone interact. energy: -3.834 local terms energy: -603.392647 where: bonds (distance) C4'-P energy: -121.158 bonds (distance) P-C4' energy: -123.184 flat angles C4'-P-C4' energy: -144.969 flat angles P-C4'-P energy: -80.690 tors. eta vs tors. theta energy: -133.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1291.778173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.778173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.778173 (E_RNA) where: Base-Base interactions energy: -779.214 where: short stacking energy: -391.868 Base-Backbone interact. energy: 0.369 local terms energy: -512.933356 where: bonds (distance) C4'-P energy: -97.629 bonds (distance) P-C4' energy: -119.512 flat angles C4'-P-C4' energy: -145.607 flat angles P-C4'-P energy: -75.494 tors. eta vs tors. theta energy: -74.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1145.445534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.445534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.445534 (E_RNA) where: Base-Base interactions energy: -674.608 where: short stacking energy: -334.597 Base-Backbone interact. energy: 2.464 local terms energy: -473.302334 where: bonds (distance) C4'-P energy: -117.370 bonds (distance) P-C4' energy: -126.311 flat angles C4'-P-C4' energy: -116.289 flat angles P-C4'-P energy: -68.204 tors. eta vs tors. theta energy: -45.129 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: 5 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -753.601092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.601092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.601092 (E_RNA) where: Base-Base interactions energy: -400.378 where: short stacking energy: -228.397 Base-Backbone interact. energy: 11.366 local terms energy: -364.588640 where: bonds (distance) C4'-P energy: -111.547 bonds (distance) P-C4' energy: -127.022 flat angles C4'-P-C4' energy: -85.168 flat angles P-C4'-P energy: -44.906 tors. eta vs tors. theta energy: 4.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2678.728423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.728423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.728423 (E_RNA) where: Base-Base interactions energy: -1845.856 where: short stacking energy: -833.128 Base-Backbone interact. energy: -4.475 local terms energy: -828.397373 where: bonds (distance) C4'-P energy: -148.460 bonds (distance) P-C4' energy: -154.349 flat angles C4'-P-C4' energy: -170.989 flat angles P-C4'-P energy: -118.100 tors. eta vs tors. theta energy: -236.499 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: 4 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2622.308960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.308960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.308960 (E_RNA) where: Base-Base interactions energy: -1811.433 where: short stacking energy: -776.344 Base-Backbone interact. energy: -5.212 local terms energy: -805.664050 where: bonds (distance) C4'-P energy: -151.984 bonds (distance) P-C4' energy: -142.257 flat angles C4'-P-C4' energy: -172.070 flat angles P-C4'-P energy: -108.871 tors. eta vs tors. theta energy: -230.483 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: 8 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2433.579467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.579467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.579467 (E_RNA) where: Base-Base interactions energy: -1692.508 where: short stacking energy: -707.766 Base-Backbone interact. energy: 3.783 local terms energy: -744.854622 where: bonds (distance) C4'-P energy: -132.737 bonds (distance) P-C4' energy: -140.025 flat angles C4'-P-C4' energy: -168.744 flat angles P-C4'-P energy: -108.034 tors. eta vs tors. theta energy: -195.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2259.006135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.006135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.006135 (E_RNA) where: Base-Base interactions energy: -1571.903 where: short stacking energy: -658.397 Base-Backbone interact. energy: 2.777 local terms energy: -689.880602 where: bonds (distance) C4'-P energy: -133.409 bonds (distance) P-C4' energy: -140.566 flat angles C4'-P-C4' energy: -163.208 flat angles P-C4'-P energy: -75.416 tors. eta vs tors. theta energy: -177.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2169.195312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.195312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.195312 (E_RNA) where: Base-Base interactions energy: -1487.148 where: short stacking energy: -643.555 Base-Backbone interact. energy: -1.919 local terms energy: -680.128688 where: bonds (distance) C4'-P energy: -123.160 bonds (distance) P-C4' energy: -134.073 flat angles C4'-P-C4' energy: -149.223 flat angles P-C4'-P energy: -100.054 tors. eta vs tors. theta energy: -173.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2046.792764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.792764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.792764 (E_RNA) where: Base-Base interactions energy: -1449.968 where: short stacking energy: -583.723 Base-Backbone interact. energy: -3.556 local terms energy: -593.268796 where: bonds (distance) C4'-P energy: -93.173 bonds (distance) P-C4' energy: -132.914 flat angles C4'-P-C4' energy: -141.797 flat angles P-C4'-P energy: -80.927 tors. eta vs tors. theta energy: -144.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1796.068027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.068027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.068027 (E_RNA) where: Base-Base interactions energy: -1182.166 where: short stacking energy: -531.710 Base-Backbone interact. energy: 1.044 local terms energy: -614.946145 where: bonds (distance) C4'-P energy: -124.731 bonds (distance) P-C4' energy: -133.656 flat angles C4'-P-C4' energy: -131.897 flat angles P-C4'-P energy: -90.678 tors. eta vs tors. theta energy: -133.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1315.755527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.755527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.755527 (E_RNA) where: Base-Base interactions energy: -790.944 where: short stacking energy: -381.997 Base-Backbone interact. energy: 5.157 local terms energy: -529.969459 where: bonds (distance) C4'-P energy: -131.192 bonds (distance) P-C4' energy: -128.174 flat angles C4'-P-C4' energy: -136.436 flat angles P-C4'-P energy: -70.897 tors. eta vs tors. theta energy: -63.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1160.403524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.403524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.403524 (E_RNA) where: Base-Base interactions energy: -723.397 where: short stacking energy: -350.203 Base-Backbone interact. energy: -1.523 local terms energy: -435.483769 where: bonds (distance) C4'-P energy: -112.143 bonds (distance) P-C4' energy: -129.684 flat angles C4'-P-C4' energy: -89.874 flat angles P-C4'-P energy: -54.713 tors. eta vs tors. theta energy: -49.069 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: 5 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -757.825471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.825471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.825471 (E_RNA) where: Base-Base interactions energy: -343.045 where: short stacking energy: -225.483 Base-Backbone interact. energy: 1.324 local terms energy: -416.104272 where: bonds (distance) C4'-P energy: -134.926 bonds (distance) P-C4' energy: -123.283 flat angles C4'-P-C4' energy: -114.645 flat angles P-C4'-P energy: -47.186 tors. eta vs tors. theta energy: 3.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2687.704251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.704251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.704251 (E_RNA) where: Base-Base interactions energy: -1873.239 where: short stacking energy: -802.391 Base-Backbone interact. energy: -1.442 local terms energy: -813.023383 where: bonds (distance) C4'-P energy: -132.809 bonds (distance) P-C4' energy: -148.665 flat angles C4'-P-C4' energy: -183.447 flat angles P-C4'-P energy: -118.930 tors. eta vs tors. theta energy: -229.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2615.400461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.400461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.400461 (E_RNA) where: Base-Base interactions energy: -1821.730 where: short stacking energy: -766.684 Base-Backbone interact. energy: -4.708 local terms energy: -788.962490 where: bonds (distance) C4'-P energy: -138.899 bonds (distance) P-C4' energy: -162.026 flat angles C4'-P-C4' energy: -165.575 flat angles P-C4'-P energy: -101.860 tors. eta vs tors. theta energy: -220.603 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: 8 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2446.894970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.894970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.894970 (E_RNA) where: Base-Base interactions energy: -1699.962 where: short stacking energy: -744.895 Base-Backbone interact. energy: -3.465 local terms energy: -743.468094 where: bonds (distance) C4'-P energy: -136.165 bonds (distance) P-C4' energy: -131.807 flat angles C4'-P-C4' energy: -158.282 flat angles P-C4'-P energy: -105.565 tors. eta vs tors. theta energy: -211.648 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: 4, replica: 7 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2252.110220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.110220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.110220 (E_RNA) where: Base-Base interactions energy: -1548.444 where: short stacking energy: -661.571 Base-Backbone interact. energy: -3.744 local terms energy: -699.922145 where: bonds (distance) C4'-P energy: -152.929 bonds (distance) P-C4' energy: -140.963 flat angles C4'-P-C4' energy: -138.093 flat angles P-C4'-P energy: -82.369 tors. eta vs tors. theta energy: -185.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2164.157929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.157929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.157929 (E_RNA) where: Base-Base interactions energy: -1477.941 where: short stacking energy: -619.540 Base-Backbone interact. energy: 0.249 local terms energy: -686.465467 where: bonds (distance) C4'-P energy: -127.184 bonds (distance) P-C4' energy: -137.630 flat angles C4'-P-C4' energy: -154.613 flat angles P-C4'-P energy: -96.253 tors. eta vs tors. theta energy: -170.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2024.132434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.132434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.132434 (E_RNA) where: Base-Base interactions energy: -1384.696 where: short stacking energy: -582.529 Base-Backbone interact. energy: -1.704 local terms energy: -637.732766 where: bonds (distance) C4'-P energy: -136.276 bonds (distance) P-C4' energy: -132.232 flat angles C4'-P-C4' energy: -146.446 flat angles P-C4'-P energy: -91.155 tors. eta vs tors. theta energy: -131.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1776.284987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.284987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.284987 (E_RNA) where: Base-Base interactions energy: -1187.380 where: short stacking energy: -534.303 Base-Backbone interact. energy: -1.288 local terms energy: -587.616418 where: bonds (distance) C4'-P energy: -113.394 bonds (distance) P-C4' energy: -130.711 flat angles C4'-P-C4' energy: -117.290 flat angles P-C4'-P energy: -92.513 tors. eta vs tors. theta energy: -133.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1309.537440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.537440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.537440 (E_RNA) where: Base-Base interactions energy: -802.274 where: short stacking energy: -399.662 Base-Backbone interact. energy: 2.497 local terms energy: -509.760463 where: bonds (distance) C4'-P energy: -118.581 bonds (distance) P-C4' energy: -127.406 flat angles C4'-P-C4' energy: -116.742 flat angles P-C4'-P energy: -73.227 tors. eta vs tors. theta energy: -73.804 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: 2 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1197.100661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.100661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.100661 (E_RNA) where: Base-Base interactions energy: -709.930 where: short stacking energy: -332.611 Base-Backbone interact. energy: 5.638 local terms energy: -492.808591 where: bonds (distance) C4'-P energy: -128.882 bonds (distance) P-C4' energy: -137.566 flat angles C4'-P-C4' energy: -113.483 flat angles P-C4'-P energy: -65.400 tors. eta vs tors. theta energy: -47.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -774.036751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.036751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.036751 (E_RNA) where: Base-Base interactions energy: -389.586 where: short stacking energy: -226.277 Base-Backbone interact. energy: 0.325 local terms energy: -384.776383 where: bonds (distance) C4'-P energy: -92.634 bonds (distance) P-C4' energy: -117.954 flat angles C4'-P-C4' energy: -94.116 flat angles P-C4'-P energy: -69.839 tors. eta vs tors. theta energy: -10.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2665.014727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.014727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.014727 (E_RNA) where: Base-Base interactions energy: -1870.773 where: short stacking energy: -811.660 Base-Backbone interact. energy: 4.597 local terms energy: -798.838297 where: bonds (distance) C4'-P energy: -128.896 bonds (distance) P-C4' energy: -139.322 flat angles C4'-P-C4' energy: -177.535 flat angles P-C4'-P energy: -119.727 tors. eta vs tors. theta energy: -233.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2595.891750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.891750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.891750 (E_RNA) where: Base-Base interactions energy: -1814.390 where: short stacking energy: -755.194 Base-Backbone interact. energy: -1.664 local terms energy: -779.838147 where: bonds (distance) C4'-P energy: -140.255 bonds (distance) P-C4' energy: -158.195 flat angles C4'-P-C4' energy: -153.910 flat angles P-C4'-P energy: -105.459 tors. eta vs tors. theta energy: -222.020 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: 8 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2471.832703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.832703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.832703 (E_RNA) where: Base-Base interactions energy: -1736.229 where: short stacking energy: -732.564 Base-Backbone interact. energy: 0.906 local terms energy: -736.509163 where: bonds (distance) C4'-P energy: -113.269 bonds (distance) P-C4' energy: -141.724 flat angles C4'-P-C4' energy: -167.056 flat angles P-C4'-P energy: -98.221 tors. eta vs tors. theta energy: -216.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2275.479367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.479367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.479367 (E_RNA) where: Base-Base interactions energy: -1535.958 where: short stacking energy: -669.343 Base-Backbone interact. energy: -3.658 local terms energy: -735.862947 where: bonds (distance) C4'-P energy: -138.915 bonds (distance) P-C4' energy: -143.159 flat angles C4'-P-C4' energy: -153.894 flat angles P-C4'-P energy: -104.449 tors. eta vs tors. theta energy: -195.446 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: 6 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2171.128532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.128532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.128532 (E_RNA) where: Base-Base interactions energy: -1478.007 where: short stacking energy: -645.501 Base-Backbone interact. energy: -2.885 local terms energy: -690.236430 where: bonds (distance) C4'-P energy: -122.027 bonds (distance) P-C4' energy: -131.574 flat angles C4'-P-C4' energy: -165.601 flat angles P-C4'-P energy: -97.838 tors. eta vs tors. theta energy: -173.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2088.915571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.915571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.915571 (E_RNA) where: Base-Base interactions energy: -1414.959 where: short stacking energy: -604.094 Base-Backbone interact. energy: -3.926 local terms energy: -670.030971 where: bonds (distance) C4'-P energy: -135.072 bonds (distance) P-C4' energy: -134.827 flat angles C4'-P-C4' energy: -147.080 flat angles P-C4'-P energy: -90.924 tors. eta vs tors. theta energy: -162.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1714.872735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.872735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.872735 (E_RNA) where: Base-Base interactions energy: -1116.214 where: short stacking energy: -488.832 Base-Backbone interact. energy: -2.033 local terms energy: -596.625263 where: bonds (distance) C4'-P energy: -136.019 bonds (distance) P-C4' energy: -119.846 flat angles C4'-P-C4' energy: -136.601 flat angles P-C4'-P energy: -88.668 tors. eta vs tors. theta energy: -115.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1302.343923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.343923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.343923 (E_RNA) where: Base-Base interactions energy: -791.864 where: short stacking energy: -399.782 Base-Backbone interact. energy: -1.725 local terms energy: -508.754072 where: bonds (distance) C4'-P energy: -117.146 bonds (distance) P-C4' energy: -136.228 flat angles C4'-P-C4' energy: -128.033 flat angles P-C4'-P energy: -50.723 tors. eta vs tors. theta energy: -76.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1182.382682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.382682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.382682 (E_RNA) where: Base-Base interactions energy: -705.935 where: short stacking energy: -341.730 Base-Backbone interact. energy: 3.260 local terms energy: -479.707632 where: bonds (distance) C4'-P energy: -130.107 bonds (distance) P-C4' energy: -119.576 flat angles C4'-P-C4' energy: -124.637 flat angles P-C4'-P energy: -55.570 tors. eta vs tors. theta energy: -49.818 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: 5 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -817.457306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.457306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.457306 (E_RNA) where: Base-Base interactions energy: -381.578 where: short stacking energy: -234.198 Base-Backbone interact. energy: 0.512 local terms energy: -436.391240 where: bonds (distance) C4'-P energy: -119.239 bonds (distance) P-C4' energy: -135.446 flat angles C4'-P-C4' energy: -95.673 flat angles P-C4'-P energy: -80.137 tors. eta vs tors. theta energy: -5.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2660.096745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.096745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.096745 (E_RNA) where: Base-Base interactions energy: -1847.603 where: short stacking energy: -813.705 Base-Backbone interact. energy: -1.546 local terms energy: -810.947626 where: bonds (distance) C4'-P energy: -160.500 bonds (distance) P-C4' energy: -144.279 flat angles C4'-P-C4' energy: -164.597 flat angles P-C4'-P energy: -105.436 tors. eta vs tors. theta energy: -236.136 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: 4 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2587.534367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.534367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.534367 (E_RNA) where: Base-Base interactions energy: -1799.291 where: short stacking energy: -763.435 Base-Backbone interact. energy: -3.511 local terms energy: -784.732494 where: bonds (distance) C4'-P energy: -142.795 bonds (distance) P-C4' energy: -149.907 flat angles C4'-P-C4' energy: -161.650 flat angles P-C4'-P energy: -112.915 tors. eta vs tors. theta energy: -217.465 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: 8 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2438.740826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.740826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.740826 (E_RNA) where: Base-Base interactions energy: -1692.704 where: short stacking energy: -697.309 Base-Backbone interact. energy: -5.208 local terms energy: -740.828701 where: bonds (distance) C4'-P energy: -119.556 bonds (distance) P-C4' energy: -137.604 flat angles C4'-P-C4' energy: -168.790 flat angles P-C4'-P energy: -98.561 tors. eta vs tors. theta energy: -216.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2260.047665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.047665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.047665 (E_RNA) where: Base-Base interactions energy: -1530.986 where: short stacking energy: -654.510 Base-Backbone interact. energy: -4.780 local terms energy: -724.281673 where: bonds (distance) C4'-P energy: -138.236 bonds (distance) P-C4' energy: -124.943 flat angles C4'-P-C4' energy: -164.984 flat angles P-C4'-P energy: -112.343 tors. eta vs tors. theta energy: -183.776 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: 5, replica: 7 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2226.568017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.568017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.568017 (E_RNA) where: Base-Base interactions energy: -1542.640 where: short stacking energy: -662.244 Base-Backbone interact. energy: -2.906 local terms energy: -681.022393 where: bonds (distance) C4'-P energy: -129.739 bonds (distance) P-C4' energy: -121.176 flat angles C4'-P-C4' energy: -151.104 flat angles P-C4'-P energy: -97.127 tors. eta vs tors. theta energy: -181.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2089.519745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.519745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.519745 (E_RNA) where: Base-Base interactions energy: -1453.172 where: short stacking energy: -617.142 Base-Backbone interact. energy: -5.444 local terms energy: -630.903534 where: bonds (distance) C4'-P energy: -111.392 bonds (distance) P-C4' energy: -119.797 flat angles C4'-P-C4' energy: -144.092 flat angles P-C4'-P energy: -95.982 tors. eta vs tors. theta energy: -159.640 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: 9 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1758.641371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.641371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.641371 (E_RNA) where: Base-Base interactions energy: -1151.021 where: short stacking energy: -553.292 Base-Backbone interact. energy: -0.378 local terms energy: -607.241720 where: bonds (distance) C4'-P energy: -127.164 bonds (distance) P-C4' energy: -125.343 flat angles C4'-P-C4' energy: -131.574 flat angles P-C4'-P energy: -90.748 tors. eta vs tors. theta energy: -132.412 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: 8, replica: 10 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1245.485096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.485096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.485096 (E_RNA) where: Base-Base interactions energy: -748.621 where: short stacking energy: -376.869 Base-Backbone interact. energy: -2.834 local terms energy: -494.030157 where: bonds (distance) C4'-P energy: -119.537 bonds (distance) P-C4' energy: -117.705 flat angles C4'-P-C4' energy: -122.914 flat angles P-C4'-P energy: -72.694 tors. eta vs tors. theta energy: -61.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1205.701516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.701516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.701516 (E_RNA) where: Base-Base interactions energy: -720.299 where: short stacking energy: -334.064 Base-Backbone interact. energy: -2.254 local terms energy: -483.148240 where: bonds (distance) C4'-P energy: -131.277 bonds (distance) P-C4' energy: -118.786 flat angles C4'-P-C4' energy: -109.225 flat angles P-C4'-P energy: -83.137 tors. eta vs tors. theta energy: -40.723 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: 5 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -832.115880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.115880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.115880 (E_RNA) where: Base-Base interactions energy: -413.482 where: short stacking energy: -258.434 Base-Backbone interact. energy: 9.822 local terms energy: -428.455793 where: bonds (distance) C4'-P energy: -96.476 bonds (distance) P-C4' energy: -133.642 flat angles C4'-P-C4' energy: -105.293 flat angles P-C4'-P energy: -84.052 tors. eta vs tors. theta energy: -8.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2648.803496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.803496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.803496 (E_RNA) where: Base-Base interactions energy: -1830.028 where: short stacking energy: -807.696 Base-Backbone interact. energy: -2.743 local terms energy: -816.031959 where: bonds (distance) C4'-P energy: -147.064 bonds (distance) P-C4' energy: -139.843 flat angles C4'-P-C4' energy: -180.991 flat angles P-C4'-P energy: -114.058 tors. eta vs tors. theta energy: -234.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2598.583239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.583239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.583239 (E_RNA) where: Base-Base interactions energy: -1825.276 where: short stacking energy: -781.778 Base-Backbone interact. energy: 0.362 local terms energy: -773.669028 where: bonds (distance) C4'-P energy: -140.669 bonds (distance) P-C4' energy: -141.365 flat angles C4'-P-C4' energy: -165.233 flat angles P-C4'-P energy: -102.947 tors. eta vs tors. theta energy: -223.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2456.535286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.535286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.535286 (E_RNA) where: Base-Base interactions energy: -1695.153 where: short stacking energy: -703.714 Base-Backbone interact. energy: -1.833 local terms energy: -759.549481 where: bonds (distance) C4'-P energy: -140.428 bonds (distance) P-C4' energy: -136.370 flat angles C4'-P-C4' energy: -161.793 flat angles P-C4'-P energy: -117.378 tors. eta vs tors. theta energy: -203.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2291.387097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.387097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.387097 (E_RNA) where: Base-Base interactions energy: -1567.614 where: short stacking energy: -683.951 Base-Backbone interact. energy: 1.356 local terms energy: -725.128744 where: bonds (distance) C4'-P energy: -134.583 bonds (distance) P-C4' energy: -149.692 flat angles C4'-P-C4' energy: -146.704 flat angles P-C4'-P energy: -106.914 tors. eta vs tors. theta energy: -187.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2197.178155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.178155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.178155 (E_RNA) where: Base-Base interactions energy: -1488.688 where: short stacking energy: -639.921 Base-Backbone interact. energy: 0.118 local terms energy: -708.608447 where: bonds (distance) C4'-P energy: -119.758 bonds (distance) P-C4' energy: -142.332 flat angles C4'-P-C4' energy: -167.751 flat angles P-C4'-P energy: -94.384 tors. eta vs tors. theta energy: -184.383 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: 6, replica: 3 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2033.573076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.573076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.573076 (E_RNA) where: Base-Base interactions energy: -1367.496 where: short stacking energy: -538.236 Base-Backbone interact. energy: -5.084 local terms energy: -660.992750 where: bonds (distance) C4'-P energy: -136.321 bonds (distance) P-C4' energy: -127.930 flat angles C4'-P-C4' energy: -143.485 flat angles P-C4'-P energy: -101.623 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: 7, replica: 9 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1709.562393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.562393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.562393 (E_RNA) where: Base-Base interactions energy: -1128.593 where: short stacking energy: -491.192 Base-Backbone interact. energy: -1.542 local terms energy: -579.427614 where: bonds (distance) C4'-P energy: -126.044 bonds (distance) P-C4' energy: -117.855 flat angles C4'-P-C4' energy: -136.736 flat angles P-C4'-P energy: -78.778 tors. eta vs tors. theta energy: -120.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1307.042098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.042098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.042098 (E_RNA) where: Base-Base interactions energy: -810.292 where: short stacking energy: -385.824 Base-Backbone interact. energy: -0.641 local terms energy: -496.109190 where: bonds (distance) C4'-P energy: -119.856 bonds (distance) P-C4' energy: -121.919 flat angles C4'-P-C4' energy: -130.398 flat angles P-C4'-P energy: -60.918 tors. eta vs tors. theta energy: -63.018 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: 2 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1195.733061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.733061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.733061 (E_RNA) where: Base-Base interactions energy: -684.729 where: short stacking energy: -356.173 Base-Backbone interact. energy: -0.384 local terms energy: -510.620188 where: bonds (distance) C4'-P energy: -113.377 bonds (distance) P-C4' energy: -128.077 flat angles C4'-P-C4' energy: -130.020 flat angles P-C4'-P energy: -79.188 tors. eta vs tors. theta energy: -59.959 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: 5 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -801.629155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.629155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.629155 (E_RNA) where: Base-Base interactions energy: -415.476 where: short stacking energy: -236.780 Base-Backbone interact. energy: 2.129 local terms energy: -388.282736 where: bonds (distance) C4'-P energy: -89.458 bonds (distance) P-C4' energy: -124.446 flat angles C4'-P-C4' energy: -116.259 flat angles P-C4'-P energy: -57.095 tors. eta vs tors. theta energy: -1.025 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: 1, replica: 1 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2643.235687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.235687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.235687 (E_RNA) where: Base-Base interactions energy: -1825.955 where: short stacking energy: -782.546 Base-Backbone interact. energy: 2.779 local terms energy: -820.059286 where: bonds (distance) C4'-P energy: -150.683 bonds (distance) P-C4' energy: -147.320 flat angles C4'-P-C4' energy: -173.091 flat angles P-C4'-P energy: -113.622 tors. eta vs tors. theta energy: -235.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2578.314975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.314975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.314975 (E_RNA) where: Base-Base interactions energy: -1798.577 where: short stacking energy: -786.060 Base-Backbone interact. energy: -3.777 local terms energy: -775.960901 where: bonds (distance) C4'-P energy: -131.337 bonds (distance) P-C4' energy: -140.865 flat angles C4'-P-C4' energy: -178.299 flat angles P-C4'-P energy: -102.417 tors. eta vs tors. theta energy: -223.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2416.144650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.144650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.144650 (E_RNA) where: Base-Base interactions energy: -1680.347 where: short stacking energy: -701.040 Base-Backbone interact. energy: -1.759 local terms energy: -734.038264 where: bonds (distance) C4'-P energy: -136.423 bonds (distance) P-C4' energy: -134.542 flat angles C4'-P-C4' energy: -160.148 flat angles P-C4'-P energy: -97.623 tors. eta vs tors. theta energy: -205.303 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: 6 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2272.234402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.234402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.234402 (E_RNA) where: Base-Base interactions energy: -1565.586 where: short stacking energy: -659.325 Base-Backbone interact. energy: 0.524 local terms energy: -707.172886 where: bonds (distance) C4'-P energy: -130.096 bonds (distance) P-C4' energy: -149.838 flat angles C4'-P-C4' energy: -149.149 flat angles P-C4'-P energy: -90.024 tors. eta vs tors. theta energy: -188.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2130.885891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.885891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.885891 (E_RNA) where: Base-Base interactions energy: -1440.934 where: short stacking energy: -641.092 Base-Backbone interact. energy: -3.298 local terms energy: -686.654431 where: bonds (distance) C4'-P energy: -124.941 bonds (distance) P-C4' energy: -128.769 flat angles C4'-P-C4' energy: -155.363 flat angles P-C4'-P energy: -96.514 tors. eta vs tors. theta energy: -181.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2095.187070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.187070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.187070 (E_RNA) where: Base-Base interactions energy: -1423.456 where: short stacking energy: -612.891 Base-Backbone interact. energy: -4.360 local terms energy: -667.371488 where: bonds (distance) C4'-P energy: -133.137 bonds (distance) P-C4' energy: -132.253 flat angles C4'-P-C4' energy: -149.124 flat angles P-C4'-P energy: -92.950 tors. eta vs tors. theta energy: -159.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1739.655758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.655758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.655758 (E_RNA) where: Base-Base interactions energy: -1155.171 where: short stacking energy: -530.588 Base-Backbone interact. energy: -2.686 local terms energy: -581.798686 where: bonds (distance) C4'-P energy: -108.547 bonds (distance) P-C4' energy: -122.333 flat angles C4'-P-C4' energy: -141.623 flat angles P-C4'-P energy: -80.480 tors. eta vs tors. theta energy: -128.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1325.654503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.654503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.654503 (E_RNA) where: Base-Base interactions energy: -831.136 where: short stacking energy: -372.440 Base-Backbone interact. energy: -0.137 local terms energy: -494.380927 where: bonds (distance) C4'-P energy: -114.070 bonds (distance) P-C4' energy: -119.903 flat angles C4'-P-C4' energy: -130.301 flat angles P-C4'-P energy: -77.096 tors. eta vs tors. theta energy: -53.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1199.587348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.587348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.587348 (E_RNA) where: Base-Base interactions energy: -722.341 where: short stacking energy: -323.445 Base-Backbone interact. energy: 1.686 local terms energy: -478.932532 where: bonds (distance) C4'-P energy: -121.169 bonds (distance) P-C4' energy: -104.210 flat angles C4'-P-C4' energy: -132.633 flat angles P-C4'-P energy: -87.617 tors. eta vs tors. theta energy: -33.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -909.477152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.477152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.477152 (E_RNA) where: Base-Base interactions energy: -496.940 where: short stacking energy: -245.075 Base-Backbone interact. energy: -0.791 local terms energy: -411.745874 where: bonds (distance) C4'-P energy: -110.106 bonds (distance) P-C4' energy: -125.524 flat angles C4'-P-C4' energy: -93.403 flat angles P-C4'-P energy: -59.430 tors. eta vs tors. theta energy: -23.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2634.995124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.995124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.995124 (E_RNA) where: Base-Base interactions energy: -1829.975 where: short stacking energy: -803.810 Base-Backbone interact. energy: -2.910 local terms energy: -802.109241 where: bonds (distance) C4'-P energy: -135.674 bonds (distance) P-C4' energy: -154.132 flat angles C4'-P-C4' energy: -162.830 flat angles P-C4'-P energy: -117.612 tors. eta vs tors. theta energy: -231.861 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: 2, replica: 4 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2590.157179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.157179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.157179 (E_RNA) where: Base-Base interactions energy: -1804.579 where: short stacking energy: -763.999 Base-Backbone interact. energy: -0.947 local terms energy: -784.631464 where: bonds (distance) C4'-P energy: -140.429 bonds (distance) P-C4' energy: -146.350 flat angles C4'-P-C4' energy: -167.302 flat angles P-C4'-P energy: -109.507 tors. eta vs tors. theta energy: -221.044 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: 8 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2435.102547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.102547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.102547 (E_RNA) where: Base-Base interactions energy: -1699.693 where: short stacking energy: -722.718 Base-Backbone interact. energy: -0.515 local terms energy: -734.895108 where: bonds (distance) C4'-P energy: -143.926 bonds (distance) P-C4' energy: -136.071 flat angles C4'-P-C4' energy: -159.464 flat angles P-C4'-P energy: -101.644 tors. eta vs tors. theta energy: -193.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2306.915083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.915083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.915083 (E_RNA) where: Base-Base interactions energy: -1604.896 where: short stacking energy: -714.693 Base-Backbone interact. energy: -0.139 local terms energy: -701.879781 where: bonds (distance) C4'-P energy: -140.059 bonds (distance) P-C4' energy: -122.701 flat angles C4'-P-C4' energy: -161.627 flat angles P-C4'-P energy: -85.472 tors. eta vs tors. theta energy: -192.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2188.470589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.470589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.470589 (E_RNA) where: Base-Base interactions energy: -1509.856 where: short stacking energy: -633.535 Base-Backbone interact. energy: -0.842 local terms energy: -677.772083 where: bonds (distance) C4'-P energy: -116.655 bonds (distance) P-C4' energy: -134.642 flat angles C4'-P-C4' energy: -150.904 flat angles P-C4'-P energy: -102.532 tors. eta vs tors. theta energy: -173.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2098.673593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.673593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.673593 (E_RNA) where: Base-Base interactions energy: -1419.966 where: short stacking energy: -593.558 Base-Backbone interact. energy: -2.548 local terms energy: -676.159794 where: bonds (distance) C4'-P energy: -122.669 bonds (distance) P-C4' energy: -147.819 flat angles C4'-P-C4' energy: -151.531 flat angles P-C4'-P energy: -87.483 tors. eta vs tors. theta energy: -166.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1734.426147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.426147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.426147 (E_RNA) where: Base-Base interactions energy: -1136.748 where: short stacking energy: -507.871 Base-Backbone interact. energy: -0.572 local terms energy: -597.106316 where: bonds (distance) C4'-P energy: -139.027 bonds (distance) P-C4' energy: -100.319 flat angles C4'-P-C4' energy: -134.541 flat angles P-C4'-P energy: -105.708 tors. eta vs tors. theta energy: -117.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1298.339448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.339448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.339448 (E_RNA) where: Base-Base interactions energy: -815.243 where: short stacking energy: -373.631 Base-Backbone interact. energy: -1.896 local terms energy: -481.200174 where: bonds (distance) C4'-P energy: -130.455 bonds (distance) P-C4' energy: -114.979 flat angles C4'-P-C4' energy: -94.966 flat angles P-C4'-P energy: -89.612 tors. eta vs tors. theta energy: -51.188 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: 2 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1159.563004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.563004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.563004 (E_RNA) where: Base-Base interactions energy: -725.481 where: short stacking energy: -366.477 Base-Backbone interact. energy: 1.863 local terms energy: -435.945143 where: bonds (distance) C4'-P energy: -104.439 bonds (distance) P-C4' energy: -111.393 flat angles C4'-P-C4' energy: -114.836 flat angles P-C4'-P energy: -66.072 tors. eta vs tors. theta energy: -39.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -936.510441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.510441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.510441 (E_RNA) where: Base-Base interactions energy: -518.123 where: short stacking energy: -272.202 Base-Backbone interact. energy: 11.152 local terms energy: -429.539162 where: bonds (distance) C4'-P energy: -103.827 bonds (distance) P-C4' energy: -117.592 flat angles C4'-P-C4' energy: -112.579 flat angles P-C4'-P energy: -65.635 tors. eta vs tors. theta energy: -29.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2643.886890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.886890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.886890 (E_RNA) where: Base-Base interactions energy: -1830.561 where: short stacking energy: -799.317 Base-Backbone interact. energy: -2.978 local terms energy: -810.347713 where: bonds (distance) C4'-P energy: -151.239 bonds (distance) P-C4' energy: -143.985 flat angles C4'-P-C4' energy: -176.194 flat angles P-C4'-P energy: -105.671 tors. eta vs tors. theta energy: -233.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2567.670216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.670216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.670216 (E_RNA) where: Base-Base interactions energy: -1762.898 where: short stacking energy: -766.371 Base-Backbone interact. energy: -2.530 local terms energy: -802.241722 where: bonds (distance) C4'-P energy: -153.038 bonds (distance) P-C4' energy: -148.903 flat angles C4'-P-C4' energy: -161.222 flat angles P-C4'-P energy: -117.621 tors. eta vs tors. theta energy: -221.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2432.297261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.297261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.297261 (E_RNA) where: Base-Base interactions energy: -1654.553 where: short stacking energy: -707.233 Base-Backbone interact. energy: -3.145 local terms energy: -774.599390 where: bonds (distance) C4'-P energy: -144.788 bonds (distance) P-C4' energy: -132.099 flat angles C4'-P-C4' energy: -167.111 flat angles P-C4'-P energy: -118.198 tors. eta vs tors. theta energy: -212.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2272.630745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.630745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.630745 (E_RNA) where: Base-Base interactions energy: -1534.606 where: short stacking energy: -647.539 Base-Backbone interact. energy: -3.220 local terms energy: -734.805295 where: bonds (distance) C4'-P energy: -123.512 bonds (distance) P-C4' energy: -151.146 flat angles C4'-P-C4' energy: -159.525 flat angles P-C4'-P energy: -124.922 tors. eta vs tors. theta energy: -175.699 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: 5, replica: 3 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2152.686952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.686952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.686952 (E_RNA) where: Base-Base interactions energy: -1473.840 where: short stacking energy: -615.663 Base-Backbone interact. energy: -1.336 local terms energy: -677.511328 where: bonds (distance) C4'-P energy: -128.011 bonds (distance) P-C4' energy: -121.108 flat angles C4'-P-C4' energy: -155.938 flat angles P-C4'-P energy: -106.505 tors. eta vs tors. theta energy: -165.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2060.641977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.641977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.641977 (E_RNA) where: Base-Base interactions energy: -1387.225 where: short stacking energy: -595.583 Base-Backbone interact. energy: -4.075 local terms energy: -669.341548 where: bonds (distance) C4'-P energy: -116.145 bonds (distance) P-C4' energy: -136.305 flat angles C4'-P-C4' energy: -151.435 flat angles P-C4'-P energy: -103.515 tors. eta vs tors. theta energy: -161.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1713.358582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.358582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.358582 (E_RNA) where: Base-Base interactions energy: -1134.522 where: short stacking energy: -493.312 Base-Backbone interact. energy: -0.938 local terms energy: -577.898050 where: bonds (distance) C4'-P energy: -122.226 bonds (distance) P-C4' energy: -118.388 flat angles C4'-P-C4' energy: -137.902 flat angles P-C4'-P energy: -93.912 tors. eta vs tors. theta energy: -105.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1227.683128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.683128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.683128 (E_RNA) where: Base-Base interactions energy: -759.166 where: short stacking energy: -345.819 Base-Backbone interact. energy: 4.293 local terms energy: -472.810035 where: bonds (distance) C4'-P energy: -121.557 bonds (distance) P-C4' energy: -147.821 flat angles C4'-P-C4' energy: -94.194 flat angles P-C4'-P energy: -68.796 tors. eta vs tors. theta energy: -40.442 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: 2 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1081.404435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.404435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.404435 (E_RNA) where: Base-Base interactions energy: -630.438 where: short stacking energy: -274.124 Base-Backbone interact. energy: 3.807 local terms energy: -454.773456 where: bonds (distance) C4'-P energy: -109.060 bonds (distance) P-C4' energy: -125.780 flat angles C4'-P-C4' energy: -108.156 flat angles P-C4'-P energy: -70.210 tors. eta vs tors. theta energy: -41.568 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: 5 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -853.470902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.470902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.470902 (E_RNA) where: Base-Base interactions energy: -468.305 where: short stacking energy: -226.710 Base-Backbone interact. energy: 0.549 local terms energy: -385.714836 where: bonds (distance) C4'-P energy: -121.612 bonds (distance) P-C4' energy: -123.243 flat angles C4'-P-C4' energy: -102.079 flat angles P-C4'-P energy: -52.611 tors. eta vs tors. theta energy: 13.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2631.155495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.155495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.155495 (E_RNA) where: Base-Base interactions energy: -1828.280 where: short stacking energy: -798.843 Base-Backbone interact. energy: -2.995 local terms energy: -799.881019 where: bonds (distance) C4'-P energy: -153.417 bonds (distance) P-C4' energy: -143.064 flat angles C4'-P-C4' energy: -165.942 flat angles P-C4'-P energy: -110.747 tors. eta vs tors. theta energy: -226.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2560.867822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.867822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.867822 (E_RNA) where: Base-Base interactions energy: -1784.900 where: short stacking energy: -778.312 Base-Backbone interact. energy: 1.904 local terms energy: -777.871966 where: bonds (distance) C4'-P energy: -146.520 bonds (distance) P-C4' energy: -140.480 flat angles C4'-P-C4' energy: -168.637 flat angles P-C4'-P energy: -108.451 tors. eta vs tors. theta energy: -213.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2466.417850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.417850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.417850 (E_RNA) where: Base-Base interactions energy: -1700.965 where: short stacking energy: -725.332 Base-Backbone interact. energy: -2.368 local terms energy: -763.084161 where: bonds (distance) C4'-P energy: -136.810 bonds (distance) P-C4' energy: -133.374 flat angles C4'-P-C4' energy: -168.358 flat angles P-C4'-P energy: -109.515 tors. eta vs tors. theta energy: -215.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2309.094427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.094427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.094427 (E_RNA) where: Base-Base interactions energy: -1578.556 where: short stacking energy: -673.944 Base-Backbone interact. energy: -1.113 local terms energy: -729.425167 where: bonds (distance) C4'-P energy: -140.616 bonds (distance) P-C4' energy: -139.079 flat angles C4'-P-C4' energy: -150.478 flat angles P-C4'-P energy: -101.424 tors. eta vs tors. theta energy: -197.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2187.665267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.665267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.665267 (E_RNA) where: Base-Base interactions energy: -1495.493 where: short stacking energy: -636.374 Base-Backbone interact. energy: -2.987 local terms energy: -689.185441 where: bonds (distance) C4'-P energy: -133.634 bonds (distance) P-C4' energy: -123.127 flat angles C4'-P-C4' energy: -158.883 flat angles P-C4'-P energy: -95.109 tors. eta vs tors. theta energy: -178.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2037.805836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.805836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.805836 (E_RNA) where: Base-Base interactions energy: -1380.870 where: short stacking energy: -580.230 Base-Backbone interact. energy: 5.489 local terms energy: -662.425306 where: bonds (distance) C4'-P energy: -116.523 bonds (distance) P-C4' energy: -130.170 flat angles C4'-P-C4' energy: -141.797 flat angles P-C4'-P energy: -103.607 tors. eta vs tors. theta energy: -170.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1734.823444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.823444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.823444 (E_RNA) where: Base-Base interactions energy: -1123.227 where: short stacking energy: -482.373 Base-Backbone interact. energy: -2.336 local terms energy: -609.260800 where: bonds (distance) C4'-P energy: -130.243 bonds (distance) P-C4' energy: -128.887 flat angles C4'-P-C4' energy: -136.552 flat angles P-C4'-P energy: -93.831 tors. eta vs tors. theta energy: -119.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1326.140008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.140008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.140008 (E_RNA) where: Base-Base interactions energy: -833.284 where: short stacking energy: -362.349 Base-Backbone interact. energy: -0.867 local terms energy: -491.989480 where: bonds (distance) C4'-P energy: -106.779 bonds (distance) P-C4' energy: -124.185 flat angles C4'-P-C4' energy: -118.586 flat angles P-C4'-P energy: -80.605 tors. eta vs tors. theta energy: -61.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1110.721389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.721389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.721389 (E_RNA) where: Base-Base interactions energy: -617.579 where: short stacking energy: -312.594 Base-Backbone interact. energy: -0.793 local terms energy: -492.349242 where: bonds (distance) C4'-P energy: -124.045 bonds (distance) P-C4' energy: -114.625 flat angles C4'-P-C4' energy: -132.918 flat angles P-C4'-P energy: -77.582 tors. eta vs tors. theta energy: -43.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -921.064294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.064294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.064294 (E_RNA) where: Base-Base interactions energy: -501.577 where: short stacking energy: -275.988 Base-Backbone interact. energy: -1.453 local terms energy: -418.033771 where: bonds (distance) C4'-P energy: -108.808 bonds (distance) P-C4' energy: -138.038 flat angles C4'-P-C4' energy: -102.856 flat angles P-C4'-P energy: -66.059 tors. eta vs tors. theta energy: -2.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2619.213657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.213657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.213657 (E_RNA) where: Base-Base interactions energy: -1792.380 where: short stacking energy: -768.414 Base-Backbone interact. energy: -0.793 local terms energy: -826.040004 where: bonds (distance) C4'-P energy: -151.337 bonds (distance) P-C4' energy: -155.202 flat angles C4'-P-C4' energy: -170.071 flat angles P-C4'-P energy: -119.716 tors. eta vs tors. theta energy: -229.714 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: 4 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2547.413573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.413573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.413573 (E_RNA) where: Base-Base interactions energy: -1778.751 where: short stacking energy: -772.325 Base-Backbone interact. energy: 3.913 local terms energy: -772.575832 where: bonds (distance) C4'-P energy: -138.299 bonds (distance) P-C4' energy: -135.532 flat angles C4'-P-C4' energy: -172.021 flat angles P-C4'-P energy: -102.473 tors. eta vs tors. theta energy: -224.251 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: 3, replica: 8 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2464.465474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.465474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.465474 (E_RNA) where: Base-Base interactions energy: -1688.950 where: short stacking energy: -729.937 Base-Backbone interact. energy: -1.014 local terms energy: -774.501342 where: bonds (distance) C4'-P energy: -140.712 bonds (distance) P-C4' energy: -147.528 flat angles C4'-P-C4' energy: -158.475 flat angles P-C4'-P energy: -105.458 tors. eta vs tors. theta energy: -222.329 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: 3 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2268.008414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.008414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.008414 (E_RNA) where: Base-Base interactions energy: -1555.639 where: short stacking energy: -650.274 Base-Backbone interact. energy: -3.724 local terms energy: -708.645560 where: bonds (distance) C4'-P energy: -125.838 bonds (distance) P-C4' energy: -146.815 flat angles C4'-P-C4' energy: -153.750 flat angles P-C4'-P energy: -99.222 tors. eta vs tors. theta energy: -183.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2237.262366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.262366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.262366 (E_RNA) where: Base-Base interactions energy: -1532.744 where: short stacking energy: -628.592 Base-Backbone interact. energy: -0.689 local terms energy: -703.829065 where: bonds (distance) C4'-P energy: -126.521 bonds (distance) P-C4' energy: -140.532 flat angles C4'-P-C4' energy: -152.426 flat angles P-C4'-P energy: -98.857 tors. eta vs tors. theta energy: -185.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2035.464656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.464656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.464656 (E_RNA) where: Base-Base interactions energy: -1414.378 where: short stacking energy: -592.485 Base-Backbone interact. energy: -0.180 local terms energy: -620.905744 where: bonds (distance) C4'-P energy: -140.660 bonds (distance) P-C4' energy: -109.537 flat angles C4'-P-C4' energy: -131.616 flat angles P-C4'-P energy: -79.644 tors. eta vs tors. theta energy: -159.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1773.707847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.707847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.707847 (E_RNA) where: Base-Base interactions energy: -1135.094 where: short stacking energy: -507.318 Base-Backbone interact. energy: 0.873 local terms energy: -639.486004 where: bonds (distance) C4'-P energy: -137.724 bonds (distance) P-C4' energy: -139.653 flat angles C4'-P-C4' energy: -154.155 flat angles P-C4'-P energy: -80.625 tors. eta vs tors. theta energy: -127.329 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: 10 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1333.026166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.026166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.026166 (E_RNA) where: Base-Base interactions energy: -810.281 where: short stacking energy: -368.391 Base-Backbone interact. energy: -4.084 local terms energy: -518.661556 where: bonds (distance) C4'-P energy: -115.969 bonds (distance) P-C4' energy: -117.046 flat angles C4'-P-C4' energy: -125.339 flat angles P-C4'-P energy: -80.796 tors. eta vs tors. theta energy: -79.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1080.589063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.589063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.589063 (E_RNA) where: Base-Base interactions energy: -642.317 where: short stacking energy: -313.258 Base-Backbone interact. energy: 2.371 local terms energy: -440.643041 where: bonds (distance) C4'-P energy: -115.209 bonds (distance) P-C4' energy: -131.223 flat angles C4'-P-C4' energy: -111.937 flat angles P-C4'-P energy: -49.606 tors. eta vs tors. theta energy: -32.667 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: 5 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -905.304995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.304995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.304995 (E_RNA) where: Base-Base interactions energy: -462.113 where: short stacking energy: -242.887 Base-Backbone interact. energy: 3.377 local terms energy: -446.569561 where: bonds (distance) C4'-P energy: -123.201 bonds (distance) P-C4' energy: -132.610 flat angles C4'-P-C4' energy: -122.186 flat angles P-C4'-P energy: -56.743 tors. eta vs tors. theta energy: -11.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2649.894981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.894981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.894981 (E_RNA) where: Base-Base interactions energy: -1829.905 where: short stacking energy: -788.860 Base-Backbone interact. energy: -1.302 local terms energy: -818.688247 where: bonds (distance) C4'-P energy: -141.003 bonds (distance) P-C4' energy: -140.325 flat angles C4'-P-C4' energy: -177.420 flat angles P-C4'-P energy: -125.198 tors. eta vs tors. theta energy: -234.743 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: 4 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2579.985401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.985401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.985401 (E_RNA) where: Base-Base interactions energy: -1817.378 where: short stacking energy: -769.365 Base-Backbone interact. energy: -4.604 local terms energy: -758.003332 where: bonds (distance) C4'-P energy: -125.149 bonds (distance) P-C4' energy: -155.501 flat angles C4'-P-C4' energy: -159.995 flat angles P-C4'-P energy: -95.859 tors. eta vs tors. theta energy: -221.500 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: 8 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2432.784152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.784152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.784152 (E_RNA) where: Base-Base interactions energy: -1674.995 where: short stacking energy: -725.177 Base-Backbone interact. energy: 1.000 local terms energy: -758.789829 where: bonds (distance) C4'-P energy: -140.870 bonds (distance) P-C4' energy: -152.501 flat angles C4'-P-C4' energy: -160.844 flat angles P-C4'-P energy: -105.004 tors. eta vs tors. theta energy: -199.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2263.108174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.108174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.108174 (E_RNA) where: Base-Base interactions energy: -1554.342 where: short stacking energy: -645.786 Base-Backbone interact. energy: 2.535 local terms energy: -711.302105 where: bonds (distance) C4'-P energy: -145.917 bonds (distance) P-C4' energy: -136.846 flat angles C4'-P-C4' energy: -143.157 flat angles P-C4'-P energy: -102.328 tors. eta vs tors. theta energy: -183.053 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: 6 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2206.679106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.679106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.679106 (E_RNA) where: Base-Base interactions energy: -1513.873 where: short stacking energy: -653.358 Base-Backbone interact. energy: 0.445 local terms energy: -693.251205 where: bonds (distance) C4'-P energy: -121.242 bonds (distance) P-C4' energy: -148.635 flat angles C4'-P-C4' energy: -156.711 flat angles P-C4'-P energy: -96.183 tors. eta vs tors. theta energy: -170.480 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: 7 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2051.836941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.836941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.836941 (E_RNA) where: Base-Base interactions energy: -1393.707 where: short stacking energy: -582.963 Base-Backbone interact. energy: -3.378 local terms energy: -654.752290 where: bonds (distance) C4'-P energy: -114.708 bonds (distance) P-C4' energy: -140.457 flat angles C4'-P-C4' energy: -143.262 flat angles P-C4'-P energy: -87.332 tors. eta vs tors. theta energy: -168.992 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: 9 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1790.255522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.255522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.255522 (E_RNA) where: Base-Base interactions energy: -1210.495 where: short stacking energy: -524.035 Base-Backbone interact. energy: -2.638 local terms energy: -577.122142 where: bonds (distance) C4'-P energy: -101.281 bonds (distance) P-C4' energy: -117.884 flat angles C4'-P-C4' energy: -133.187 flat angles P-C4'-P energy: -98.690 tors. eta vs tors. theta energy: -126.080 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: 10 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1336.601186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.601186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.601186 (E_RNA) where: Base-Base interactions energy: -831.168 where: short stacking energy: -380.374 Base-Backbone interact. energy: -0.572 local terms energy: -504.861393 where: bonds (distance) C4'-P energy: -117.280 bonds (distance) P-C4' energy: -122.919 flat angles C4'-P-C4' energy: -125.344 flat angles P-C4'-P energy: -75.500 tors. eta vs tors. theta energy: -63.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1081.030142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.030142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.030142 (E_RNA) where: Base-Base interactions energy: -619.160 where: short stacking energy: -299.665 Base-Backbone interact. energy: -0.962 local terms energy: -460.907691 where: bonds (distance) C4'-P energy: -96.058 bonds (distance) P-C4' energy: -114.325 flat angles C4'-P-C4' energy: -114.246 flat angles P-C4'-P energy: -77.268 tors. eta vs tors. theta energy: -59.011 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: 5 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -917.431227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.431227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.431227 (E_RNA) where: Base-Base interactions energy: -527.366 where: short stacking energy: -256.948 Base-Backbone interact. energy: 2.819 local terms energy: -392.884837 where: bonds (distance) C4'-P energy: -107.558 bonds (distance) P-C4' energy: -110.100 flat angles C4'-P-C4' energy: -90.949 flat angles P-C4'-P energy: -72.924 tors. eta vs tors. theta energy: -11.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2625.516750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.516750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.516750 (E_RNA) where: Base-Base interactions energy: -1823.370 where: short stacking energy: -813.697 Base-Backbone interact. energy: -1.741 local terms energy: -800.405753 where: bonds (distance) C4'-P energy: -146.061 bonds (distance) P-C4' energy: -147.015 flat angles C4'-P-C4' energy: -165.221 flat angles P-C4'-P energy: -114.077 tors. eta vs tors. theta energy: -228.032 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: 4 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2551.346367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.346367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.346367 (E_RNA) where: Base-Base interactions energy: -1762.239 where: short stacking energy: -781.012 Base-Backbone interact. energy: -2.830 local terms energy: -786.276678 where: bonds (distance) C4'-P energy: -146.036 bonds (distance) P-C4' energy: -143.191 flat angles C4'-P-C4' energy: -172.610 flat angles P-C4'-P energy: -105.588 tors. eta vs tors. theta energy: -218.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2426.895097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.895097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.895097 (E_RNA) where: Base-Base interactions energy: -1660.324 where: short stacking energy: -683.454 Base-Backbone interact. energy: -2.996 local terms energy: -763.575538 where: bonds (distance) C4'-P energy: -147.317 bonds (distance) P-C4' energy: -144.751 flat angles C4'-P-C4' energy: -157.889 flat angles P-C4'-P energy: -110.515 tors. eta vs tors. theta energy: -203.103 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: 3 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2266.554771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.554771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.554771 (E_RNA) where: Base-Base interactions energy: -1551.102 where: short stacking energy: -662.479 Base-Backbone interact. energy: -0.529 local terms energy: -714.924235 where: bonds (distance) C4'-P energy: -134.371 bonds (distance) P-C4' energy: -135.794 flat angles C4'-P-C4' energy: -153.161 flat angles P-C4'-P energy: -109.032 tors. eta vs tors. theta energy: -182.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2192.904374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.904374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.904374 (E_RNA) where: Base-Base interactions energy: -1480.211 where: short stacking energy: -634.739 Base-Backbone interact. energy: 0.025 local terms energy: -712.719004 where: bonds (distance) C4'-P energy: -125.386 bonds (distance) P-C4' energy: -158.597 flat angles C4'-P-C4' energy: -150.048 flat angles P-C4'-P energy: -99.866 tors. eta vs tors. theta energy: -178.822 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: 443 Temperature: 1.150000 Total energy: -2169.370743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.370743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.370743 (E_RNA) where: Base-Base interactions energy: -1496.935 where: short stacking energy: -636.902 Base-Backbone interact. energy: -0.332 local terms energy: -672.103930 where: bonds (distance) C4'-P energy: -125.671 bonds (distance) P-C4' energy: -121.225 flat angles C4'-P-C4' energy: -140.024 flat angles P-C4'-P energy: -101.668 tors. eta vs tors. theta energy: -183.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1828.163777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.163777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.163777 (E_RNA) where: Base-Base interactions energy: -1239.260 where: short stacking energy: -542.866 Base-Backbone interact. energy: 0.489 local terms energy: -589.392668 where: bonds (distance) C4'-P energy: -108.218 bonds (distance) P-C4' energy: -109.576 flat angles C4'-P-C4' energy: -130.233 flat angles P-C4'-P energy: -105.208 tors. eta vs tors. theta energy: -136.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1364.371402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.371402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.371402 (E_RNA) where: Base-Base interactions energy: -842.516 where: short stacking energy: -378.599 Base-Backbone interact. energy: -3.436 local terms energy: -518.419857 where: bonds (distance) C4'-P energy: -120.975 bonds (distance) P-C4' energy: -118.850 flat angles C4'-P-C4' energy: -121.497 flat angles P-C4'-P energy: -80.933 tors. eta vs tors. theta energy: -76.164 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: 2 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1143.641577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.641577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.641577 (E_RNA) where: Base-Base interactions energy: -658.588 where: short stacking energy: -340.027 Base-Backbone interact. energy: -3.768 local terms energy: -481.285599 where: bonds (distance) C4'-P energy: -103.325 bonds (distance) P-C4' energy: -133.202 flat angles C4'-P-C4' energy: -117.789 flat angles P-C4'-P energy: -84.365 tors. eta vs tors. theta energy: -42.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -963.597097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.597097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.597097 (E_RNA) where: Base-Base interactions energy: -523.898 where: short stacking energy: -293.392 Base-Backbone interact. energy: 1.429 local terms energy: -441.128305 where: bonds (distance) C4'-P energy: -108.146 bonds (distance) P-C4' energy: -131.187 flat angles C4'-P-C4' energy: -110.251 flat angles P-C4'-P energy: -71.494 tors. eta vs tors. theta energy: -20.049 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: 1 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2597.563046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.563046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.563046 (E_RNA) where: Base-Base interactions energy: -1771.719 where: short stacking energy: -780.948 Base-Backbone interact. energy: -2.631 local terms energy: -823.212506 where: bonds (distance) C4'-P energy: -140.923 bonds (distance) P-C4' energy: -163.210 flat angles C4'-P-C4' energy: -177.797 flat angles P-C4'-P energy: -112.611 tors. eta vs tors. theta energy: -228.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2548.826050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.826050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.826050 (E_RNA) where: Base-Base interactions energy: -1765.349 where: short stacking energy: -771.682 Base-Backbone interact. energy: 1.118 local terms energy: -784.595378 where: bonds (distance) C4'-P energy: -140.170 bonds (distance) P-C4' energy: -144.504 flat angles C4'-P-C4' energy: -168.335 flat angles P-C4'-P energy: -111.627 tors. eta vs tors. theta energy: -219.959 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: 8 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2417.429000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.429000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.429000 (E_RNA) where: Base-Base interactions energy: -1629.140 where: short stacking energy: -718.044 Base-Backbone interact. energy: -2.506 local terms energy: -785.783518 where: bonds (distance) C4'-P energy: -137.669 bonds (distance) P-C4' energy: -149.792 flat angles C4'-P-C4' energy: -166.059 flat angles P-C4'-P energy: -120.342 tors. eta vs tors. theta energy: -211.921 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: 3 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2271.889648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.889648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.889648 (E_RNA) where: Base-Base interactions energy: -1564.335 where: short stacking energy: -621.721 Base-Backbone interact. energy: -1.067 local terms energy: -706.486750 where: bonds (distance) C4'-P energy: -128.376 bonds (distance) P-C4' energy: -139.373 flat angles C4'-P-C4' energy: -165.055 flat angles P-C4'-P energy: -103.319 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: 5, replica: 6 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2183.030171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.030171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.030171 (E_RNA) where: Base-Base interactions energy: -1524.496 where: short stacking energy: -655.858 Base-Backbone interact. energy: -0.578 local terms energy: -657.955830 where: bonds (distance) C4'-P energy: -136.982 bonds (distance) P-C4' energy: -122.391 flat angles C4'-P-C4' energy: -139.672 flat angles P-C4'-P energy: -90.100 tors. eta vs tors. theta energy: -168.811 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: 7 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2129.420568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.420568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.420568 (E_RNA) where: Base-Base interactions energy: -1465.639 where: short stacking energy: -606.404 Base-Backbone interact. energy: -1.314 local terms energy: -662.468237 where: bonds (distance) C4'-P energy: -141.519 bonds (distance) P-C4' energy: -139.140 flat angles C4'-P-C4' energy: -142.274 flat angles P-C4'-P energy: -75.011 tors. eta vs tors. theta energy: -164.525 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: 444 Temperature: 1.200000 Total energy: -1849.433127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.433127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.433127 (E_RNA) where: Base-Base interactions energy: -1237.678 where: short stacking energy: -535.481 Base-Backbone interact. energy: 1.252 local terms energy: -613.006665 where: bonds (distance) C4'-P energy: -128.461 bonds (distance) P-C4' energy: -121.832 flat angles C4'-P-C4' energy: -149.011 flat angles P-C4'-P energy: -79.946 tors. eta vs tors. theta energy: -133.757 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: 10 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1368.528599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.528599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.528599 (E_RNA) where: Base-Base interactions energy: -861.133 where: short stacking energy: -386.132 Base-Backbone interact. energy: -1.353 local terms energy: -506.042331 where: bonds (distance) C4'-P energy: -104.893 bonds (distance) P-C4' energy: -133.739 flat angles C4'-P-C4' energy: -121.930 flat angles P-C4'-P energy: -73.114 tors. eta vs tors. theta energy: -72.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1164.541779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.541779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.541779 (E_RNA) where: Base-Base interactions energy: -714.155 where: short stacking energy: -341.392 Base-Backbone interact. energy: 0.601 local terms energy: -450.987476 where: bonds (distance) C4'-P energy: -122.323 bonds (distance) P-C4' energy: -125.226 flat angles C4'-P-C4' energy: -101.344 flat angles P-C4'-P energy: -66.347 tors. eta vs tors. theta energy: -35.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -955.384475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.384475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.384475 (E_RNA) where: Base-Base interactions energy: -571.293 where: short stacking energy: -255.176 Base-Backbone interact. energy: -3.138 local terms energy: -380.953344 where: bonds (distance) C4'-P energy: -98.589 bonds (distance) P-C4' energy: -109.700 flat angles C4'-P-C4' energy: -110.344 flat angles P-C4'-P energy: -54.192 tors. eta vs tors. theta energy: -8.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2649.357911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.357911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.357911 (E_RNA) where: Base-Base interactions energy: -1832.079 where: short stacking energy: -829.403 Base-Backbone interact. energy: 0.611 local terms energy: -817.890439 where: bonds (distance) C4'-P energy: -150.110 bonds (distance) P-C4' energy: -130.144 flat angles C4'-P-C4' energy: -172.740 flat angles P-C4'-P energy: -130.175 tors. eta vs tors. theta energy: -234.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2546.410655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.410655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.410655 (E_RNA) where: Base-Base interactions energy: -1737.008 where: short stacking energy: -756.043 Base-Backbone interact. energy: -4.726 local terms energy: -804.676432 where: bonds (distance) C4'-P energy: -145.757 bonds (distance) P-C4' energy: -152.664 flat angles C4'-P-C4' energy: -180.335 flat angles P-C4'-P energy: -105.705 tors. eta vs tors. theta energy: -220.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2434.291484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.291484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.291484 (E_RNA) where: Base-Base interactions energy: -1674.662 where: short stacking energy: -727.714 Base-Backbone interact. energy: -3.130 local terms energy: -756.499631 where: bonds (distance) C4'-P energy: -134.024 bonds (distance) P-C4' energy: -135.849 flat angles C4'-P-C4' energy: -162.269 flat angles P-C4'-P energy: -110.839 tors. eta vs tors. theta energy: -213.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2252.248290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.248290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.248290 (E_RNA) where: Base-Base interactions energy: -1539.356 where: short stacking energy: -656.630 Base-Backbone interact. energy: -2.081 local terms energy: -710.811056 where: bonds (distance) C4'-P energy: -132.484 bonds (distance) P-C4' energy: -147.313 flat angles C4'-P-C4' energy: -151.011 flat angles P-C4'-P energy: -96.656 tors. eta vs tors. theta energy: -183.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2218.408554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.408554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.408554 (E_RNA) where: Base-Base interactions energy: -1540.352 where: short stacking energy: -664.770 Base-Backbone interact. energy: -1.078 local terms energy: -676.978638 where: bonds (distance) C4'-P energy: -114.862 bonds (distance) P-C4' energy: -135.550 flat angles C4'-P-C4' energy: -157.477 flat angles P-C4'-P energy: -107.709 tors. eta vs tors. theta energy: -161.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2096.833593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.833593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.833593 (E_RNA) where: Base-Base interactions energy: -1427.210 where: short stacking energy: -592.942 Base-Backbone interact. energy: -4.863 local terms energy: -664.760454 where: bonds (distance) C4'-P energy: -117.157 bonds (distance) P-C4' energy: -137.337 flat angles C4'-P-C4' energy: -145.991 flat angles P-C4'-P energy: -94.844 tors. eta vs tors. theta energy: -169.432 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: 9 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1863.675484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.675484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.675484 (E_RNA) where: Base-Base interactions energy: -1259.971 where: short stacking energy: -558.792 Base-Backbone interact. energy: 0.726 local terms energy: -604.430921 where: bonds (distance) C4'-P energy: -129.747 bonds (distance) P-C4' energy: -128.088 flat angles C4'-P-C4' energy: -130.829 flat angles P-C4'-P energy: -87.210 tors. eta vs tors. theta energy: -128.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1354.439296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.439296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.439296 (E_RNA) where: Base-Base interactions energy: -850.145 where: short stacking energy: -382.032 Base-Backbone interact. energy: -0.118 local terms energy: -504.176584 where: bonds (distance) C4'-P energy: -118.005 bonds (distance) P-C4' energy: -123.116 flat angles C4'-P-C4' energy: -128.019 flat angles P-C4'-P energy: -77.211 tors. eta vs tors. theta energy: -57.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1104.686774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.686774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.686774 (E_RNA) where: Base-Base interactions energy: -627.305 where: short stacking energy: -298.752 Base-Backbone interact. energy: -3.226 local terms energy: -474.156455 where: bonds (distance) C4'-P energy: -129.733 bonds (distance) P-C4' energy: -128.061 flat angles C4'-P-C4' energy: -114.675 flat angles P-C4'-P energy: -68.060 tors. eta vs tors. theta energy: -33.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -990.681612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.681612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.681612 (E_RNA) where: Base-Base interactions energy: -575.388 where: short stacking energy: -276.977 Base-Backbone interact. energy: 3.133 local terms energy: -418.426143 where: bonds (distance) C4'-P energy: -115.544 bonds (distance) P-C4' energy: -116.045 flat angles C4'-P-C4' energy: -100.898 flat angles P-C4'-P energy: -61.232 tors. eta vs tors. theta energy: -24.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2636.254799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.254799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.254799 (E_RNA) where: Base-Base interactions energy: -1815.224 where: short stacking energy: -788.689 Base-Backbone interact. energy: 2.296 local terms energy: -823.326999 where: bonds (distance) C4'-P energy: -151.926 bonds (distance) P-C4' energy: -140.425 flat angles C4'-P-C4' energy: -176.759 flat angles P-C4'-P energy: -113.135 tors. eta vs tors. theta energy: -241.083 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: 4 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2573.743083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.743083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.743083 (E_RNA) where: Base-Base interactions energy: -1784.790 where: short stacking energy: -741.504 Base-Backbone interact. energy: -3.306 local terms energy: -785.646789 where: bonds (distance) C4'-P energy: -130.386 bonds (distance) P-C4' energy: -161.412 flat angles C4'-P-C4' energy: -161.391 flat angles P-C4'-P energy: -112.813 tors. eta vs tors. theta energy: -219.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2419.740345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.740345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.740345 (E_RNA) where: Base-Base interactions energy: -1656.984 where: short stacking energy: -738.041 Base-Backbone interact. energy: -1.086 local terms energy: -761.670482 where: bonds (distance) C4'-P energy: -133.093 bonds (distance) P-C4' energy: -142.634 flat angles C4'-P-C4' energy: -162.197 flat angles P-C4'-P energy: -107.845 tors. eta vs tors. theta energy: -215.902 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: 3 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2256.028174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.028174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.028174 (E_RNA) where: Base-Base interactions energy: -1545.304 where: short stacking energy: -689.771 Base-Backbone interact. energy: -3.549 local terms energy: -707.175598 where: bonds (distance) C4'-P energy: -124.757 bonds (distance) P-C4' energy: -142.682 flat angles C4'-P-C4' energy: -158.647 flat angles P-C4'-P energy: -94.564 tors. eta vs tors. theta energy: -186.527 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: 6 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2191.389724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.389724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.389724 (E_RNA) where: Base-Base interactions energy: -1501.968 where: short stacking energy: -638.439 Base-Backbone interact. energy: 3.645 local terms energy: -693.066821 where: bonds (distance) C4'-P energy: -129.260 bonds (distance) P-C4' energy: -141.844 flat angles C4'-P-C4' energy: -159.650 flat angles P-C4'-P energy: -100.647 tors. eta vs tors. theta energy: -161.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2092.817167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.817167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.817167 (E_RNA) where: Base-Base interactions energy: -1411.236 where: short stacking energy: -593.872 Base-Backbone interact. energy: 0.189 local terms energy: -681.770121 where: bonds (distance) C4'-P energy: -130.587 bonds (distance) P-C4' energy: -153.899 flat angles C4'-P-C4' energy: -144.147 flat angles P-C4'-P energy: -92.733 tors. eta vs tors. theta energy: -160.404 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: 9 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1860.007763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.007763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.007763 (E_RNA) where: Base-Base interactions energy: -1252.121 where: short stacking energy: -538.593 Base-Backbone interact. energy: 0.068 local terms energy: -607.955093 where: bonds (distance) C4'-P energy: -118.683 bonds (distance) P-C4' energy: -136.514 flat angles C4'-P-C4' energy: -133.247 flat angles P-C4'-P energy: -85.535 tors. eta vs tors. theta energy: -133.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1294.556798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.556798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.556798 (E_RNA) where: Base-Base interactions energy: -812.768 where: short stacking energy: -394.931 Base-Backbone interact. energy: -1.913 local terms energy: -479.875747 where: bonds (distance) C4'-P energy: -107.755 bonds (distance) P-C4' energy: -119.417 flat angles C4'-P-C4' energy: -116.253 flat angles P-C4'-P energy: -67.001 tors. eta vs tors. theta energy: -69.450 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: 9, replica: 5 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -986.371053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.371053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.371053 (E_RNA) where: Base-Base interactions energy: -543.346 where: short stacking energy: -262.957 Base-Backbone interact. energy: -4.743 local terms energy: -438.282356 where: bonds (distance) C4'-P energy: -118.339 bonds (distance) P-C4' energy: -120.973 flat angles C4'-P-C4' energy: -116.733 flat angles P-C4'-P energy: -75.419 tors. eta vs tors. theta energy: -6.819 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: 2 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -1060.250606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.250606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.250606 (E_RNA) where: Base-Base interactions energy: -611.120 where: short stacking energy: -301.239 Base-Backbone interact. energy: 1.765 local terms energy: -450.895171 where: bonds (distance) C4'-P energy: -116.327 bonds (distance) P-C4' energy: -139.914 flat angles C4'-P-C4' energy: -109.690 flat angles P-C4'-P energy: -62.038 tors. eta vs tors. theta energy: -22.926 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: 1, replica: 1 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2633.910915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.910915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.910915 (E_RNA) where: Base-Base interactions energy: -1825.137 where: short stacking energy: -808.932 Base-Backbone interact. energy: -3.339 local terms energy: -805.434403 where: bonds (distance) C4'-P energy: -139.041 bonds (distance) P-C4' energy: -144.651 flat angles C4'-P-C4' energy: -163.209 flat angles P-C4'-P energy: -119.224 tors. eta vs tors. theta energy: -239.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2564.849868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.849868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.849868 (E_RNA) where: Base-Base interactions energy: -1796.292 where: short stacking energy: -770.737 Base-Backbone interact. energy: 3.097 local terms energy: -771.654594 where: bonds (distance) C4'-P energy: -132.540 bonds (distance) P-C4' energy: -141.399 flat angles C4'-P-C4' energy: -172.183 flat angles P-C4'-P energy: -103.976 tors. eta vs tors. theta energy: -221.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2404.425063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.425063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.425063 (E_RNA) where: Base-Base interactions energy: -1630.839 where: short stacking energy: -730.399 Base-Backbone interact. energy: -4.686 local terms energy: -768.900504 where: bonds (distance) C4'-P energy: -140.774 bonds (distance) P-C4' energy: -130.149 flat angles C4'-P-C4' energy: -165.857 flat angles P-C4'-P energy: -118.906 tors. eta vs tors. theta energy: -213.214 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: 447 Temperature: 1.050000 Total energy: -2280.145911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.145911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.145911 (E_RNA) where: Base-Base interactions energy: -1565.179 where: short stacking energy: -650.400 Base-Backbone interact. energy: -3.539 local terms energy: -711.428358 where: bonds (distance) C4'-P energy: -134.973 bonds (distance) P-C4' energy: -137.341 flat angles C4'-P-C4' energy: -158.788 flat angles P-C4'-P energy: -94.857 tors. eta vs tors. theta energy: -185.469 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: 6 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2136.653717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.653717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.653717 (E_RNA) where: Base-Base interactions energy: -1484.944 where: short stacking energy: -625.484 Base-Backbone interact. energy: 1.678 local terms energy: -653.387019 where: bonds (distance) C4'-P energy: -130.663 bonds (distance) P-C4' energy: -128.718 flat angles C4'-P-C4' energy: -136.449 flat angles P-C4'-P energy: -94.354 tors. eta vs tors. theta energy: -163.204 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: 447 Temperature: 1.150000 Total energy: -2094.327644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.327644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.327644 (E_RNA) where: Base-Base interactions energy: -1428.730 where: short stacking energy: -600.997 Base-Backbone interact. energy: -2.058 local terms energy: -663.538820 where: bonds (distance) C4'-P energy: -122.111 bonds (distance) P-C4' energy: -130.145 flat angles C4'-P-C4' energy: -133.197 flat angles P-C4'-P energy: -100.795 tors. eta vs tors. theta energy: -177.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1811.454551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.454551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.454551 (E_RNA) where: Base-Base interactions energy: -1218.588 where: short stacking energy: -547.678 Base-Backbone interact. energy: -2.184 local terms energy: -590.682469 where: bonds (distance) C4'-P energy: -119.905 bonds (distance) P-C4' energy: -97.038 flat angles C4'-P-C4' energy: -140.855 flat angles P-C4'-P energy: -88.287 tors. eta vs tors. theta energy: -144.597 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: 447 Temperature: 1.250000 Total energy: -1356.919485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.919485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.919485 (E_RNA) where: Base-Base interactions energy: -842.933 where: short stacking energy: -394.361 Base-Backbone interact. energy: -3.649 local terms energy: -510.337260 where: bonds (distance) C4'-P energy: -103.349 bonds (distance) P-C4' energy: -143.656 flat angles C4'-P-C4' energy: -139.549 flat angles P-C4'-P energy: -63.644 tors. eta vs tors. theta energy: -60.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1039.897974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.897974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.897974 (E_RNA) where: Base-Base interactions energy: -604.009 where: short stacking energy: -290.512 Base-Backbone interact. energy: 4.244 local terms energy: -440.132868 where: bonds (distance) C4'-P energy: -128.870 bonds (distance) P-C4' energy: -137.192 flat angles C4'-P-C4' energy: -99.561 flat angles P-C4'-P energy: -60.067 tors. eta vs tors. theta energy: -14.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -1014.320160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.320160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.320160 (E_RNA) where: Base-Base interactions energy: -556.619 where: short stacking energy: -282.824 Base-Backbone interact. energy: 4.221 local terms energy: -461.921477 where: bonds (distance) C4'-P energy: -132.081 bonds (distance) P-C4' energy: -120.493 flat angles C4'-P-C4' energy: -115.465 flat angles P-C4'-P energy: -61.897 tors. eta vs tors. theta energy: -31.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2644.410968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.410968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.410968 (E_RNA) where: Base-Base interactions energy: -1815.630 where: short stacking energy: -815.506 Base-Backbone interact. energy: -1.527 local terms energy: -827.253930 where: bonds (distance) C4'-P energy: -144.250 bonds (distance) P-C4' energy: -151.952 flat angles C4'-P-C4' energy: -180.127 flat angles P-C4'-P energy: -116.101 tors. eta vs tors. theta energy: -234.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2560.224504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.224504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.224504 (E_RNA) where: Base-Base interactions energy: -1796.968 where: short stacking energy: -737.479 Base-Backbone interact. energy: -0.847 local terms energy: -762.408960 where: bonds (distance) C4'-P energy: -146.170 bonds (distance) P-C4' energy: -146.091 flat angles C4'-P-C4' energy: -165.133 flat angles P-C4'-P energy: -93.169 tors. eta vs tors. theta energy: -211.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2382.922674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.922674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.922674 (E_RNA) where: Base-Base interactions energy: -1632.590 where: short stacking energy: -687.785 Base-Backbone interact. energy: -3.406 local terms energy: -746.926023 where: bonds (distance) C4'-P energy: -141.960 bonds (distance) P-C4' energy: -138.144 flat angles C4'-P-C4' energy: -164.086 flat angles P-C4'-P energy: -96.284 tors. eta vs tors. theta energy: -206.452 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: 448 Temperature: 1.050000 Total energy: -2286.279116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.279116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.279116 (E_RNA) where: Base-Base interactions energy: -1574.293 where: short stacking energy: -623.888 Base-Backbone interact. energy: -1.756 local terms energy: -710.230248 where: bonds (distance) C4'-P energy: -125.781 bonds (distance) P-C4' energy: -156.082 flat angles C4'-P-C4' energy: -143.794 flat angles P-C4'-P energy: -99.174 tors. eta vs tors. theta energy: -185.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2136.979774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.979774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.979774 (E_RNA) where: Base-Base interactions energy: -1473.319 where: short stacking energy: -636.212 Base-Backbone interact. energy: -0.315 local terms energy: -663.346276 where: bonds (distance) C4'-P energy: -138.392 bonds (distance) P-C4' energy: -127.839 flat angles C4'-P-C4' energy: -139.690 flat angles P-C4'-P energy: -92.360 tors. eta vs tors. theta energy: -165.065 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: 6, replica: 7 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2088.662299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.662299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.662299 (E_RNA) where: Base-Base interactions energy: -1405.335 where: short stacking energy: -637.713 Base-Backbone interact. energy: -1.827 local terms energy: -681.500287 where: bonds (distance) C4'-P energy: -122.161 bonds (distance) P-C4' energy: -128.379 flat angles C4'-P-C4' energy: -153.676 flat angles P-C4'-P energy: -96.635 tors. eta vs tors. theta energy: -180.649 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: 9 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1830.058557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.058557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.058557 (E_RNA) where: Base-Base interactions energy: -1208.100 where: short stacking energy: -541.475 Base-Backbone interact. energy: 0.737 local terms energy: -622.695559 where: bonds (distance) C4'-P energy: -122.150 bonds (distance) P-C4' energy: -144.677 flat angles C4'-P-C4' energy: -144.152 flat angles P-C4'-P energy: -76.564 tors. eta vs tors. theta energy: -135.153 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: 8, replica: 10 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1346.794699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.794699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.794699 (E_RNA) where: Base-Base interactions energy: -840.189 where: short stacking energy: -386.832 Base-Backbone interact. energy: 2.159 local terms energy: -508.764627 where: bonds (distance) C4'-P energy: -116.793 bonds (distance) P-C4' energy: -128.151 flat angles C4'-P-C4' energy: -125.725 flat angles P-C4'-P energy: -62.986 tors. eta vs tors. theta energy: -75.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1069.492706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.492706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.492706 (E_RNA) where: Base-Base interactions energy: -600.929 where: short stacking energy: -306.105 Base-Backbone interact. energy: -4.101 local terms energy: -464.463191 where: bonds (distance) C4'-P energy: -115.672 bonds (distance) P-C4' energy: -115.524 flat angles C4'-P-C4' energy: -133.015 flat angles P-C4'-P energy: -61.984 tors. eta vs tors. theta energy: -38.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -1048.922644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.922644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.922644 (E_RNA) where: Base-Base interactions energy: -616.785 where: short stacking energy: -311.667 Base-Backbone interact. energy: 1.642 local terms energy: -433.778886 where: bonds (distance) C4'-P energy: -123.047 bonds (distance) P-C4' energy: -139.196 flat angles C4'-P-C4' energy: -88.103 flat angles P-C4'-P energy: -41.421 tors. eta vs tors. theta energy: -42.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2628.738761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.738761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.738761 (E_RNA) where: Base-Base interactions energy: -1813.322 where: short stacking energy: -813.535 Base-Backbone interact. energy: -1.461 local terms energy: -813.956036 where: bonds (distance) C4'-P energy: -144.951 bonds (distance) P-C4' energy: -140.424 flat angles C4'-P-C4' energy: -167.890 flat angles P-C4'-P energy: -124.306 tors. eta vs tors. theta energy: -236.385 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: 4 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2528.641743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.641743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.641743 (E_RNA) where: Base-Base interactions energy: -1776.902 where: short stacking energy: -752.568 Base-Backbone interact. energy: -2.952 local terms energy: -748.787492 where: bonds (distance) C4'-P energy: -132.724 bonds (distance) P-C4' energy: -139.608 flat angles C4'-P-C4' energy: -159.185 flat angles P-C4'-P energy: -96.595 tors. eta vs tors. theta energy: -220.676 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: 8 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2430.494405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.494405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.494405 (E_RNA) where: Base-Base interactions energy: -1674.654 where: short stacking energy: -713.367 Base-Backbone interact. energy: -2.021 local terms energy: -753.819251 where: bonds (distance) C4'-P energy: -117.351 bonds (distance) P-C4' energy: -140.075 flat angles C4'-P-C4' energy: -168.631 flat angles P-C4'-P energy: -117.285 tors. eta vs tors. theta energy: -210.477 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: 3 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2273.927824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.927824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.927824 (E_RNA) where: Base-Base interactions energy: -1581.314 where: short stacking energy: -668.966 Base-Backbone interact. energy: -1.124 local terms energy: -691.490265 where: bonds (distance) C4'-P energy: -145.183 bonds (distance) P-C4' energy: -111.728 flat angles C4'-P-C4' energy: -173.541 flat angles P-C4'-P energy: -77.566 tors. eta vs tors. theta energy: -183.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2148.415138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.415138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.415138 (E_RNA) where: Base-Base interactions energy: -1493.937 where: short stacking energy: -623.772 Base-Backbone interact. energy: -2.014 local terms energy: -652.464870 where: bonds (distance) C4'-P energy: -111.096 bonds (distance) P-C4' energy: -144.253 flat angles C4'-P-C4' energy: -142.312 flat angles P-C4'-P energy: -96.947 tors. eta vs tors. theta energy: -157.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2090.680743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.680743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.680743 (E_RNA) where: Base-Base interactions energy: -1445.263 where: short stacking energy: -635.180 Base-Backbone interact. energy: 0.100 local terms energy: -645.517972 where: bonds (distance) C4'-P energy: -117.417 bonds (distance) P-C4' energy: -115.858 flat angles C4'-P-C4' energy: -156.369 flat angles P-C4'-P energy: -80.056 tors. eta vs tors. theta energy: -175.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1830.323064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.323064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.323064 (E_RNA) where: Base-Base interactions energy: -1273.527 where: short stacking energy: -558.865 Base-Backbone interact. energy: -1.777 local terms energy: -555.018830 where: bonds (distance) C4'-P energy: -117.353 bonds (distance) P-C4' energy: -110.193 flat angles C4'-P-C4' energy: -118.082 flat angles P-C4'-P energy: -69.421 tors. eta vs tors. theta energy: -139.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1352.414768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.414768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.414768 (E_RNA) where: Base-Base interactions energy: -854.977 where: short stacking energy: -394.287 Base-Backbone interact. energy: 0.004 local terms energy: -497.442102 where: bonds (distance) C4'-P energy: -119.927 bonds (distance) P-C4' energy: -124.496 flat angles C4'-P-C4' energy: -119.319 flat angles P-C4'-P energy: -63.304 tors. eta vs tors. theta energy: -70.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1089.105913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.105913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.105913 (E_RNA) where: Base-Base interactions energy: -612.256 where: short stacking energy: -294.034 Base-Backbone interact. energy: -3.707 local terms energy: -473.142976 where: bonds (distance) C4'-P energy: -123.304 bonds (distance) P-C4' energy: -127.459 flat angles C4'-P-C4' energy: -106.545 flat angles P-C4'-P energy: -73.779 tors. eta vs tors. theta energy: -42.056 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: 2 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -1026.745955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.745955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.745955 (E_RNA) where: Base-Base interactions energy: -590.562 where: short stacking energy: -295.781 Base-Backbone interact. energy: 0.125 local terms energy: -436.308728 where: bonds (distance) C4'-P energy: -88.956 bonds (distance) P-C4' energy: -125.070 flat angles C4'-P-C4' energy: -129.220 flat angles P-C4'-P energy: -53.257 tors. eta vs tors. theta energy: -39.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2646.310187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.310187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.310187 (E_RNA) where: Base-Base interactions energy: -1830.754 where: short stacking energy: -815.064 Base-Backbone interact. energy: 2.206 local terms energy: -817.762393 where: bonds (distance) C4'-P energy: -139.533 bonds (distance) P-C4' energy: -151.171 flat angles C4'-P-C4' energy: -184.705 flat angles P-C4'-P energy: -108.575 tors. eta vs tors. theta energy: -233.779 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: 4 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2533.104554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.104554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.104554 (E_RNA) where: Base-Base interactions energy: -1776.058 where: short stacking energy: -734.884 Base-Backbone interact. energy: -2.703 local terms energy: -754.343565 where: bonds (distance) C4'-P energy: -138.146 bonds (distance) P-C4' energy: -137.669 flat angles C4'-P-C4' energy: -161.121 flat angles P-C4'-P energy: -103.727 tors. eta vs tors. theta energy: -213.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2445.589859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.589859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.589859 (E_RNA) where: Base-Base interactions energy: -1661.996 where: short stacking energy: -723.947 Base-Backbone interact. energy: -7.033 local terms energy: -776.560503 where: bonds (distance) C4'-P energy: -138.644 bonds (distance) P-C4' energy: -154.408 flat angles C4'-P-C4' energy: -161.265 flat angles P-C4'-P energy: -104.431 tors. eta vs tors. theta energy: -217.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2232.438275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.438275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.438275 (E_RNA) where: Base-Base interactions energy: -1553.397 where: short stacking energy: -666.850 Base-Backbone interact. energy: 1.213 local terms energy: -680.253508 where: bonds (distance) C4'-P energy: -111.311 bonds (distance) P-C4' energy: -141.997 flat angles C4'-P-C4' energy: -146.164 flat angles P-C4'-P energy: -101.719 tors. eta vs tors. theta energy: -179.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2207.875837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.875837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.875837 (E_RNA) where: Base-Base interactions energy: -1525.785 where: short stacking energy: -642.445 Base-Backbone interact. energy: -2.789 local terms energy: -679.301849 where: bonds (distance) C4'-P energy: -139.368 bonds (distance) P-C4' energy: -134.745 flat angles C4'-P-C4' energy: -146.011 flat angles P-C4'-P energy: -105.078 tors. eta vs tors. theta energy: -154.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2115.941882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.941882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.941882 (E_RNA) where: Base-Base interactions energy: -1437.574 where: short stacking energy: -631.673 Base-Backbone interact. energy: -1.586 local terms energy: -676.781006 where: bonds (distance) C4'-P energy: -115.476 bonds (distance) P-C4' energy: -123.217 flat angles C4'-P-C4' energy: -157.108 flat angles P-C4'-P energy: -90.343 tors. eta vs tors. theta energy: -190.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1886.072812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.072812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.072812 (E_RNA) where: Base-Base interactions energy: -1278.267 where: short stacking energy: -571.671 Base-Backbone interact. energy: -2.724 local terms energy: -605.081680 where: bonds (distance) C4'-P energy: -109.140 bonds (distance) P-C4' energy: -132.869 flat angles C4'-P-C4' energy: -132.652 flat angles P-C4'-P energy: -92.178 tors. eta vs tors. theta energy: -138.243 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: 10 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1338.475668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.475668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.475668 (E_RNA) where: Base-Base interactions energy: -844.823 where: short stacking energy: -411.184 Base-Backbone interact. energy: 2.396 local terms energy: -496.048311 where: bonds (distance) C4'-P energy: -124.710 bonds (distance) P-C4' energy: -98.850 flat angles C4'-P-C4' energy: -128.333 flat angles P-C4'-P energy: -74.643 tors. eta vs tors. theta energy: -69.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1125.841917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.841917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.841917 (E_RNA) where: Base-Base interactions energy: -668.927 where: short stacking energy: -341.801 Base-Backbone interact. energy: -2.634 local terms energy: -454.280637 where: bonds (distance) C4'-P energy: -106.306 bonds (distance) P-C4' energy: -117.273 flat angles C4'-P-C4' energy: -121.523 flat angles P-C4'-P energy: -66.167 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: 5 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -1001.367787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.367787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.367787 (E_RNA) where: Base-Base interactions energy: -586.689 where: short stacking energy: -278.172 Base-Backbone interact. energy: 1.198 local terms energy: -415.877022 where: bonds (distance) C4'-P energy: -104.375 bonds (distance) P-C4' energy: -119.368 flat angles C4'-P-C4' energy: -111.607 flat angles P-C4'-P energy: -61.536 tors. eta vs tors. theta energy: -18.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2627.750171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.750171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.750171 (E_RNA) where: Base-Base interactions energy: -1815.861 where: short stacking energy: -782.652 Base-Backbone interact. energy: -0.505 local terms energy: -811.384504 where: bonds (distance) C4'-P energy: -137.223 bonds (distance) P-C4' energy: -154.036 flat angles C4'-P-C4' energy: -177.047 flat angles P-C4'-P energy: -114.337 tors. eta vs tors. theta energy: -228.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2551.758635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.758635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.758635 (E_RNA) where: Base-Base interactions energy: -1790.385 where: short stacking energy: -725.742 Base-Backbone interact. energy: -6.154 local terms energy: -755.219334 where: bonds (distance) C4'-P energy: -141.856 bonds (distance) P-C4' energy: -144.781 flat angles C4'-P-C4' energy: -155.810 flat angles P-C4'-P energy: -95.855 tors. eta vs tors. theta energy: -216.917 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: 8 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2394.703588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.703588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.703588 (E_RNA) where: Base-Base interactions energy: -1654.933 where: short stacking energy: -698.939 Base-Backbone interact. energy: -2.862 local terms energy: -736.908173 where: bonds (distance) C4'-P energy: -130.242 bonds (distance) P-C4' energy: -134.942 flat angles C4'-P-C4' energy: -166.628 flat angles P-C4'-P energy: -111.912 tors. eta vs tors. theta energy: -193.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2265.357973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.357973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.357973 (E_RNA) where: Base-Base interactions energy: -1567.393 where: short stacking energy: -676.252 Base-Backbone interact. energy: -2.144 local terms energy: -695.821358 where: bonds (distance) C4'-P energy: -126.908 bonds (distance) P-C4' energy: -123.749 flat angles C4'-P-C4' energy: -158.835 flat angles P-C4'-P energy: -99.531 tors. eta vs tors. theta energy: -186.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2165.280869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.280869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.280869 (E_RNA) where: Base-Base interactions energy: -1483.735 where: short stacking energy: -591.761 Base-Backbone interact. energy: -1.410 local terms energy: -680.135832 where: bonds (distance) C4'-P energy: -139.686 bonds (distance) P-C4' energy: -134.369 flat angles C4'-P-C4' energy: -140.804 flat angles P-C4'-P energy: -107.363 tors. eta vs tors. theta energy: -157.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2135.269398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.269398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.269398 (E_RNA) where: Base-Base interactions energy: -1449.947 where: short stacking energy: -650.545 Base-Backbone interact. energy: -1.974 local terms energy: -683.347889 where: bonds (distance) C4'-P energy: -132.775 bonds (distance) P-C4' energy: -127.513 flat angles C4'-P-C4' energy: -149.198 flat angles P-C4'-P energy: -91.638 tors. eta vs tors. theta energy: -182.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1910.601474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.601474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.601474 (E_RNA) where: Base-Base interactions energy: -1316.066 where: short stacking energy: -559.328 Base-Backbone interact. energy: 9.268 local terms energy: -603.803646 where: bonds (distance) C4'-P energy: -101.601 bonds (distance) P-C4' energy: -129.012 flat angles C4'-P-C4' energy: -153.772 flat angles P-C4'-P energy: -85.895 tors. eta vs tors. theta energy: -133.524 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: 10 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1298.582665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.582665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.582665 (E_RNA) where: Base-Base interactions energy: -789.566 where: short stacking energy: -362.856 Base-Backbone interact. energy: -1.255 local terms energy: -507.762018 where: bonds (distance) C4'-P energy: -110.602 bonds (distance) P-C4' energy: -125.129 flat angles C4'-P-C4' energy: -122.681 flat angles P-C4'-P energy: -88.900 tors. eta vs tors. theta energy: -60.449 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: 2 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1161.305295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.305295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.305295 (E_RNA) where: Base-Base interactions energy: -696.301 where: short stacking energy: -321.836 Base-Backbone interact. energy: 3.444 local terms energy: -468.448717 where: bonds (distance) C4'-P energy: -100.308 bonds (distance) P-C4' energy: -130.013 flat angles C4'-P-C4' energy: -122.320 flat angles P-C4'-P energy: -70.327 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: 10, replica: 5 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -952.502585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.502585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.502585 (E_RNA) where: Base-Base interactions energy: -540.126 where: short stacking energy: -284.711 Base-Backbone interact. energy: 13.004 local terms energy: -425.380657 where: bonds (distance) C4'-P energy: -116.661 bonds (distance) P-C4' energy: -109.740 flat angles C4'-P-C4' energy: -119.496 flat angles P-C4'-P energy: -53.217 tors. eta vs tors. theta energy: -26.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2625.011125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.011125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.011125 (E_RNA) where: Base-Base interactions energy: -1787.597 where: short stacking energy: -794.305 Base-Backbone interact. energy: -2.418 local terms energy: -834.996225 where: bonds (distance) C4'-P energy: -154.776 bonds (distance) P-C4' energy: -150.810 flat angles C4'-P-C4' energy: -172.962 flat angles P-C4'-P energy: -113.855 tors. eta vs tors. theta energy: -242.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2574.853100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.853100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.853100 (E_RNA) where: Base-Base interactions energy: -1803.854 where: short stacking energy: -762.604 Base-Backbone interact. energy: -0.439 local terms energy: -770.559565 where: bonds (distance) C4'-P energy: -140.173 bonds (distance) P-C4' energy: -144.576 flat angles C4'-P-C4' energy: -152.608 flat angles P-C4'-P energy: -113.181 tors. eta vs tors. theta energy: -220.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2404.242173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.242173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.242173 (E_RNA) where: Base-Base interactions energy: -1661.863 where: short stacking energy: -688.848 Base-Backbone interact. energy: 0.791 local terms energy: -743.170898 where: bonds (distance) C4'-P energy: -146.271 bonds (distance) P-C4' energy: -153.487 flat angles C4'-P-C4' energy: -146.815 flat angles P-C4'-P energy: -99.810 tors. eta vs tors. theta energy: -196.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2302.566263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.566263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.566263 (E_RNA) where: Base-Base interactions energy: -1588.011 where: short stacking energy: -689.256 Base-Backbone interact. energy: -3.073 local terms energy: -711.482459 where: bonds (distance) C4'-P energy: -136.047 bonds (distance) P-C4' energy: -133.813 flat angles C4'-P-C4' energy: -157.612 flat angles P-C4'-P energy: -105.987 tors. eta vs tors. theta energy: -178.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2225.496750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.496750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.496750 (E_RNA) where: Base-Base interactions energy: -1550.524 where: short stacking energy: -617.129 Base-Backbone interact. energy: -1.965 local terms energy: -673.008582 where: bonds (distance) C4'-P energy: -121.602 bonds (distance) P-C4' energy: -127.144 flat angles C4'-P-C4' energy: -158.969 flat angles P-C4'-P energy: -95.776 tors. eta vs tors. theta energy: -169.517 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: 7 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2111.899416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.899416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.899416 (E_RNA) where: Base-Base interactions energy: -1442.452 where: short stacking energy: -623.598 Base-Backbone interact. energy: -1.648 local terms energy: -667.799587 where: bonds (distance) C4'-P energy: -129.353 bonds (distance) P-C4' energy: -116.063 flat angles C4'-P-C4' energy: -150.785 flat angles P-C4'-P energy: -92.685 tors. eta vs tors. theta energy: -178.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1949.261289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.261289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.261289 (E_RNA) where: Base-Base interactions energy: -1282.805 where: short stacking energy: -555.184 Base-Backbone interact. energy: -1.409 local terms energy: -665.047120 where: bonds (distance) C4'-P energy: -127.907 bonds (distance) P-C4' energy: -140.954 flat angles C4'-P-C4' energy: -156.434 flat angles P-C4'-P energy: -101.987 tors. eta vs tors. theta energy: -137.765 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: 10 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1219.705671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.705671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.705671 (E_RNA) where: Base-Base interactions energy: -746.979 where: short stacking energy: -351.755 Base-Backbone interact. energy: -1.370 local terms energy: -471.356766 where: bonds (distance) C4'-P energy: -111.685 bonds (distance) P-C4' energy: -135.231 flat angles C4'-P-C4' energy: -118.201 flat angles P-C4'-P energy: -69.526 tors. eta vs tors. theta energy: -36.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1152.686006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.686006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.686006 (E_RNA) where: Base-Base interactions energy: -675.046 where: short stacking energy: -334.993 Base-Backbone interact. energy: -1.838 local terms energy: -475.801955 where: bonds (distance) C4'-P energy: -118.874 bonds (distance) P-C4' energy: -131.041 flat angles C4'-P-C4' energy: -115.352 flat angles P-C4'-P energy: -57.244 tors. eta vs tors. theta energy: -53.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -1009.581453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.581453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.581453 (E_RNA) where: Base-Base interactions energy: -561.862 where: short stacking energy: -268.017 Base-Backbone interact. energy: 1.359 local terms energy: -449.078064 where: bonds (distance) C4'-P energy: -118.015 bonds (distance) P-C4' energy: -125.197 flat angles C4'-P-C4' energy: -94.276 flat angles P-C4'-P energy: -86.463 tors. eta vs tors. theta energy: -25.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2651.302939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.302939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.302939 (E_RNA) where: Base-Base interactions energy: -1811.786 where: short stacking energy: -818.356 Base-Backbone interact. energy: -4.734 local terms energy: -834.783019 where: bonds (distance) C4'-P energy: -142.809 bonds (distance) P-C4' energy: -158.845 flat angles C4'-P-C4' energy: -175.751 flat angles P-C4'-P energy: -110.121 tors. eta vs tors. theta energy: -247.257 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: 4 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2556.843630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.843630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.843630 (E_RNA) where: Base-Base interactions energy: -1804.905 where: short stacking energy: -778.397 Base-Backbone interact. energy: -1.469 local terms energy: -750.468901 where: bonds (distance) C4'-P energy: -126.844 bonds (distance) P-C4' energy: -134.529 flat angles C4'-P-C4' energy: -165.023 flat angles P-C4'-P energy: -104.327 tors. eta vs tors. theta energy: -219.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2410.680165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.680165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.680165 (E_RNA) where: Base-Base interactions energy: -1655.160 where: short stacking energy: -681.202 Base-Backbone interact. energy: -5.361 local terms energy: -750.158629 where: bonds (distance) C4'-P energy: -142.684 bonds (distance) P-C4' energy: -142.956 flat angles C4'-P-C4' energy: -161.767 flat angles P-C4'-P energy: -102.700 tors. eta vs tors. theta energy: -200.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2268.517333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.517333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.517333 (E_RNA) where: Base-Base interactions energy: -1563.089 where: short stacking energy: -669.334 Base-Backbone interact. energy: -0.854 local terms energy: -704.575051 where: bonds (distance) C4'-P energy: -135.586 bonds (distance) P-C4' energy: -144.247 flat angles C4'-P-C4' energy: -150.429 flat angles P-C4'-P energy: -97.730 tors. eta vs tors. theta energy: -176.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2215.331320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.331320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.331320 (E_RNA) where: Base-Base interactions energy: -1504.891 where: short stacking energy: -654.341 Base-Backbone interact. energy: -2.578 local terms energy: -707.862401 where: bonds (distance) C4'-P energy: -123.878 bonds (distance) P-C4' energy: -148.530 flat angles C4'-P-C4' energy: -144.518 flat angles P-C4'-P energy: -101.952 tors. eta vs tors. theta energy: -188.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2096.082044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.082044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.082044 (E_RNA) where: Base-Base interactions energy: -1425.089 where: short stacking energy: -620.681 Base-Backbone interact. energy: -4.178 local terms energy: -666.815505 where: bonds (distance) C4'-P energy: -129.490 bonds (distance) P-C4' energy: -126.526 flat angles C4'-P-C4' energy: -122.589 flat angles P-C4'-P energy: -94.990 tors. eta vs tors. theta energy: -193.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1879.465800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.465800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.465800 (E_RNA) where: Base-Base interactions energy: -1277.061 where: short stacking energy: -541.256 Base-Backbone interact. energy: 5.731 local terms energy: -608.135887 where: bonds (distance) C4'-P energy: -120.998 bonds (distance) P-C4' energy: -115.494 flat angles C4'-P-C4' energy: -149.292 flat angles P-C4'-P energy: -93.366 tors. eta vs tors. theta energy: -128.985 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: 10 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1235.086394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.086394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.086394 (E_RNA) where: Base-Base interactions energy: -785.896 where: short stacking energy: -338.286 Base-Backbone interact. energy: -1.572 local terms energy: -447.617738 where: bonds (distance) C4'-P energy: -109.988 bonds (distance) P-C4' energy: -100.441 flat angles C4'-P-C4' energy: -109.457 flat angles P-C4'-P energy: -73.270 tors. eta vs tors. theta energy: -54.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1158.765294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.765294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.765294 (E_RNA) where: Base-Base interactions energy: -691.508 where: short stacking energy: -332.729 Base-Backbone interact. energy: -2.874 local terms energy: -464.382638 where: bonds (distance) C4'-P energy: -122.999 bonds (distance) P-C4' energy: -109.082 flat angles C4'-P-C4' energy: -120.758 flat angles P-C4'-P energy: -73.834 tors. eta vs tors. theta energy: -37.709 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: 5 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -1047.000713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.000713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.000713 (E_RNA) where: Base-Base interactions energy: -620.125 where: short stacking energy: -289.740 Base-Backbone interact. energy: -1.057 local terms energy: -425.818678 where: bonds (distance) C4'-P energy: -111.579 bonds (distance) P-C4' energy: -116.291 flat angles C4'-P-C4' energy: -105.974 flat angles P-C4'-P energy: -64.773 tors. eta vs tors. theta energy: -27.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2640.364097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.364097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.364097 (E_RNA) where: Base-Base interactions energy: -1816.221 where: short stacking energy: -786.664 Base-Backbone interact. energy: -2.420 local terms energy: -821.722696 where: bonds (distance) C4'-P energy: -137.310 bonds (distance) P-C4' energy: -152.195 flat angles C4'-P-C4' energy: -174.397 flat angles P-C4'-P energy: -125.443 tors. eta vs tors. theta energy: -232.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2550.777296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.777296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.777296 (E_RNA) where: Base-Base interactions energy: -1765.230 where: short stacking energy: -746.196 Base-Backbone interact. energy: -3.185 local terms energy: -782.362307 where: bonds (distance) C4'-P energy: -147.535 bonds (distance) P-C4' energy: -134.658 flat angles C4'-P-C4' energy: -170.365 flat angles P-C4'-P energy: -103.184 tors. eta vs tors. theta energy: -226.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2415.895185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.895185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.895185 (E_RNA) where: Base-Base interactions energy: -1673.344 where: short stacking energy: -678.560 Base-Backbone interact. energy: -0.068 local terms energy: -742.483188 where: bonds (distance) C4'-P energy: -130.197 bonds (distance) P-C4' energy: -154.547 flat angles C4'-P-C4' energy: -142.422 flat angles P-C4'-P energy: -117.377 tors. eta vs tors. theta energy: -197.940 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: 454 Temperature: 1.050000 Total energy: -2274.347529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.347529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.347529 (E_RNA) where: Base-Base interactions energy: -1553.945 where: short stacking energy: -658.677 Base-Backbone interact. energy: -0.662 local terms energy: -719.740187 where: bonds (distance) C4'-P energy: -136.786 bonds (distance) P-C4' energy: -136.848 flat angles C4'-P-C4' energy: -155.518 flat angles P-C4'-P energy: -103.696 tors. eta vs tors. theta energy: -186.892 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: 6 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2230.674702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.674702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.674702 (E_RNA) where: Base-Base interactions energy: -1535.746 where: short stacking energy: -676.572 Base-Backbone interact. energy: 0.556 local terms energy: -695.485016 where: bonds (distance) C4'-P energy: -127.928 bonds (distance) P-C4' energy: -136.893 flat angles C4'-P-C4' energy: -157.007 flat angles P-C4'-P energy: -86.336 tors. eta vs tors. theta energy: -187.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2115.185368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.185368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.185368 (E_RNA) where: Base-Base interactions energy: -1431.747 where: short stacking energy: -586.606 Base-Backbone interact. energy: 0.474 local terms energy: -683.911560 where: bonds (distance) C4'-P energy: -121.728 bonds (distance) P-C4' energy: -136.843 flat angles C4'-P-C4' energy: -149.546 flat angles P-C4'-P energy: -104.908 tors. eta vs tors. theta energy: -170.887 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: 454 Temperature: 1.200000 Total energy: -1892.958296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.958296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.958296 (E_RNA) where: Base-Base interactions energy: -1270.983 where: short stacking energy: -521.401 Base-Backbone interact. energy: -2.625 local terms energy: -619.351015 where: bonds (distance) C4'-P energy: -130.762 bonds (distance) P-C4' energy: -142.014 flat angles C4'-P-C4' energy: -126.360 flat angles P-C4'-P energy: -92.089 tors. eta vs tors. theta energy: -128.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1270.653078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.653078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.653078 (E_RNA) where: Base-Base interactions energy: -750.163 where: short stacking energy: -372.747 Base-Backbone interact. energy: -3.598 local terms energy: -516.891886 where: bonds (distance) C4'-P energy: -126.492 bonds (distance) P-C4' energy: -111.134 flat angles C4'-P-C4' energy: -124.330 flat angles P-C4'-P energy: -81.023 tors. eta vs tors. theta energy: -73.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1175.999811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.999811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.999811 (E_RNA) where: Base-Base interactions energy: -708.188 where: short stacking energy: -352.408 Base-Backbone interact. energy: 0.491 local terms energy: -468.303773 where: bonds (distance) C4'-P energy: -102.286 bonds (distance) P-C4' energy: -115.780 flat angles C4'-P-C4' energy: -118.863 flat angles P-C4'-P energy: -77.082 tors. eta vs tors. theta energy: -54.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -991.458172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.458172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.458172 (E_RNA) where: Base-Base interactions energy: -541.756 where: short stacking energy: -288.728 Base-Backbone interact. energy: -0.773 local terms energy: -448.929545 where: bonds (distance) C4'-P energy: -111.628 bonds (distance) P-C4' energy: -122.583 flat angles C4'-P-C4' energy: -115.482 flat angles P-C4'-P energy: -68.694 tors. eta vs tors. theta energy: -30.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2648.066249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.066249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.066249 (E_RNA) where: Base-Base interactions energy: -1850.374 where: short stacking energy: -810.720 Base-Backbone interact. energy: -0.134 local terms energy: -797.558475 where: bonds (distance) C4'-P energy: -145.518 bonds (distance) P-C4' energy: -141.298 flat angles C4'-P-C4' energy: -172.300 flat angles P-C4'-P energy: -116.675 tors. eta vs tors. theta energy: -221.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2552.907826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.907826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.907826 (E_RNA) where: Base-Base interactions energy: -1774.372 where: short stacking energy: -763.587 Base-Backbone interact. energy: -3.411 local terms energy: -775.124981 where: bonds (distance) C4'-P energy: -138.845 bonds (distance) P-C4' energy: -148.229 flat angles C4'-P-C4' energy: -163.499 flat angles P-C4'-P energy: -104.210 tors. eta vs tors. theta energy: -220.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2412.580295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.580295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.580295 (E_RNA) where: Base-Base interactions energy: -1667.101 where: short stacking energy: -708.345 Base-Backbone interact. energy: -3.768 local terms energy: -741.711216 where: bonds (distance) C4'-P energy: -140.987 bonds (distance) P-C4' energy: -148.890 flat angles C4'-P-C4' energy: -164.768 flat angles P-C4'-P energy: -96.224 tors. eta vs tors. theta energy: -190.842 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: 4, replica: 3 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2324.682652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.682652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.682652 (E_RNA) where: Base-Base interactions energy: -1588.559 where: short stacking energy: -673.047 Base-Backbone interact. energy: -1.635 local terms energy: -734.489127 where: bonds (distance) C4'-P energy: -132.354 bonds (distance) P-C4' energy: -128.298 flat angles C4'-P-C4' energy: -165.875 flat angles P-C4'-P energy: -111.096 tors. eta vs tors. theta energy: -196.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2216.113351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.113351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.113351 (E_RNA) where: Base-Base interactions energy: -1527.252 where: short stacking energy: -638.343 Base-Backbone interact. energy: -3.227 local terms energy: -685.634565 where: bonds (distance) C4'-P energy: -112.549 bonds (distance) P-C4' energy: -136.102 flat angles C4'-P-C4' energy: -149.754 flat angles P-C4'-P energy: -102.503 tors. eta vs tors. theta energy: -184.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2073.866344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.866344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.866344 (E_RNA) where: Base-Base interactions energy: -1432.098 where: short stacking energy: -602.234 Base-Backbone interact. energy: -2.559 local terms energy: -639.208602 where: bonds (distance) C4'-P energy: -116.915 bonds (distance) P-C4' energy: -119.097 flat angles C4'-P-C4' energy: -143.247 flat angles P-C4'-P energy: -91.076 tors. eta vs tors. theta energy: -168.874 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: 9 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1984.139132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.139132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.139132 (E_RNA) where: Base-Base interactions energy: -1327.657 where: short stacking energy: -588.513 Base-Backbone interact. energy: -3.877 local terms energy: -652.604551 where: bonds (distance) C4'-P energy: -124.639 bonds (distance) P-C4' energy: -123.987 flat angles C4'-P-C4' energy: -150.866 flat angles P-C4'-P energy: -96.642 tors. eta vs tors. theta energy: -156.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1256.797597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.797597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.797597 (E_RNA) where: Base-Base interactions energy: -756.958 where: short stacking energy: -341.612 Base-Backbone interact. energy: -2.011 local terms energy: -497.827828 where: bonds (distance) C4'-P energy: -106.780 bonds (distance) P-C4' energy: -140.782 flat angles C4'-P-C4' energy: -132.723 flat angles P-C4'-P energy: -73.967 tors. eta vs tors. theta energy: -43.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1107.537451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.537451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.537451 (E_RNA) where: Base-Base interactions energy: -677.046 where: short stacking energy: -326.460 Base-Backbone interact. energy: 1.745 local terms energy: -432.236510 where: bonds (distance) C4'-P energy: -102.367 bonds (distance) P-C4' energy: -125.160 flat angles C4'-P-C4' energy: -98.613 flat angles P-C4'-P energy: -74.882 tors. eta vs tors. theta energy: -31.214 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: 5 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -1019.290285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.290285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.290285 (E_RNA) where: Base-Base interactions energy: -609.408 where: short stacking energy: -300.604 Base-Backbone interact. energy: -3.539 local terms energy: -406.342608 where: bonds (distance) C4'-P energy: -106.736 bonds (distance) P-C4' energy: -107.007 flat angles C4'-P-C4' energy: -107.428 flat angles P-C4'-P energy: -57.088 tors. eta vs tors. theta energy: -28.084 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: 1, replica: 1 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2659.266220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.266220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.266220 (E_RNA) where: Base-Base interactions energy: -1857.758 where: short stacking energy: -838.146 Base-Backbone interact. energy: -3.443 local terms energy: -798.064814 where: bonds (distance) C4'-P energy: -129.986 bonds (distance) P-C4' energy: -151.267 flat angles C4'-P-C4' energy: -165.511 flat angles P-C4'-P energy: -111.412 tors. eta vs tors. theta energy: -239.890 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: 4 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2577.107548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.107548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.107548 (E_RNA) where: Base-Base interactions energy: -1797.451 where: short stacking energy: -779.250 Base-Backbone interact. energy: -4.115 local terms energy: -775.541588 where: bonds (distance) C4'-P energy: -152.212 bonds (distance) P-C4' energy: -127.797 flat angles C4'-P-C4' energy: -158.936 flat angles P-C4'-P energy: -113.199 tors. eta vs tors. theta energy: -223.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2424.376474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.376474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.376474 (E_RNA) where: Base-Base interactions energy: -1686.357 where: short stacking energy: -692.197 Base-Backbone interact. energy: 2.658 local terms energy: -740.677393 where: bonds (distance) C4'-P energy: -149.186 bonds (distance) P-C4' energy: -131.865 flat angles C4'-P-C4' energy: -155.138 flat angles P-C4'-P energy: -102.503 tors. eta vs tors. theta energy: -201.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2310.271762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.271762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.271762 (E_RNA) where: Base-Base interactions energy: -1596.503 where: short stacking energy: -657.455 Base-Backbone interact. energy: 3.483 local terms energy: -717.251577 where: bonds (distance) C4'-P energy: -140.411 bonds (distance) P-C4' energy: -122.681 flat angles C4'-P-C4' energy: -152.821 flat angles P-C4'-P energy: -109.851 tors. eta vs tors. theta energy: -191.488 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: 6 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2226.906073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.906073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.906073 (E_RNA) where: Base-Base interactions energy: -1515.599 where: short stacking energy: -666.177 Base-Backbone interact. energy: -3.236 local terms energy: -708.071456 where: bonds (distance) C4'-P energy: -136.747 bonds (distance) P-C4' energy: -126.455 flat angles C4'-P-C4' energy: -161.245 flat angles P-C4'-P energy: -93.840 tors. eta vs tors. theta energy: -189.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -2008.140306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.140306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.140306 (E_RNA) where: Base-Base interactions energy: -1368.232 where: short stacking energy: -586.913 Base-Backbone interact. energy: -1.505 local terms energy: -638.403751 where: bonds (distance) C4'-P energy: -118.107 bonds (distance) P-C4' energy: -126.361 flat angles C4'-P-C4' energy: -145.522 flat angles P-C4'-P energy: -93.626 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: 9 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1947.617899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.617899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.617899 (E_RNA) where: Base-Base interactions energy: -1315.473 where: short stacking energy: -561.644 Base-Backbone interact. energy: -3.779 local terms energy: -628.366245 where: bonds (distance) C4'-P energy: -129.109 bonds (distance) P-C4' energy: -131.666 flat angles C4'-P-C4' energy: -145.882 flat angles P-C4'-P energy: -81.004 tors. eta vs tors. theta energy: -140.704 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: 8, replica: 10 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1318.310749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.310749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.310749 (E_RNA) where: Base-Base interactions energy: -811.921 where: short stacking energy: -395.893 Base-Backbone interact. energy: 10.117 local terms energy: -516.506818 where: bonds (distance) C4'-P energy: -115.603 bonds (distance) P-C4' energy: -120.577 flat angles C4'-P-C4' energy: -113.762 flat angles P-C4'-P energy: -87.187 tors. eta vs tors. theta energy: -79.377 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: 9, replica: 2 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1056.183867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.183867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.183867 (E_RNA) where: Base-Base interactions energy: -628.979 where: short stacking energy: -300.177 Base-Backbone interact. energy: 1.169 local terms energy: -428.373238 where: bonds (distance) C4'-P energy: -124.658 bonds (distance) P-C4' energy: -115.307 flat angles C4'-P-C4' energy: -98.127 flat angles P-C4'-P energy: -57.471 tors. eta vs tors. theta energy: -32.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -1089.907829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.907829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.907829 (E_RNA) where: Base-Base interactions energy: -666.828 where: short stacking energy: -344.868 Base-Backbone interact. energy: -2.457 local terms energy: -420.623018 where: bonds (distance) C4'-P energy: -111.992 bonds (distance) P-C4' energy: -104.075 flat angles C4'-P-C4' energy: -99.456 flat angles P-C4'-P energy: -54.232 tors. eta vs tors. theta energy: -50.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2660.275217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.275217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.275217 (E_RNA) where: Base-Base interactions energy: -1836.287 where: short stacking energy: -794.820 Base-Backbone interact. energy: -4.380 local terms energy: -819.608173 where: bonds (distance) C4'-P energy: -150.068 bonds (distance) P-C4' energy: -150.951 flat angles C4'-P-C4' energy: -162.331 flat angles P-C4'-P energy: -117.747 tors. eta vs tors. theta energy: -238.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2563.065388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.065388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.065388 (E_RNA) where: Base-Base interactions energy: -1764.347 where: short stacking energy: -751.714 Base-Backbone interact. energy: -2.982 local terms energy: -795.736757 where: bonds (distance) C4'-P energy: -130.700 bonds (distance) P-C4' energy: -166.072 flat angles C4'-P-C4' energy: -165.147 flat angles P-C4'-P energy: -109.861 tors. eta vs tors. theta energy: -223.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2419.258750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.258750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.258750 (E_RNA) where: Base-Base interactions energy: -1656.844 where: short stacking energy: -713.909 Base-Backbone interact. energy: 1.381 local terms energy: -763.795754 where: bonds (distance) C4'-P energy: -139.515 bonds (distance) P-C4' energy: -166.542 flat angles C4'-P-C4' energy: -156.089 flat angles P-C4'-P energy: -99.956 tors. eta vs tors. theta energy: -201.694 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: 3 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2301.954361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.954361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.954361 (E_RNA) where: Base-Base interactions energy: -1599.599 where: short stacking energy: -682.418 Base-Backbone interact. energy: 0.663 local terms energy: -703.018227 where: bonds (distance) C4'-P energy: -132.503 bonds (distance) P-C4' energy: -139.405 flat angles C4'-P-C4' energy: -146.434 flat angles P-C4'-P energy: -94.604 tors. eta vs tors. theta energy: -190.071 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: 6 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2251.976488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.976488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.976488 (E_RNA) where: Base-Base interactions energy: -1533.808 where: short stacking energy: -656.244 Base-Backbone interact. energy: -3.322 local terms energy: -714.846868 where: bonds (distance) C4'-P energy: -129.870 bonds (distance) P-C4' energy: -144.039 flat angles C4'-P-C4' energy: -156.552 flat angles P-C4'-P energy: -93.373 tors. eta vs tors. theta energy: -191.013 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: 7 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2019.638519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.638519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.638519 (E_RNA) where: Base-Base interactions energy: -1371.332 where: short stacking energy: -584.324 Base-Backbone interact. energy: -1.668 local terms energy: -646.638615 where: bonds (distance) C4'-P energy: -124.891 bonds (distance) P-C4' energy: -131.699 flat angles C4'-P-C4' energy: -144.793 flat angles P-C4'-P energy: -93.993 tors. eta vs tors. theta energy: -151.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1967.445660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.445660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.445660 (E_RNA) where: Base-Base interactions energy: -1347.715 where: short stacking energy: -560.166 Base-Backbone interact. energy: 1.487 local terms energy: -621.217196 where: bonds (distance) C4'-P energy: -119.835 bonds (distance) P-C4' energy: -132.040 flat angles C4'-P-C4' energy: -153.578 flat angles P-C4'-P energy: -61.363 tors. eta vs tors. theta energy: -154.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1338.929416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.929416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.929416 (E_RNA) where: Base-Base interactions energy: -852.899 where: short stacking energy: -401.124 Base-Backbone interact. energy: 1.257 local terms energy: -487.287416 where: bonds (distance) C4'-P energy: -137.753 bonds (distance) P-C4' energy: -111.169 flat angles C4'-P-C4' energy: -120.542 flat angles P-C4'-P energy: -61.983 tors. eta vs tors. theta energy: -55.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1058.696247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.696247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.696247 (E_RNA) where: Base-Base interactions energy: -579.773 where: short stacking energy: -284.022 Base-Backbone interact. energy: -0.773 local terms energy: -478.150579 where: bonds (distance) C4'-P energy: -118.471 bonds (distance) P-C4' energy: -143.786 flat angles C4'-P-C4' energy: -107.617 flat angles P-C4'-P energy: -73.846 tors. eta vs tors. theta energy: -34.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -1052.746438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.746438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.746438 (E_RNA) where: Base-Base interactions energy: -635.718 where: short stacking energy: -317.914 Base-Backbone interact. energy: 8.054 local terms energy: -425.082930 where: bonds (distance) C4'-P energy: -113.182 bonds (distance) P-C4' energy: -107.330 flat angles C4'-P-C4' energy: -107.604 flat angles P-C4'-P energy: -62.637 tors. eta vs tors. theta energy: -34.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2632.642477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.642477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.642477 (E_RNA) where: Base-Base interactions energy: -1802.919 where: short stacking energy: -812.831 Base-Backbone interact. energy: -0.402 local terms energy: -829.321922 where: bonds (distance) C4'-P energy: -152.678 bonds (distance) P-C4' energy: -151.937 flat angles C4'-P-C4' energy: -167.160 flat angles P-C4'-P energy: -118.699 tors. eta vs tors. theta energy: -238.847 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: 4 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2577.690687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.690687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.690687 (E_RNA) where: Base-Base interactions energy: -1793.342 where: short stacking energy: -761.942 Base-Backbone interact. energy: -3.566 local terms energy: -780.782769 where: bonds (distance) C4'-P energy: -134.287 bonds (distance) P-C4' energy: -155.196 flat angles C4'-P-C4' energy: -162.953 flat angles P-C4'-P energy: -117.738 tors. eta vs tors. theta energy: -210.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2386.977169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.977169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.977169 (E_RNA) where: Base-Base interactions energy: -1627.157 where: short stacking energy: -700.744 Base-Backbone interact. energy: -3.558 local terms energy: -756.261698 where: bonds (distance) C4'-P energy: -150.310 bonds (distance) P-C4' energy: -132.583 flat angles C4'-P-C4' energy: -160.066 flat angles P-C4'-P energy: -100.879 tors. eta vs tors. theta energy: -212.423 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: 458 Temperature: 1.050000 Total energy: -2299.266121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.266121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.266121 (E_RNA) where: Base-Base interactions energy: -1565.138 where: short stacking energy: -680.401 Base-Backbone interact. energy: -0.863 local terms energy: -733.265230 where: bonds (distance) C4'-P energy: -128.429 bonds (distance) P-C4' energy: -142.347 flat angles C4'-P-C4' energy: -159.058 flat angles P-C4'-P energy: -106.678 tors. eta vs tors. theta energy: -196.753 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: 458 Temperature: 1.100000 Total energy: -2240.589223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.589223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.589223 (E_RNA) where: Base-Base interactions energy: -1536.810 where: short stacking energy: -660.601 Base-Backbone interact. energy: -3.105 local terms energy: -700.674597 where: bonds (distance) C4'-P energy: -137.272 bonds (distance) P-C4' energy: -133.224 flat angles C4'-P-C4' energy: -150.800 flat angles P-C4'-P energy: -104.760 tors. eta vs tors. theta energy: -174.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2090.051985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.051985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.051985 (E_RNA) where: Base-Base interactions energy: -1393.442 where: short stacking energy: -623.040 Base-Backbone interact. energy: -0.863 local terms energy: -695.747335 where: bonds (distance) C4'-P energy: -136.823 bonds (distance) P-C4' energy: -136.860 flat angles C4'-P-C4' energy: -155.731 flat angles P-C4'-P energy: -83.624 tors. eta vs tors. theta energy: -182.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1939.893635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.893635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.893635 (E_RNA) where: Base-Base interactions energy: -1293.608 where: short stacking energy: -542.352 Base-Backbone interact. energy: -2.236 local terms energy: -644.050126 where: bonds (distance) C4'-P energy: -131.945 bonds (distance) P-C4' energy: -148.992 flat angles C4'-P-C4' energy: -124.598 flat angles P-C4'-P energy: -96.846 tors. eta vs tors. theta energy: -141.668 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: 10 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1287.651933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.651933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.651933 (E_RNA) where: Base-Base interactions energy: -783.777 where: short stacking energy: -395.798 Base-Backbone interact. energy: -0.075 local terms energy: -503.799882 where: bonds (distance) C4'-P energy: -106.104 bonds (distance) P-C4' energy: -133.288 flat angles C4'-P-C4' energy: -122.815 flat angles P-C4'-P energy: -60.725 tors. eta vs tors. theta energy: -80.868 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: 5 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1115.451603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.451603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.451603 (E_RNA) where: Base-Base interactions energy: -647.909 where: short stacking energy: -314.994 Base-Backbone interact. energy: 3.851 local terms energy: -471.393479 where: bonds (distance) C4'-P energy: -127.526 bonds (distance) P-C4' energy: -123.239 flat angles C4'-P-C4' energy: -120.710 flat angles P-C4'-P energy: -69.418 tors. eta vs tors. theta energy: -30.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -909.948770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.948770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.948770 (E_RNA) where: Base-Base interactions energy: -505.330 where: short stacking energy: -273.503 Base-Backbone interact. energy: -0.315 local terms energy: -404.303075 where: bonds (distance) C4'-P energy: -106.638 bonds (distance) P-C4' energy: -116.376 flat angles C4'-P-C4' energy: -101.681 flat angles P-C4'-P energy: -64.982 tors. eta vs tors. theta energy: -14.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2618.629472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.629472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.629472 (E_RNA) where: Base-Base interactions energy: -1785.742 where: short stacking energy: -798.117 Base-Backbone interact. energy: -2.084 local terms energy: -830.803454 where: bonds (distance) C4'-P energy: -147.252 bonds (distance) P-C4' energy: -157.713 flat angles C4'-P-C4' energy: -173.492 flat angles P-C4'-P energy: -116.126 tors. eta vs tors. theta energy: -236.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2578.530131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.530131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.530131 (E_RNA) where: Base-Base interactions energy: -1806.398 where: short stacking energy: -764.915 Base-Backbone interact. energy: -5.610 local terms energy: -766.522472 where: bonds (distance) C4'-P energy: -139.930 bonds (distance) P-C4' energy: -146.134 flat angles C4'-P-C4' energy: -165.616 flat angles P-C4'-P energy: -98.079 tors. eta vs tors. theta energy: -216.763 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: 3, replica: 8 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2469.399437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.399437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.399437 (E_RNA) where: Base-Base interactions energy: -1718.646 where: short stacking energy: -741.594 Base-Backbone interact. energy: -3.194 local terms energy: -747.560252 where: bonds (distance) C4'-P energy: -136.538 bonds (distance) P-C4' energy: -143.494 flat angles C4'-P-C4' energy: -150.200 flat angles P-C4'-P energy: -111.392 tors. eta vs tors. theta energy: -205.936 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: 4, replica: 6 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2332.600928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.600928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.600928 (E_RNA) where: Base-Base interactions energy: -1638.265 where: short stacking energy: -671.456 Base-Backbone interact. energy: -2.186 local terms energy: -692.149914 where: bonds (distance) C4'-P energy: -124.233 bonds (distance) P-C4' energy: -136.521 flat angles C4'-P-C4' energy: -169.623 flat angles P-C4'-P energy: -93.518 tors. eta vs tors. theta energy: -168.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2225.374100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.374100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.374100 (E_RNA) where: Base-Base interactions energy: -1532.169 where: short stacking energy: -649.037 Base-Backbone interact. energy: -1.301 local terms energy: -691.904049 where: bonds (distance) C4'-P energy: -133.542 bonds (distance) P-C4' energy: -130.250 flat angles C4'-P-C4' energy: -164.669 flat angles P-C4'-P energy: -96.023 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: 6, replica: 7 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2168.148497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.148497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.148497 (E_RNA) where: Base-Base interactions energy: -1456.693 where: short stacking energy: -654.033 Base-Backbone interact. energy: -1.676 local terms energy: -709.780049 where: bonds (distance) C4'-P energy: -142.331 bonds (distance) P-C4' energy: -139.747 flat angles C4'-P-C4' energy: -148.322 flat angles P-C4'-P energy: -96.439 tors. eta vs tors. theta energy: -182.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1874.808670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.808670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.808670 (E_RNA) where: Base-Base interactions energy: -1263.778 where: short stacking energy: -545.729 Base-Backbone interact. energy: -2.323 local terms energy: -608.707094 where: bonds (distance) C4'-P energy: -145.610 bonds (distance) P-C4' energy: -123.106 flat angles C4'-P-C4' energy: -115.815 flat angles P-C4'-P energy: -90.640 tors. eta vs tors. theta energy: -133.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1243.085370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.085370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.085370 (E_RNA) where: Base-Base interactions energy: -731.865 where: short stacking energy: -356.059 Base-Backbone interact. energy: -3.576 local terms energy: -507.643866 where: bonds (distance) C4'-P energy: -132.437 bonds (distance) P-C4' energy: -119.396 flat angles C4'-P-C4' energy: -125.365 flat angles P-C4'-P energy: -74.162 tors. eta vs tors. theta energy: -56.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1114.190898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.190898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.190898 (E_RNA) where: Base-Base interactions energy: -652.791 where: short stacking energy: -328.420 Base-Backbone interact. energy: 1.040 local terms energy: -462.440226 where: bonds (distance) C4'-P energy: -114.195 bonds (distance) P-C4' energy: -108.105 flat angles C4'-P-C4' energy: -129.610 flat angles P-C4'-P energy: -67.489 tors. eta vs tors. theta energy: -43.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -1047.901974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.901974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.901974 (E_RNA) where: Base-Base interactions energy: -589.006 where: short stacking energy: -277.167 Base-Backbone interact. energy: 9.135 local terms energy: -468.031432 where: bonds (distance) C4'-P energy: -120.122 bonds (distance) P-C4' energy: -130.380 flat angles C4'-P-C4' energy: -114.199 flat angles P-C4'-P energy: -70.925 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: 1, replica: 1 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2671.116745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.116745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.116745 (E_RNA) where: Base-Base interactions energy: -1836.462 where: short stacking energy: -808.704 Base-Backbone interact. energy: -0.604 local terms energy: -834.050852 where: bonds (distance) C4'-P energy: -146.088 bonds (distance) P-C4' energy: -160.616 flat angles C4'-P-C4' energy: -180.400 flat angles P-C4'-P energy: -112.597 tors. eta vs tors. theta energy: -234.351 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: 4 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2591.571484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.571484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.571484 (E_RNA) where: Base-Base interactions energy: -1800.883 where: short stacking energy: -770.468 Base-Backbone interact. energy: 0.012 local terms energy: -790.700564 where: bonds (distance) C4'-P energy: -147.949 bonds (distance) P-C4' energy: -149.792 flat angles C4'-P-C4' energy: -173.016 flat angles P-C4'-P energy: -99.724 tors. eta vs tors. theta energy: -220.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2436.747314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.747314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.747314 (E_RNA) where: Base-Base interactions energy: -1666.639 where: short stacking energy: -705.748 Base-Backbone interact. energy: 4.345 local terms energy: -774.453246 where: bonds (distance) C4'-P energy: -134.951 bonds (distance) P-C4' energy: -151.722 flat angles C4'-P-C4' energy: -160.040 flat angles P-C4'-P energy: -117.913 tors. eta vs tors. theta energy: -209.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2256.660109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.660109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.660109 (E_RNA) where: Base-Base interactions energy: -1563.995 where: short stacking energy: -654.941 Base-Backbone interact. energy: -1.382 local terms energy: -691.283376 where: bonds (distance) C4'-P energy: -119.391 bonds (distance) P-C4' energy: -143.215 flat angles C4'-P-C4' energy: -158.870 flat angles P-C4'-P energy: -101.150 tors. eta vs tors. theta energy: -168.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2256.077704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.077704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.077704 (E_RNA) where: Base-Base interactions energy: -1540.976 where: short stacking energy: -642.201 Base-Backbone interact. energy: -3.956 local terms energy: -711.145630 where: bonds (distance) C4'-P energy: -128.190 bonds (distance) P-C4' energy: -130.371 flat angles C4'-P-C4' energy: -156.797 flat angles P-C4'-P energy: -111.346 tors. eta vs tors. theta energy: -184.441 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: 7 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2129.424177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.424177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.424177 (E_RNA) where: Base-Base interactions energy: -1438.907 where: short stacking energy: -628.917 Base-Backbone interact. energy: 0.112 local terms energy: -690.629309 where: bonds (distance) C4'-P energy: -136.389 bonds (distance) P-C4' energy: -119.546 flat angles C4'-P-C4' energy: -148.200 flat angles P-C4'-P energy: -95.934 tors. eta vs tors. theta energy: -190.559 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: 7, replica: 9 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1909.300970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.300970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.300970 (E_RNA) where: Base-Base interactions energy: -1293.156 where: short stacking energy: -544.855 Base-Backbone interact. energy: -4.893 local terms energy: -611.251988 where: bonds (distance) C4'-P energy: -118.493 bonds (distance) P-C4' energy: -120.233 flat angles C4'-P-C4' energy: -137.953 flat angles P-C4'-P energy: -78.337 tors. eta vs tors. theta energy: -156.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1224.815240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.815240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.815240 (E_RNA) where: Base-Base interactions energy: -712.527 where: short stacking energy: -356.584 Base-Backbone interact. energy: 2.431 local terms energy: -514.719253 where: bonds (distance) C4'-P energy: -106.853 bonds (distance) P-C4' energy: -145.575 flat angles C4'-P-C4' energy: -133.824 flat angles P-C4'-P energy: -67.289 tors. eta vs tors. theta energy: -61.178 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: 5 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1125.414030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.414030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.414030 (E_RNA) where: Base-Base interactions energy: -670.538 where: short stacking energy: -306.478 Base-Backbone interact. energy: 4.738 local terms energy: -459.614254 where: bonds (distance) C4'-P energy: -134.601 bonds (distance) P-C4' energy: -105.756 flat angles C4'-P-C4' energy: -103.789 flat angles P-C4'-P energy: -76.546 tors. eta vs tors. theta energy: -38.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -1049.754132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.754132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.754132 (E_RNA) where: Base-Base interactions energy: -635.205 where: short stacking energy: -284.746 Base-Backbone interact. energy: 0.039 local terms energy: -414.587451 where: bonds (distance) C4'-P energy: -109.498 bonds (distance) P-C4' energy: -116.150 flat angles C4'-P-C4' energy: -119.184 flat angles P-C4'-P energy: -65.625 tors. eta vs tors. theta energy: -4.131 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: 1 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2644.681762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.681762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.681762 (E_RNA) where: Base-Base interactions energy: -1821.006 where: short stacking energy: -773.989 Base-Backbone interact. energy: -2.870 local terms energy: -820.806096 where: bonds (distance) C4'-P energy: -149.873 bonds (distance) P-C4' energy: -146.354 flat angles C4'-P-C4' energy: -174.525 flat angles P-C4'-P energy: -125.376 tors. eta vs tors. theta energy: -224.678 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: 2, replica: 4 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2559.015171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.015171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.015171 (E_RNA) where: Base-Base interactions energy: -1786.650 where: short stacking energy: -767.948 Base-Backbone interact. energy: 0.961 local terms energy: -773.326171 where: bonds (distance) C4'-P energy: -127.531 bonds (distance) P-C4' energy: -157.886 flat angles C4'-P-C4' energy: -169.603 flat angles P-C4'-P energy: -102.701 tors. eta vs tors. theta energy: -215.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2448.359902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.359902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.359902 (E_RNA) where: Base-Base interactions energy: -1696.034 where: short stacking energy: -723.094 Base-Backbone interact. energy: 2.770 local terms energy: -755.096660 where: bonds (distance) C4'-P energy: -138.787 bonds (distance) P-C4' energy: -151.222 flat angles C4'-P-C4' energy: -166.686 flat angles P-C4'-P energy: -94.779 tors. eta vs tors. theta energy: -203.623 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: 3 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2283.769463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.769463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.769463 (E_RNA) where: Base-Base interactions energy: -1566.468 where: short stacking energy: -672.319 Base-Backbone interact. energy: -1.396 local terms energy: -715.905735 where: bonds (distance) C4'-P energy: -140.787 bonds (distance) P-C4' energy: -130.889 flat angles C4'-P-C4' energy: -158.579 flat angles P-C4'-P energy: -110.920 tors. eta vs tors. theta energy: -174.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2223.087472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.087472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.087472 (E_RNA) where: Base-Base interactions energy: -1547.949 where: short stacking energy: -657.395 Base-Backbone interact. energy: -1.958 local terms energy: -673.180351 where: bonds (distance) C4'-P energy: -122.048 bonds (distance) P-C4' energy: -132.826 flat angles C4'-P-C4' energy: -139.566 flat angles P-C4'-P energy: -98.097 tors. eta vs tors. theta energy: -180.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -2081.282855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.282855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.282855 (E_RNA) where: Base-Base interactions energy: -1427.245 where: short stacking energy: -629.288 Base-Backbone interact. energy: 2.628 local terms energy: -656.665906 where: bonds (distance) C4'-P energy: -121.557 bonds (distance) P-C4' energy: -126.387 flat angles C4'-P-C4' energy: -151.679 flat angles P-C4'-P energy: -85.810 tors. eta vs tors. theta energy: -171.234 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: 9 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1866.554971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.554971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.554971 (E_RNA) where: Base-Base interactions energy: -1228.507 where: short stacking energy: -535.088 Base-Backbone interact. energy: -0.184 local terms energy: -637.864025 where: bonds (distance) C4'-P energy: -133.024 bonds (distance) P-C4' energy: -136.893 flat angles C4'-P-C4' energy: -144.169 flat angles P-C4'-P energy: -86.702 tors. eta vs tors. theta energy: -137.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1196.220261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.220261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.220261 (E_RNA) where: Base-Base interactions energy: -698.593 where: short stacking energy: -346.874 Base-Backbone interact. energy: -1.627 local terms energy: -496.000980 where: bonds (distance) C4'-P energy: -107.696 bonds (distance) P-C4' energy: -132.220 flat angles C4'-P-C4' energy: -126.094 flat angles P-C4'-P energy: -84.623 tors. eta vs tors. theta energy: -45.369 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: 5 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1098.326100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.326100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.326100 (E_RNA) where: Base-Base interactions energy: -661.207 where: short stacking energy: -312.876 Base-Backbone interact. energy: 5.494 local terms energy: -442.613406 where: bonds (distance) C4'-P energy: -123.468 bonds (distance) P-C4' energy: -112.436 flat angles C4'-P-C4' energy: -127.611 flat angles P-C4'-P energy: -66.898 tors. eta vs tors. theta energy: -12.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -1073.090474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.090474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.090474 (E_RNA) where: Base-Base interactions energy: -638.917 where: short stacking energy: -292.549 Base-Backbone interact. energy: -1.538 local terms energy: -432.634953 where: bonds (distance) C4'-P energy: -96.028 bonds (distance) P-C4' energy: -122.937 flat angles C4'-P-C4' energy: -92.880 flat angles P-C4'-P energy: -77.322 tors. eta vs tors. theta energy: -43.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2641.956869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.956869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.956869 (E_RNA) where: Base-Base interactions energy: -1829.664 where: short stacking energy: -820.335 Base-Backbone interact. energy: -4.166 local terms energy: -808.126686 where: bonds (distance) C4'-P energy: -138.986 bonds (distance) P-C4' energy: -149.475 flat angles C4'-P-C4' energy: -171.136 flat angles P-C4'-P energy: -114.826 tors. eta vs tors. theta energy: -233.704 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: 2, replica: 4 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2581.012942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.012942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.012942 (E_RNA) where: Base-Base interactions energy: -1796.978 where: short stacking energy: -764.519 Base-Backbone interact. energy: -5.217 local terms energy: -778.818393 where: bonds (distance) C4'-P energy: -142.003 bonds (distance) P-C4' energy: -161.063 flat angles C4'-P-C4' energy: -158.947 flat angles P-C4'-P energy: -101.495 tors. eta vs tors. theta energy: -215.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2465.630761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.630761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.630761 (E_RNA) where: Base-Base interactions energy: -1716.152 where: short stacking energy: -715.748 Base-Backbone interact. energy: 3.573 local terms energy: -753.051544 where: bonds (distance) C4'-P energy: -141.191 bonds (distance) P-C4' energy: -146.860 flat angles C4'-P-C4' energy: -159.501 flat angles P-C4'-P energy: -92.527 tors. eta vs tors. theta energy: -212.972 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: 462 Temperature: 1.050000 Total energy: -2257.844323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.844323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.844323 (E_RNA) where: Base-Base interactions energy: -1545.842 where: short stacking energy: -644.923 Base-Backbone interact. energy: -3.277 local terms energy: -708.724995 where: bonds (distance) C4'-P energy: -127.062 bonds (distance) P-C4' energy: -128.226 flat angles C4'-P-C4' energy: -171.549 flat angles P-C4'-P energy: -107.213 tors. eta vs tors. theta energy: -174.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2168.328241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.328241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.328241 (E_RNA) where: Base-Base interactions energy: -1484.007 where: short stacking energy: -650.491 Base-Backbone interact. energy: -1.828 local terms energy: -682.492930 where: bonds (distance) C4'-P energy: -127.614 bonds (distance) P-C4' energy: -119.240 flat angles C4'-P-C4' energy: -152.268 flat angles P-C4'-P energy: -107.608 tors. eta vs tors. theta energy: -175.763 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: 7 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2088.008262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.008262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.008262 (E_RNA) where: Base-Base interactions energy: -1412.147 where: short stacking energy: -627.473 Base-Backbone interact. energy: -0.800 local terms energy: -675.061575 where: bonds (distance) C4'-P energy: -126.484 bonds (distance) P-C4' energy: -123.650 flat angles C4'-P-C4' energy: -147.947 flat angles P-C4'-P energy: -91.736 tors. eta vs tors. theta energy: -185.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1844.242267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.242267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.242267 (E_RNA) where: Base-Base interactions energy: -1258.336 where: short stacking energy: -549.191 Base-Backbone interact. energy: -1.800 local terms energy: -584.106047 where: bonds (distance) C4'-P energy: -97.757 bonds (distance) P-C4' energy: -128.856 flat angles C4'-P-C4' energy: -130.022 flat angles P-C4'-P energy: -91.386 tors. eta vs tors. theta energy: -136.084 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: 10 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1211.814578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.814578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.814578 (E_RNA) where: Base-Base interactions energy: -686.246 where: short stacking energy: -339.614 Base-Backbone interact. energy: 11.932 local terms energy: -537.500819 where: bonds (distance) C4'-P energy: -141.698 bonds (distance) P-C4' energy: -132.695 flat angles C4'-P-C4' energy: -136.651 flat angles P-C4'-P energy: -77.639 tors. eta vs tors. theta energy: -48.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1104.859982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.859982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.859982 (E_RNA) where: Base-Base interactions energy: -622.327 where: short stacking energy: -351.916 Base-Backbone interact. energy: -0.923 local terms energy: -481.610414 where: bonds (distance) C4'-P energy: -131.766 bonds (distance) P-C4' energy: -145.878 flat angles C4'-P-C4' energy: -120.254 flat angles P-C4'-P energy: -43.391 tors. eta vs tors. theta energy: -40.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -1033.401783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.401783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.401783 (E_RNA) where: Base-Base interactions energy: -578.271 where: short stacking energy: -298.796 Base-Backbone interact. energy: -1.410 local terms energy: -453.721169 where: bonds (distance) C4'-P energy: -107.942 bonds (distance) P-C4' energy: -128.309 flat angles C4'-P-C4' energy: -121.680 flat angles P-C4'-P energy: -63.508 tors. eta vs tors. theta energy: -32.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2654.803282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.803282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.803282 (E_RNA) where: Base-Base interactions energy: -1833.869 where: short stacking energy: -813.368 Base-Backbone interact. energy: -3.980 local terms energy: -816.954306 where: bonds (distance) C4'-P energy: -141.859 bonds (distance) P-C4' energy: -148.384 flat angles C4'-P-C4' energy: -176.175 flat angles P-C4'-P energy: -114.100 tors. eta vs tors. theta energy: -236.437 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: 8 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2510.423742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.423742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.423742 (E_RNA) where: Base-Base interactions energy: -1735.389 where: short stacking energy: -723.132 Base-Backbone interact. energy: -3.136 local terms energy: -771.898843 where: bonds (distance) C4'-P energy: -146.603 bonds (distance) P-C4' energy: -136.868 flat angles C4'-P-C4' energy: -164.897 flat angles P-C4'-P energy: -108.828 tors. eta vs tors. theta energy: -214.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2472.980418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.980418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.980418 (E_RNA) where: Base-Base interactions energy: -1732.787 where: short stacking energy: -732.128 Base-Backbone interact. energy: 1.527 local terms energy: -741.720041 where: bonds (distance) C4'-P energy: -132.647 bonds (distance) P-C4' energy: -133.753 flat angles C4'-P-C4' energy: -157.449 flat angles P-C4'-P energy: -110.824 tors. eta vs tors. theta energy: -207.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2237.895889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.895889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.895889 (E_RNA) where: Base-Base interactions energy: -1538.731 where: short stacking energy: -685.949 Base-Backbone interact. energy: -3.115 local terms energy: -696.050134 where: bonds (distance) C4'-P energy: -114.407 bonds (distance) P-C4' energy: -137.833 flat angles C4'-P-C4' energy: -159.445 flat angles P-C4'-P energy: -94.246 tors. eta vs tors. theta energy: -190.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2242.445263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.445263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.445263 (E_RNA) where: Base-Base interactions energy: -1539.176 where: short stacking energy: -662.189 Base-Backbone interact. energy: 1.877 local terms energy: -705.145684 where: bonds (distance) C4'-P energy: -144.255 bonds (distance) P-C4' energy: -131.199 flat angles C4'-P-C4' energy: -141.806 flat angles P-C4'-P energy: -101.166 tors. eta vs tors. theta energy: -186.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2098.035882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.035882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.035882 (E_RNA) where: Base-Base interactions energy: -1429.877 where: short stacking energy: -607.562 Base-Backbone interact. energy: -3.197 local terms energy: -664.961272 where: bonds (distance) C4'-P energy: -113.467 bonds (distance) P-C4' energy: -136.283 flat angles C4'-P-C4' energy: -151.572 flat angles P-C4'-P energy: -89.690 tors. eta vs tors. theta energy: -173.949 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: 463 Temperature: 1.200000 Total energy: -1861.239505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.239505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.239505 (E_RNA) where: Base-Base interactions energy: -1243.936 where: short stacking energy: -534.996 Base-Backbone interact. energy: 3.570 local terms energy: -620.874235 where: bonds (distance) C4'-P energy: -106.504 bonds (distance) P-C4' energy: -141.133 flat angles C4'-P-C4' energy: -136.680 flat angles P-C4'-P energy: -105.064 tors. eta vs tors. theta energy: -131.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1285.174500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.174500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.174500 (E_RNA) where: Base-Base interactions energy: -767.246 where: short stacking energy: -373.155 Base-Backbone interact. energy: 0.466 local terms energy: -518.394761 where: bonds (distance) C4'-P energy: -118.150 bonds (distance) P-C4' energy: -137.100 flat angles C4'-P-C4' energy: -124.938 flat angles P-C4'-P energy: -79.270 tors. eta vs tors. theta energy: -58.938 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: 5 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1126.880348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.880348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.880348 (E_RNA) where: Base-Base interactions energy: -630.497 where: short stacking energy: -320.927 Base-Backbone interact. energy: 0.499 local terms energy: -496.882851 where: bonds (distance) C4'-P energy: -127.600 bonds (distance) P-C4' energy: -130.122 flat angles C4'-P-C4' energy: -121.339 flat angles P-C4'-P energy: -86.925 tors. eta vs tors. theta energy: -30.897 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: 10, replica: 2 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -977.166791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.166791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.166791 (E_RNA) where: Base-Base interactions energy: -557.616 where: short stacking energy: -286.148 Base-Backbone interact. energy: -0.155 local terms energy: -419.395975 where: bonds (distance) C4'-P energy: -113.481 bonds (distance) P-C4' energy: -114.721 flat angles C4'-P-C4' energy: -88.436 flat angles P-C4'-P energy: -78.982 tors. eta vs tors. theta energy: -23.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2661.161988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.161988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.161988 (E_RNA) where: Base-Base interactions energy: -1817.143 where: short stacking energy: -796.857 Base-Backbone interact. energy: 0.345 local terms energy: -844.364165 where: bonds (distance) C4'-P energy: -147.438 bonds (distance) P-C4' energy: -153.282 flat angles C4'-P-C4' energy: -184.355 flat angles P-C4'-P energy: -118.755 tors. eta vs tors. theta energy: -240.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2517.748423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.748423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.748423 (E_RNA) where: Base-Base interactions energy: -1743.002 where: short stacking energy: -744.034 Base-Backbone interact. energy: -1.791 local terms energy: -772.955573 where: bonds (distance) C4'-P energy: -147.000 bonds (distance) P-C4' energy: -135.706 flat angles C4'-P-C4' energy: -166.589 flat angles P-C4'-P energy: -115.404 tors. eta vs tors. theta energy: -208.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2450.208786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.208786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.208786 (E_RNA) where: Base-Base interactions energy: -1687.353 where: short stacking energy: -704.583 Base-Backbone interact. energy: -6.935 local terms energy: -755.920773 where: bonds (distance) C4'-P energy: -142.594 bonds (distance) P-C4' energy: -140.949 flat angles C4'-P-C4' energy: -162.361 flat angles P-C4'-P energy: -115.779 tors. eta vs tors. theta energy: -194.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2228.466730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.466730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.466730 (E_RNA) where: Base-Base interactions energy: -1512.446 where: short stacking energy: -652.795 Base-Backbone interact. energy: -2.147 local terms energy: -713.874278 where: bonds (distance) C4'-P energy: -142.889 bonds (distance) P-C4' energy: -135.316 flat angles C4'-P-C4' energy: -150.077 flat angles P-C4'-P energy: -107.734 tors. eta vs tors. theta energy: -177.858 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: 464 Temperature: 1.100000 Total energy: -2265.996992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.996992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.996992 (E_RNA) where: Base-Base interactions energy: -1537.133 where: short stacking energy: -676.314 Base-Backbone interact. energy: -3.221 local terms energy: -725.642642 where: bonds (distance) C4'-P energy: -136.544 bonds (distance) P-C4' energy: -136.650 flat angles C4'-P-C4' energy: -153.049 flat angles P-C4'-P energy: -104.932 tors. eta vs tors. theta energy: -194.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2118.239021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.239021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.239021 (E_RNA) where: Base-Base interactions energy: -1455.247 where: short stacking energy: -599.352 Base-Backbone interact. energy: -2.731 local terms energy: -660.261343 where: bonds (distance) C4'-P energy: -133.506 bonds (distance) P-C4' energy: -117.877 flat angles C4'-P-C4' energy: -149.165 flat angles P-C4'-P energy: -102.368 tors. eta vs tors. theta energy: -157.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1876.763309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.763309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.763309 (E_RNA) where: Base-Base interactions energy: -1245.448 where: short stacking energy: -528.282 Base-Backbone interact. energy: -2.672 local terms energy: -628.642797 where: bonds (distance) C4'-P energy: -124.076 bonds (distance) P-C4' energy: -129.280 flat angles C4'-P-C4' energy: -133.797 flat angles P-C4'-P energy: -89.833 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: 8, replica: 10 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1234.878977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.878977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.878977 (E_RNA) where: Base-Base interactions energy: -754.730 where: short stacking energy: -386.885 Base-Backbone interact. energy: 1.270 local terms energy: -481.418283 where: bonds (distance) C4'-P energy: -129.515 bonds (distance) P-C4' energy: -129.632 flat angles C4'-P-C4' energy: -109.692 flat angles P-C4'-P energy: -58.466 tors. eta vs tors. theta energy: -54.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1108.110242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.110242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.110242 (E_RNA) where: Base-Base interactions energy: -649.043 where: short stacking energy: -328.174 Base-Backbone interact. energy: -1.818 local terms energy: -457.249795 where: bonds (distance) C4'-P energy: -122.495 bonds (distance) P-C4' energy: -122.581 flat angles C4'-P-C4' energy: -95.812 flat angles P-C4'-P energy: -68.656 tors. eta vs tors. theta energy: -47.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -1025.782857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.782857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.782857 (E_RNA) where: Base-Base interactions energy: -584.554 where: short stacking energy: -287.470 Base-Backbone interact. energy: 2.236 local terms energy: -443.464465 where: bonds (distance) C4'-P energy: -111.721 bonds (distance) P-C4' energy: -126.041 flat angles C4'-P-C4' energy: -110.130 flat angles P-C4'-P energy: -66.411 tors. eta vs tors. theta energy: -29.163 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: 1 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2658.046140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.046140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.046140 (E_RNA) where: Base-Base interactions energy: -1842.591 where: short stacking energy: -814.080 Base-Backbone interact. energy: -2.671 local terms energy: -812.783588 where: bonds (distance) C4'-P energy: -142.437 bonds (distance) P-C4' energy: -139.714 flat angles C4'-P-C4' energy: -174.230 flat angles P-C4'-P energy: -121.777 tors. eta vs tors. theta energy: -234.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2502.701457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.701457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.701457 (E_RNA) where: Base-Base interactions energy: -1729.566 where: short stacking energy: -750.428 Base-Backbone interact. energy: -1.693 local terms energy: -771.442401 where: bonds (distance) C4'-P energy: -141.447 bonds (distance) P-C4' energy: -148.764 flat angles C4'-P-C4' energy: -154.049 flat angles P-C4'-P energy: -107.462 tors. eta vs tors. theta energy: -219.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2435.478359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.478359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.478359 (E_RNA) where: Base-Base interactions energy: -1686.757 where: short stacking energy: -731.705 Base-Backbone interact. energy: 2.266 local terms energy: -750.987270 where: bonds (distance) C4'-P energy: -136.875 bonds (distance) P-C4' energy: -142.793 flat angles C4'-P-C4' energy: -163.830 flat angles P-C4'-P energy: -89.636 tors. eta vs tors. theta energy: -217.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2281.149231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.149231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.149231 (E_RNA) where: Base-Base interactions energy: -1548.390 where: short stacking energy: -687.470 Base-Backbone interact. energy: -1.920 local terms energy: -730.839756 where: bonds (distance) C4'-P energy: -134.551 bonds (distance) P-C4' energy: -142.355 flat angles C4'-P-C4' energy: -162.294 flat angles P-C4'-P energy: -95.569 tors. eta vs tors. theta energy: -196.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2211.016590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.016590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.016590 (E_RNA) where: Base-Base interactions energy: -1514.780 where: short stacking energy: -647.932 Base-Backbone interact. energy: -1.582 local terms energy: -694.654534 where: bonds (distance) C4'-P energy: -126.078 bonds (distance) P-C4' energy: -139.081 flat angles C4'-P-C4' energy: -162.037 flat angles P-C4'-P energy: -89.139 tors. eta vs tors. theta energy: -178.319 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: 3 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2109.990649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.990649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.990649 (E_RNA) where: Base-Base interactions energy: -1438.104 where: short stacking energy: -615.182 Base-Backbone interact. energy: -3.742 local terms energy: -668.145199 where: bonds (distance) C4'-P energy: -114.180 bonds (distance) P-C4' energy: -140.090 flat angles C4'-P-C4' energy: -144.278 flat angles P-C4'-P energy: -95.208 tors. eta vs tors. theta energy: -174.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1847.353502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.353502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.353502 (E_RNA) where: Base-Base interactions energy: -1277.047 where: short stacking energy: -535.363 Base-Backbone interact. energy: -0.730 local terms energy: -569.576479 where: bonds (distance) C4'-P energy: -129.580 bonds (distance) P-C4' energy: -90.134 flat angles C4'-P-C4' energy: -138.190 flat angles P-C4'-P energy: -79.216 tors. eta vs tors. theta energy: -132.457 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: 10 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1275.503781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.503781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.503781 (E_RNA) where: Base-Base interactions energy: -751.402 where: short stacking energy: -348.116 Base-Backbone interact. energy: -4.746 local terms energy: -519.355782 where: bonds (distance) C4'-P energy: -121.765 bonds (distance) P-C4' energy: -117.488 flat angles C4'-P-C4' energy: -144.842 flat angles P-C4'-P energy: -68.365 tors. eta vs tors. theta energy: -66.895 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: 5 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1106.269479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.269479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.269479 (E_RNA) where: Base-Base interactions energy: -669.999 where: short stacking energy: -303.986 Base-Backbone interact. energy: 5.298 local terms energy: -441.568019 where: bonds (distance) C4'-P energy: -104.265 bonds (distance) P-C4' energy: -135.356 flat angles C4'-P-C4' energy: -117.368 flat angles P-C4'-P energy: -64.078 tors. eta vs tors. theta energy: -20.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -1015.084451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.084451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.084451 (E_RNA) where: Base-Base interactions energy: -547.683 where: short stacking energy: -264.964 Base-Backbone interact. energy: -1.075 local terms energy: -466.325802 where: bonds (distance) C4'-P energy: -104.971 bonds (distance) P-C4' energy: -133.488 flat angles C4'-P-C4' energy: -119.258 flat angles P-C4'-P energy: -85.603 tors. eta vs tors. theta energy: -23.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2635.042967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.042967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.042967 (E_RNA) where: Base-Base interactions energy: -1826.361 where: short stacking energy: -809.573 Base-Backbone interact. energy: -3.049 local terms energy: -805.632770 where: bonds (distance) C4'-P energy: -128.737 bonds (distance) P-C4' energy: -147.581 flat angles C4'-P-C4' energy: -171.153 flat angles P-C4'-P energy: -119.948 tors. eta vs tors. theta energy: -238.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2526.538560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.538560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.538560 (E_RNA) where: Base-Base interactions energy: -1764.192 where: short stacking energy: -746.870 Base-Backbone interact. energy: -0.686 local terms energy: -761.660326 where: bonds (distance) C4'-P energy: -146.617 bonds (distance) P-C4' energy: -147.458 flat angles C4'-P-C4' energy: -149.457 flat angles P-C4'-P energy: -98.049 tors. eta vs tors. theta energy: -220.080 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: 4 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2452.868416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.868416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.868416 (E_RNA) where: Base-Base interactions energy: -1706.199 where: short stacking energy: -730.845 Base-Backbone interact. energy: 6.864 local terms energy: -753.533439 where: bonds (distance) C4'-P energy: -137.908 bonds (distance) P-C4' energy: -140.634 flat angles C4'-P-C4' energy: -166.173 flat angles P-C4'-P energy: -97.516 tors. eta vs tors. theta energy: -211.303 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: 7 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2225.009446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.009446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.009446 (E_RNA) where: Base-Base interactions energy: -1536.576 where: short stacking energy: -667.043 Base-Backbone interact. energy: -2.751 local terms energy: -685.682002 where: bonds (distance) C4'-P energy: -122.619 bonds (distance) P-C4' energy: -138.826 flat angles C4'-P-C4' energy: -141.098 flat angles P-C4'-P energy: -91.066 tors. eta vs tors. theta energy: -192.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2205.775505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.775505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.775505 (E_RNA) where: Base-Base interactions energy: -1489.505 where: short stacking energy: -649.600 Base-Backbone interact. energy: -1.845 local terms energy: -714.425044 where: bonds (distance) C4'-P energy: -126.895 bonds (distance) P-C4' energy: -142.823 flat angles C4'-P-C4' energy: -149.989 flat angles P-C4'-P energy: -113.052 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: 6, replica: 3 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2107.073808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.073808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.073808 (E_RNA) where: Base-Base interactions energy: -1471.016 where: short stacking energy: -586.850 Base-Backbone interact. energy: 1.154 local terms energy: -637.211033 where: bonds (distance) C4'-P energy: -115.654 bonds (distance) P-C4' energy: -137.784 flat angles C4'-P-C4' energy: -139.346 flat angles P-C4'-P energy: -84.739 tors. eta vs tors. theta energy: -159.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1874.154229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.154229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.154229 (E_RNA) where: Base-Base interactions energy: -1272.230 where: short stacking energy: -590.081 Base-Backbone interact. energy: -0.076 local terms energy: -601.848358 where: bonds (distance) C4'-P energy: -115.063 bonds (distance) P-C4' energy: -112.316 flat angles C4'-P-C4' energy: -154.353 flat angles P-C4'-P energy: -77.240 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: 8, replica: 10 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1273.012021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.012021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.012021 (E_RNA) where: Base-Base interactions energy: -779.838 where: short stacking energy: -382.593 Base-Backbone interact. energy: 0.779 local terms energy: -493.953398 where: bonds (distance) C4'-P energy: -118.273 bonds (distance) P-C4' energy: -121.170 flat angles C4'-P-C4' energy: -117.707 flat angles P-C4'-P energy: -82.933 tors. eta vs tors. theta energy: -53.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1115.004782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.004782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.004782 (E_RNA) where: Base-Base interactions energy: -641.173 where: short stacking energy: -319.401 Base-Backbone interact. energy: 0.951 local terms energy: -474.782560 where: bonds (distance) C4'-P energy: -124.524 bonds (distance) P-C4' energy: -128.002 flat angles C4'-P-C4' energy: -126.546 flat angles P-C4'-P energy: -65.166 tors. eta vs tors. theta energy: -30.543 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: 2 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -1022.965778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.965778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.965778 (E_RNA) where: Base-Base interactions energy: -604.053 where: short stacking energy: -303.458 Base-Backbone interact. energy: 2.569 local terms energy: -421.481771 where: bonds (distance) C4'-P energy: -104.851 bonds (distance) P-C4' energy: -130.065 flat angles C4'-P-C4' energy: -95.357 flat angles P-C4'-P energy: -67.011 tors. eta vs tors. theta energy: -24.196 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: 1 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2645.433781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.433781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.433781 (E_RNA) where: Base-Base interactions energy: -1802.751 where: short stacking energy: -791.332 Base-Backbone interact. energy: -4.101 local terms energy: -838.581939 where: bonds (distance) C4'-P energy: -149.619 bonds (distance) P-C4' energy: -149.436 flat angles C4'-P-C4' energy: -184.211 flat angles P-C4'-P energy: -123.035 tors. eta vs tors. theta energy: -232.281 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: 8 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2550.361656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.361656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.361656 (E_RNA) where: Base-Base interactions energy: -1802.652 where: short stacking energy: -754.620 Base-Backbone interact. energy: -0.192 local terms energy: -747.516832 where: bonds (distance) C4'-P energy: -132.120 bonds (distance) P-C4' energy: -125.426 flat angles C4'-P-C4' energy: -164.416 flat angles P-C4'-P energy: -105.477 tors. eta vs tors. theta energy: -220.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2431.022571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.022571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.022571 (E_RNA) where: Base-Base interactions energy: -1663.761 where: short stacking energy: -738.195 Base-Backbone interact. energy: 0.657 local terms energy: -767.919088 where: bonds (distance) C4'-P energy: -141.948 bonds (distance) P-C4' energy: -140.953 flat angles C4'-P-C4' energy: -172.560 flat angles P-C4'-P energy: -108.025 tors. eta vs tors. theta energy: -204.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2282.590578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.590578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.590578 (E_RNA) where: Base-Base interactions energy: -1545.117 where: short stacking energy: -670.776 Base-Backbone interact. energy: -1.892 local terms energy: -735.581607 where: bonds (distance) C4'-P energy: -130.740 bonds (distance) P-C4' energy: -135.088 flat angles C4'-P-C4' energy: -152.081 flat angles P-C4'-P energy: -110.418 tors. eta vs tors. theta energy: -207.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2191.163989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.163989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.163989 (E_RNA) where: Base-Base interactions energy: -1495.034 where: short stacking energy: -637.495 Base-Backbone interact. energy: -3.017 local terms energy: -693.113037 where: bonds (distance) C4'-P energy: -119.824 bonds (distance) P-C4' energy: -134.763 flat angles C4'-P-C4' energy: -160.451 flat angles P-C4'-P energy: -93.729 tors. eta vs tors. theta energy: -184.346 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: 3 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -2142.385817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.385817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.385817 (E_RNA) where: Base-Base interactions energy: -1477.145 where: short stacking energy: -617.123 Base-Backbone interact. energy: -1.976 local terms energy: -663.265169 where: bonds (distance) C4'-P energy: -128.864 bonds (distance) P-C4' energy: -139.552 flat angles C4'-P-C4' energy: -131.679 flat angles P-C4'-P energy: -90.068 tors. eta vs tors. theta energy: -173.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1811.073733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.073733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.073733 (E_RNA) where: Base-Base interactions energy: -1212.438 where: short stacking energy: -518.073 Base-Backbone interact. energy: -2.966 local terms energy: -595.670135 where: bonds (distance) C4'-P energy: -105.928 bonds (distance) P-C4' energy: -133.609 flat angles C4'-P-C4' energy: -140.959 flat angles P-C4'-P energy: -91.768 tors. eta vs tors. theta energy: -123.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1350.140102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.140102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.140102 (E_RNA) where: Base-Base interactions energy: -833.990 where: short stacking energy: -405.963 Base-Backbone interact. energy: -2.651 local terms energy: -513.499540 where: bonds (distance) C4'-P energy: -114.603 bonds (distance) P-C4' energy: -129.107 flat angles C4'-P-C4' energy: -111.438 flat angles P-C4'-P energy: -81.064 tors. eta vs tors. theta energy: -77.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1124.966655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.966655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.966655 (E_RNA) where: Base-Base interactions energy: -646.850 where: short stacking energy: -329.855 Base-Backbone interact. energy: 0.173 local terms energy: -478.288823 where: bonds (distance) C4'-P energy: -113.185 bonds (distance) P-C4' energy: -134.567 flat angles C4'-P-C4' energy: -98.553 flat angles P-C4'-P energy: -79.004 tors. eta vs tors. theta energy: -52.979 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: 10, replica: 2 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -1035.007094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.007094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.007094 (E_RNA) where: Base-Base interactions energy: -581.046 where: short stacking energy: -310.011 Base-Backbone interact. energy: 5.932 local terms energy: -459.892395 where: bonds (distance) C4'-P energy: -114.021 bonds (distance) P-C4' energy: -138.893 flat angles C4'-P-C4' energy: -107.909 flat angles P-C4'-P energy: -77.185 tors. eta vs tors. theta energy: -21.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2650.335717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.335717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.335717 (E_RNA) where: Base-Base interactions energy: -1835.648 where: short stacking energy: -791.139 Base-Backbone interact. energy: 0.438 local terms energy: -815.125761 where: bonds (distance) C4'-P energy: -148.838 bonds (distance) P-C4' energy: -148.916 flat angles C4'-P-C4' energy: -166.495 flat angles P-C4'-P energy: -117.214 tors. eta vs tors. theta energy: -233.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2542.904342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.904342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.904342 (E_RNA) where: Base-Base interactions energy: -1786.971 where: short stacking energy: -753.252 Base-Backbone interact. energy: -5.509 local terms energy: -750.425024 where: bonds (distance) C4'-P energy: -132.790 bonds (distance) P-C4' energy: -140.401 flat angles C4'-P-C4' energy: -169.438 flat angles P-C4'-P energy: -103.310 tors. eta vs tors. theta energy: -204.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2479.462246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.462246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.462246 (E_RNA) where: Base-Base interactions energy: -1727.789 where: short stacking energy: -739.821 Base-Backbone interact. energy: -4.654 local terms energy: -747.019598 where: bonds (distance) C4'-P energy: -133.997 bonds (distance) P-C4' energy: -138.728 flat angles C4'-P-C4' energy: -162.348 flat angles P-C4'-P energy: -104.425 tors. eta vs tors. theta energy: -207.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2258.466956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.466956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.466956 (E_RNA) where: Base-Base interactions energy: -1523.325 where: short stacking energy: -669.452 Base-Backbone interact. energy: -4.776 local terms energy: -730.366020 where: bonds (distance) C4'-P energy: -126.249 bonds (distance) P-C4' energy: -139.783 flat angles C4'-P-C4' energy: -169.806 flat angles P-C4'-P energy: -102.771 tors. eta vs tors. theta energy: -191.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2231.308614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.308614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.308614 (E_RNA) where: Base-Base interactions energy: -1542.882 where: short stacking energy: -655.696 Base-Backbone interact. energy: -2.824 local terms energy: -685.602494 where: bonds (distance) C4'-P energy: -115.995 bonds (distance) P-C4' energy: -147.494 flat angles C4'-P-C4' energy: -138.720 flat angles P-C4'-P energy: -98.236 tors. eta vs tors. theta energy: -185.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -2106.233641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.233641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.233641 (E_RNA) where: Base-Base interactions energy: -1443.840 where: short stacking energy: -612.444 Base-Backbone interact. energy: -2.968 local terms energy: -659.425246 where: bonds (distance) C4'-P energy: -113.010 bonds (distance) P-C4' energy: -145.906 flat angles C4'-P-C4' energy: -151.190 flat angles P-C4'-P energy: -79.520 tors. eta vs tors. theta energy: -169.800 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: 7, replica: 9 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1882.229277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.229277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.229277 (E_RNA) where: Base-Base interactions energy: -1253.691 where: short stacking energy: -531.487 Base-Backbone interact. energy: -1.281 local terms energy: -627.257035 where: bonds (distance) C4'-P energy: -120.667 bonds (distance) P-C4' energy: -108.670 flat angles C4'-P-C4' energy: -162.081 flat angles P-C4'-P energy: -87.210 tors. eta vs tors. theta energy: -148.630 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: 468 Temperature: 1.250000 Total energy: -1350.704886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.704886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.704886 (E_RNA) where: Base-Base interactions energy: -855.758 where: short stacking energy: -391.174 Base-Backbone interact. energy: -1.104 local terms energy: -493.842406 where: bonds (distance) C4'-P energy: -115.388 bonds (distance) P-C4' energy: -128.503 flat angles C4'-P-C4' energy: -113.638 flat angles P-C4'-P energy: -74.018 tors. eta vs tors. theta energy: -62.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1070.993388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.993388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.993388 (E_RNA) where: Base-Base interactions energy: -627.135 where: short stacking energy: -322.506 Base-Backbone interact. energy: -0.755 local terms energy: -443.103350 where: bonds (distance) C4'-P energy: -105.507 bonds (distance) P-C4' energy: -136.410 flat angles C4'-P-C4' energy: -100.452 flat angles P-C4'-P energy: -77.019 tors. eta vs tors. theta energy: -23.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -1017.594553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.594553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.594553 (E_RNA) where: Base-Base interactions energy: -587.501 where: short stacking energy: -296.713 Base-Backbone interact. energy: 1.389 local terms energy: -431.482174 where: bonds (distance) C4'-P energy: -92.061 bonds (distance) P-C4' energy: -138.308 flat angles C4'-P-C4' energy: -119.077 flat angles P-C4'-P energy: -57.258 tors. eta vs tors. theta energy: -24.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2646.788651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.788651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.788651 (E_RNA) where: Base-Base interactions energy: -1808.742 where: short stacking energy: -792.095 Base-Backbone interact. energy: -0.848 local terms energy: -837.198308 where: bonds (distance) C4'-P energy: -159.341 bonds (distance) P-C4' energy: -156.500 flat angles C4'-P-C4' energy: -165.798 flat angles P-C4'-P energy: -113.752 tors. eta vs tors. theta energy: -241.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2520.739070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.739070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.739070 (E_RNA) where: Base-Base interactions energy: -1756.329 where: short stacking energy: -756.612 Base-Backbone interact. energy: -2.141 local terms energy: -762.269096 where: bonds (distance) C4'-P energy: -142.886 bonds (distance) P-C4' energy: -156.779 flat angles C4'-P-C4' energy: -162.725 flat angles P-C4'-P energy: -94.767 tors. eta vs tors. theta energy: -205.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2468.613679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.613679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.613679 (E_RNA) where: Base-Base interactions energy: -1711.889 where: short stacking energy: -739.147 Base-Backbone interact. energy: 3.455 local terms energy: -760.180641 where: bonds (distance) C4'-P energy: -142.743 bonds (distance) P-C4' energy: -136.952 flat angles C4'-P-C4' energy: -168.266 flat angles P-C4'-P energy: -105.251 tors. eta vs tors. theta energy: -206.968 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: 6 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2319.910552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.910552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.910552 (E_RNA) where: Base-Base interactions energy: -1581.596 where: short stacking energy: -688.955 Base-Backbone interact. energy: -0.489 local terms energy: -737.825493 where: bonds (distance) C4'-P energy: -141.858 bonds (distance) P-C4' energy: -149.005 flat angles C4'-P-C4' energy: -148.472 flat angles P-C4'-P energy: -100.883 tors. eta vs tors. theta energy: -197.606 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: 469 Temperature: 1.100000 Total energy: -2234.987092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.987092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.987092 (E_RNA) where: Base-Base interactions energy: -1494.370 where: short stacking energy: -663.981 Base-Backbone interact. energy: -2.671 local terms energy: -737.946214 where: bonds (distance) C4'-P energy: -144.946 bonds (distance) P-C4' energy: -138.431 flat angles C4'-P-C4' energy: -162.182 flat angles P-C4'-P energy: -100.825 tors. eta vs tors. theta energy: -191.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2183.995504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.995504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.995504 (E_RNA) where: Base-Base interactions energy: -1494.215 where: short stacking energy: -659.668 Base-Backbone interact. energy: -2.731 local terms energy: -687.049447 where: bonds (distance) C4'-P energy: -115.759 bonds (distance) P-C4' energy: -114.825 flat angles C4'-P-C4' energy: -153.416 flat angles P-C4'-P energy: -102.171 tors. eta vs tors. theta energy: -200.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1882.404474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.404474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.404474 (E_RNA) where: Base-Base interactions energy: -1262.910 where: short stacking energy: -539.735 Base-Backbone interact. energy: 4.168 local terms energy: -623.662998 where: bonds (distance) C4'-P energy: -113.506 bonds (distance) P-C4' energy: -129.768 flat angles C4'-P-C4' energy: -148.273 flat angles P-C4'-P energy: -92.885 tors. eta vs tors. theta energy: -139.231 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: 10 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1340.140488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.140488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.140488 (E_RNA) where: Base-Base interactions energy: -801.443 where: short stacking energy: -353.616 Base-Backbone interact. energy: -3.759 local terms energy: -534.938534 where: bonds (distance) C4'-P energy: -129.846 bonds (distance) P-C4' energy: -136.683 flat angles C4'-P-C4' energy: -128.953 flat angles P-C4'-P energy: -75.037 tors. eta vs tors. theta energy: -64.420 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: 5 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1103.567255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.567255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.567255 (E_RNA) where: Base-Base interactions energy: -666.856 where: short stacking energy: -305.504 Base-Backbone interact. energy: 5.215 local terms energy: -441.926753 where: bonds (distance) C4'-P energy: -123.968 bonds (distance) P-C4' energy: -125.331 flat angles C4'-P-C4' energy: -86.803 flat angles P-C4'-P energy: -74.366 tors. eta vs tors. theta energy: -31.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -1061.527711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.527711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.527711 (E_RNA) where: Base-Base interactions energy: -631.510 where: short stacking energy: -334.223 Base-Backbone interact. energy: 4.514 local terms energy: -434.531168 where: bonds (distance) C4'-P energy: -109.635 bonds (distance) P-C4' energy: -118.451 flat angles C4'-P-C4' energy: -111.567 flat angles P-C4'-P energy: -58.276 tors. eta vs tors. theta energy: -36.603 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: 1 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -2646.497772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.497772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.497772 (E_RNA) where: Base-Base interactions energy: -1819.486 where: short stacking energy: -809.702 Base-Backbone interact. energy: -3.464 local terms energy: -823.547883 where: bonds (distance) C4'-P energy: -152.601 bonds (distance) P-C4' energy: -149.399 flat angles C4'-P-C4' energy: -167.299 flat angles P-C4'-P energy: -118.460 tors. eta vs tors. theta energy: -235.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2533.685766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.685766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.685766 (E_RNA) where: Base-Base interactions energy: -1794.097 where: short stacking energy: -732.264 Base-Backbone interact. energy: -2.482 local terms energy: -737.106974 where: bonds (distance) C4'-P energy: -134.364 bonds (distance) P-C4' energy: -146.469 flat angles C4'-P-C4' energy: -142.124 flat angles P-C4'-P energy: -119.556 tors. eta vs tors. theta energy: -194.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2475.016683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.016683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.016683 (E_RNA) where: Base-Base interactions energy: -1690.827 where: short stacking energy: -731.243 Base-Backbone interact. energy: -2.383 local terms energy: -781.806542 where: bonds (distance) C4'-P energy: -140.929 bonds (distance) P-C4' energy: -156.236 flat angles C4'-P-C4' energy: -165.276 flat angles P-C4'-P energy: -107.499 tors. eta vs tors. theta energy: -211.867 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: 4, replica: 6 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2286.041499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.041499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.041499 (E_RNA) where: Base-Base interactions energy: -1549.531 where: short stacking energy: -673.299 Base-Backbone interact. energy: -3.079 local terms energy: -733.432025 where: bonds (distance) C4'-P energy: -131.407 bonds (distance) P-C4' energy: -153.254 flat angles C4'-P-C4' energy: -156.881 flat angles P-C4'-P energy: -95.468 tors. eta vs tors. theta energy: -196.421 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: 7 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2185.449223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.449223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.449223 (E_RNA) where: Base-Base interactions energy: -1469.981 where: short stacking energy: -659.250 Base-Backbone interact. energy: -0.484 local terms energy: -714.984416 where: bonds (distance) C4'-P energy: -118.397 bonds (distance) P-C4' energy: -159.349 flat angles C4'-P-C4' energy: -161.104 flat angles P-C4'-P energy: -89.931 tors. eta vs tors. theta energy: -186.203 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: 3 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -2172.665342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.665342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.665342 (E_RNA) where: Base-Base interactions energy: -1514.475 where: short stacking energy: -627.928 Base-Backbone interact. energy: 0.986 local terms energy: -659.176088 where: bonds (distance) C4'-P energy: -118.244 bonds (distance) P-C4' energy: -124.672 flat angles C4'-P-C4' energy: -143.003 flat angles P-C4'-P energy: -95.015 tors. eta vs tors. theta energy: -178.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1875.549182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.549182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.549182 (E_RNA) where: Base-Base interactions energy: -1250.962 where: short stacking energy: -534.429 Base-Backbone interact. energy: -0.868 local terms energy: -623.719390 where: bonds (distance) C4'-P energy: -133.081 bonds (distance) P-C4' energy: -118.545 flat angles C4'-P-C4' energy: -146.166 flat angles P-C4'-P energy: -86.714 tors. eta vs tors. theta energy: -139.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1306.820547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.820547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.820547 (E_RNA) where: Base-Base interactions energy: -815.292 where: short stacking energy: -361.241 Base-Backbone interact. energy: -1.614 local terms energy: -489.913988 where: bonds (distance) C4'-P energy: -115.405 bonds (distance) P-C4' energy: -123.804 flat angles C4'-P-C4' energy: -106.285 flat angles P-C4'-P energy: -75.726 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: 2 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1099.634512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.634512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.634512 (E_RNA) where: Base-Base interactions energy: -607.590 where: short stacking energy: -321.230 Base-Backbone interact. energy: -4.256 local terms energy: -487.788095 where: bonds (distance) C4'-P energy: -122.600 bonds (distance) P-C4' energy: -130.460 flat angles C4'-P-C4' energy: -121.085 flat angles P-C4'-P energy: -53.941 tors. eta vs tors. theta energy: -59.702 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: 5 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -1014.163933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.163933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.163933 (E_RNA) where: Base-Base interactions energy: -566.307 where: short stacking energy: -290.809 Base-Backbone interact. energy: 1.873 local terms energy: -449.730090 where: bonds (distance) C4'-P energy: -111.189 bonds (distance) P-C4' energy: -135.572 flat angles C4'-P-C4' energy: -95.988 flat angles P-C4'-P energy: -73.343 tors. eta vs tors. theta energy: -33.638 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: 1 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -2668.732404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.732404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.732404 (E_RNA) where: Base-Base interactions energy: -1838.061 where: short stacking energy: -806.338 Base-Backbone interact. energy: -3.840 local terms energy: -826.831716 where: bonds (distance) C4'-P energy: -158.071 bonds (distance) P-C4' energy: -127.954 flat angles C4'-P-C4' energy: -173.555 flat angles P-C4'-P energy: -119.715 tors. eta vs tors. theta energy: -247.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2519.220360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.220360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.220360 (E_RNA) where: Base-Base interactions energy: -1732.238 where: short stacking energy: -711.068 Base-Backbone interact. energy: -5.858 local terms energy: -781.124500 where: bonds (distance) C4'-P energy: -140.445 bonds (distance) P-C4' energy: -145.899 flat angles C4'-P-C4' energy: -159.860 flat angles P-C4'-P energy: -121.776 tors. eta vs tors. theta energy: -213.144 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: 4 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2476.892405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.892405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.892405 (E_RNA) where: Base-Base interactions energy: -1690.875 where: short stacking energy: -739.041 Base-Backbone interact. energy: -4.733 local terms energy: -781.284873 where: bonds (distance) C4'-P energy: -144.084 bonds (distance) P-C4' energy: -155.210 flat angles C4'-P-C4' energy: -162.984 flat angles P-C4'-P energy: -103.607 tors. eta vs tors. theta energy: -215.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2258.437268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.437268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.437268 (E_RNA) where: Base-Base interactions energy: -1554.199 where: short stacking energy: -660.385 Base-Backbone interact. energy: -3.534 local terms energy: -700.704113 where: bonds (distance) C4'-P energy: -139.224 bonds (distance) P-C4' energy: -121.867 flat angles C4'-P-C4' energy: -160.584 flat angles P-C4'-P energy: -102.942 tors. eta vs tors. theta energy: -176.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2153.623566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.623566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.623566 (E_RNA) where: Base-Base interactions energy: -1475.585 where: short stacking energy: -608.605 Base-Backbone interact. energy: -3.261 local terms energy: -674.777946 where: bonds (distance) C4'-P energy: -118.488 bonds (distance) P-C4' energy: -121.554 flat angles C4'-P-C4' energy: -148.201 flat angles P-C4'-P energy: -97.935 tors. eta vs tors. theta energy: -188.599 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: 6, replica: 3 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -2134.572840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.572840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.572840 (E_RNA) where: Base-Base interactions energy: -1475.203 where: short stacking energy: -606.144 Base-Backbone interact. energy: -2.051 local terms energy: -657.319254 where: bonds (distance) C4'-P energy: -140.296 bonds (distance) P-C4' energy: -122.853 flat angles C4'-P-C4' energy: -142.638 flat angles P-C4'-P energy: -87.326 tors. eta vs tors. theta energy: -164.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1868.789768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.789768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.789768 (E_RNA) where: Base-Base interactions energy: -1225.980 where: short stacking energy: -513.512 Base-Backbone interact. energy: 1.306 local terms energy: -644.115632 where: bonds (distance) C4'-P energy: -135.420 bonds (distance) P-C4' energy: -132.899 flat angles C4'-P-C4' energy: -139.751 flat angles P-C4'-P energy: -102.057 tors. eta vs tors. theta energy: -133.988 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: 10 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1355.340220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.340220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.340220 (E_RNA) where: Base-Base interactions energy: -844.468 where: short stacking energy: -415.813 Base-Backbone interact. energy: -1.290 local terms energy: -509.582347 where: bonds (distance) C4'-P energy: -91.255 bonds (distance) P-C4' energy: -139.396 flat angles C4'-P-C4' energy: -129.546 flat angles P-C4'-P energy: -65.110 tors. eta vs tors. theta energy: -84.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1092.722019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.722019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.722019 (E_RNA) where: Base-Base interactions energy: -613.831 where: short stacking energy: -304.340 Base-Backbone interact. energy: 3.996 local terms energy: -482.886299 where: bonds (distance) C4'-P energy: -119.896 bonds (distance) P-C4' energy: -122.528 flat angles C4'-P-C4' energy: -119.344 flat angles P-C4'-P energy: -90.496 tors. eta vs tors. theta energy: -30.623 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: 5 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -1019.185281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.185281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.185281 (E_RNA) where: Base-Base interactions energy: -584.848 where: short stacking energy: -271.123 Base-Backbone interact. energy: 8.460 local terms energy: -442.797281 where: bonds (distance) C4'-P energy: -127.446 bonds (distance) P-C4' energy: -115.605 flat angles C4'-P-C4' energy: -115.061 flat angles P-C4'-P energy: -73.803 tors. eta vs tors. theta energy: -10.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -2655.993088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.993088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.993088 (E_RNA) where: Base-Base interactions energy: -1815.369 where: short stacking energy: -792.791 Base-Backbone interact. energy: 0.079 local terms energy: -840.702900 where: bonds (distance) C4'-P energy: -152.245 bonds (distance) P-C4' energy: -163.080 flat angles C4'-P-C4' energy: -175.151 flat angles P-C4'-P energy: -115.861 tors. eta vs tors. theta energy: -234.366 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: 8 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2530.642532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.642532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.642532 (E_RNA) where: Base-Base interactions energy: -1759.952 where: short stacking energy: -714.800 Base-Backbone interact. energy: -2.093 local terms energy: -768.597875 where: bonds (distance) C4'-P energy: -138.731 bonds (distance) P-C4' energy: -158.677 flat angles C4'-P-C4' energy: -157.424 flat angles P-C4'-P energy: -106.286 tors. eta vs tors. theta energy: -207.480 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: 4 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2463.585241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.585241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.585241 (E_RNA) where: Base-Base interactions energy: -1704.466 where: short stacking energy: -712.191 Base-Backbone interact. energy: -3.306 local terms energy: -755.813080 where: bonds (distance) C4'-P energy: -136.206 bonds (distance) P-C4' energy: -138.551 flat angles C4'-P-C4' energy: -157.495 flat angles P-C4'-P energy: -116.874 tors. eta vs tors. theta energy: -206.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2287.928390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.928390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.928390 (E_RNA) where: Base-Base interactions energy: -1556.070 where: short stacking energy: -659.415 Base-Backbone interact. energy: -2.412 local terms energy: -729.446528 where: bonds (distance) C4'-P energy: -130.783 bonds (distance) P-C4' energy: -152.289 flat angles C4'-P-C4' energy: -180.417 flat angles P-C4'-P energy: -92.296 tors. eta vs tors. theta energy: -173.661 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: 472 Temperature: 1.100000 Total energy: -2138.459635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.459635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.459635 (E_RNA) where: Base-Base interactions energy: -1434.430 where: short stacking energy: -638.612 Base-Backbone interact. energy: -3.014 local terms energy: -701.014827 where: bonds (distance) C4'-P energy: -127.240 bonds (distance) P-C4' energy: -144.363 flat angles C4'-P-C4' energy: -149.973 flat angles P-C4'-P energy: -100.472 tors. eta vs tors. theta energy: -178.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -2096.163192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.163192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.163192 (E_RNA) where: Base-Base interactions energy: -1438.595 where: short stacking energy: -603.516 Base-Backbone interact. energy: -3.214 local terms energy: -654.354022 where: bonds (distance) C4'-P energy: -121.528 bonds (distance) P-C4' energy: -139.947 flat angles C4'-P-C4' energy: -149.241 flat angles P-C4'-P energy: -85.590 tors. eta vs tors. theta energy: -158.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1857.114081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.114081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.114081 (E_RNA) where: Base-Base interactions energy: -1244.452 where: short stacking energy: -518.478 Base-Backbone interact. energy: -1.729 local terms energy: -610.932981 where: bonds (distance) C4'-P energy: -118.243 bonds (distance) P-C4' energy: -140.836 flat angles C4'-P-C4' energy: -136.678 flat angles P-C4'-P energy: -81.163 tors. eta vs tors. theta energy: -134.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1352.411924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.411924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.411924 (E_RNA) where: Base-Base interactions energy: -827.654 where: short stacking energy: -391.451 Base-Backbone interact. energy: -2.469 local terms energy: -522.289017 where: bonds (distance) C4'-P energy: -118.925 bonds (distance) P-C4' energy: -122.715 flat angles C4'-P-C4' energy: -121.694 flat angles P-C4'-P energy: -86.300 tors. eta vs tors. theta energy: -72.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1077.459356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.459356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.459356 (E_RNA) where: Base-Base interactions energy: -643.703 where: short stacking energy: -301.029 Base-Backbone interact. energy: -1.824 local terms energy: -431.932124 where: bonds (distance) C4'-P energy: -110.275 bonds (distance) P-C4' energy: -135.423 flat angles C4'-P-C4' energy: -106.786 flat angles P-C4'-P energy: -53.539 tors. eta vs tors. theta energy: -25.909 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: 10, replica: 2 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -954.592920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.592920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.592920 (E_RNA) where: Base-Base interactions energy: -555.047 where: short stacking energy: -268.677 Base-Backbone interact. energy: 5.154 local terms energy: -404.700292 where: bonds (distance) C4'-P energy: -108.992 bonds (distance) P-C4' energy: -119.874 flat angles C4'-P-C4' energy: -98.435 flat angles P-C4'-P energy: -68.210 tors. eta vs tors. theta energy: -9.189 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: 1 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2697.741442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.741442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.741442 (E_RNA) where: Base-Base interactions energy: -1861.172 where: short stacking energy: -816.029 Base-Backbone interact. energy: -4.890 local terms energy: -831.680216 where: bonds (distance) C4'-P energy: -148.216 bonds (distance) P-C4' energy: -150.474 flat angles C4'-P-C4' energy: -173.316 flat angles P-C4'-P energy: -114.292 tors. eta vs tors. theta energy: -245.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2511.406144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.406144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.406144 (E_RNA) where: Base-Base interactions energy: -1727.310 where: short stacking energy: -733.385 Base-Backbone interact. energy: -3.228 local terms energy: -780.868149 where: bonds (distance) C4'-P energy: -142.133 bonds (distance) P-C4' energy: -150.469 flat angles C4'-P-C4' energy: -159.912 flat angles P-C4'-P energy: -113.470 tors. eta vs tors. theta energy: -214.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2479.250661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.250661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.250661 (E_RNA) where: Base-Base interactions energy: -1707.761 where: short stacking energy: -745.619 Base-Backbone interact. energy: -0.339 local terms energy: -771.150499 where: bonds (distance) C4'-P energy: -131.746 bonds (distance) P-C4' energy: -142.244 flat angles C4'-P-C4' energy: -167.937 flat angles P-C4'-P energy: -114.206 tors. eta vs tors. theta energy: -215.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2290.080454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.080454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.080454 (E_RNA) where: Base-Base interactions energy: -1557.813 where: short stacking energy: -667.485 Base-Backbone interact. energy: -4.732 local terms energy: -727.536065 where: bonds (distance) C4'-P energy: -123.049 bonds (distance) P-C4' energy: -150.835 flat angles C4'-P-C4' energy: -157.504 flat angles P-C4'-P energy: -100.489 tors. eta vs tors. theta energy: -195.658 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: 7 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2151.781205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.781205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.781205 (E_RNA) where: Base-Base interactions energy: -1476.312 where: short stacking energy: -655.868 Base-Backbone interact. energy: -0.541 local terms energy: -674.927746 where: bonds (distance) C4'-P energy: -119.679 bonds (distance) P-C4' energy: -125.652 flat angles C4'-P-C4' energy: -153.346 flat angles P-C4'-P energy: -86.707 tors. eta vs tors. theta energy: -189.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -2026.473788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.473788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.473788 (E_RNA) where: Base-Base interactions energy: -1389.632 where: short stacking energy: -566.524 Base-Backbone interact. energy: 1.485 local terms energy: -638.326433 where: bonds (distance) C4'-P energy: -114.656 bonds (distance) P-C4' energy: -127.630 flat angles C4'-P-C4' energy: -139.341 flat angles P-C4'-P energy: -107.347 tors. eta vs tors. theta energy: -149.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1818.615578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.615578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.615578 (E_RNA) where: Base-Base interactions energy: -1253.719 where: short stacking energy: -564.916 Base-Backbone interact. energy: 4.360 local terms energy: -569.256341 where: bonds (distance) C4'-P energy: -115.643 bonds (distance) P-C4' energy: -125.069 flat angles C4'-P-C4' energy: -124.273 flat angles P-C4'-P energy: -80.837 tors. eta vs tors. theta energy: -123.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1336.527868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.527868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.527868 (E_RNA) where: Base-Base interactions energy: -815.244 where: short stacking energy: -390.242 Base-Backbone interact. energy: 0.730 local terms energy: -522.014446 where: bonds (distance) C4'-P energy: -135.010 bonds (distance) P-C4' energy: -134.080 flat angles C4'-P-C4' energy: -108.410 flat angles P-C4'-P energy: -70.306 tors. eta vs tors. theta energy: -74.208 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: 5 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1095.545947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.545947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.545947 (E_RNA) where: Base-Base interactions energy: -635.770 where: short stacking energy: -319.875 Base-Backbone interact. energy: 4.672 local terms energy: -464.447993 where: bonds (distance) C4'-P energy: -112.235 bonds (distance) P-C4' energy: -116.490 flat angles C4'-P-C4' energy: -111.154 flat angles P-C4'-P energy: -88.426 tors. eta vs tors. theta energy: -36.143 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: 2 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -1057.123515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.123515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.123515 (E_RNA) where: Base-Base interactions energy: -616.012 where: short stacking energy: -303.336 Base-Backbone interact. energy: 2.556 local terms energy: -443.667083 where: bonds (distance) C4'-P energy: -115.105 bonds (distance) P-C4' energy: -140.770 flat angles C4'-P-C4' energy: -117.497 flat angles P-C4'-P energy: -59.621 tors. eta vs tors. theta energy: -10.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2697.434813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.434813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.434813 (E_RNA) where: Base-Base interactions energy: -1867.537 where: short stacking energy: -796.246 Base-Backbone interact. energy: -5.669 local terms energy: -824.228601 where: bonds (distance) C4'-P energy: -146.089 bonds (distance) P-C4' energy: -140.638 flat angles C4'-P-C4' energy: -192.147 flat angles P-C4'-P energy: -115.135 tors. eta vs tors. theta energy: -230.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2566.281607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.281607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.281607 (E_RNA) where: Base-Base interactions energy: -1753.828 where: short stacking energy: -770.910 Base-Backbone interact. energy: -4.795 local terms energy: -807.658145 where: bonds (distance) C4'-P energy: -154.227 bonds (distance) P-C4' energy: -153.850 flat angles C4'-P-C4' energy: -168.995 flat angles P-C4'-P energy: -96.632 tors. eta vs tors. theta energy: -233.955 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: 4 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2455.813762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.813762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.813762 (E_RNA) where: Base-Base interactions energy: -1699.945 where: short stacking energy: -743.017 Base-Backbone interact. energy: -1.042 local terms energy: -754.827046 where: bonds (distance) C4'-P energy: -139.256 bonds (distance) P-C4' energy: -130.413 flat angles C4'-P-C4' energy: -163.709 flat angles P-C4'-P energy: -109.917 tors. eta vs tors. theta energy: -211.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2294.055568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.055568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.055568 (E_RNA) where: Base-Base interactions energy: -1549.185 where: short stacking energy: -680.829 Base-Backbone interact. energy: -6.113 local terms energy: -738.757392 where: bonds (distance) C4'-P energy: -136.314 bonds (distance) P-C4' energy: -141.741 flat angles C4'-P-C4' energy: -149.350 flat angles P-C4'-P energy: -117.602 tors. eta vs tors. theta energy: -193.751 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: 5, replica: 7 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2192.416776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.416776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.416776 (E_RNA) where: Base-Base interactions energy: -1489.728 where: short stacking energy: -655.937 Base-Backbone interact. energy: 1.312 local terms energy: -704.000568 where: bonds (distance) C4'-P energy: -124.728 bonds (distance) P-C4' energy: -138.164 flat angles C4'-P-C4' energy: -145.393 flat angles P-C4'-P energy: -99.414 tors. eta vs tors. theta energy: -196.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -2026.539143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.539143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.539143 (E_RNA) where: Base-Base interactions energy: -1391.428 where: short stacking energy: -595.404 Base-Backbone interact. energy: -1.908 local terms energy: -633.203180 where: bonds (distance) C4'-P energy: -119.619 bonds (distance) P-C4' energy: -123.806 flat angles C4'-P-C4' energy: -146.160 flat angles P-C4'-P energy: -85.310 tors. eta vs tors. theta energy: -158.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1846.397904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.397904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.397904 (E_RNA) where: Base-Base interactions energy: -1276.055 where: short stacking energy: -532.181 Base-Backbone interact. energy: -2.714 local terms energy: -567.628719 where: bonds (distance) C4'-P energy: -105.413 bonds (distance) P-C4' energy: -124.215 flat angles C4'-P-C4' energy: -131.989 flat angles P-C4'-P energy: -76.979 tors. eta vs tors. theta energy: -129.034 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: 10 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1421.925813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.925813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.925813 (E_RNA) where: Base-Base interactions energy: -881.692 where: short stacking energy: -411.111 Base-Backbone interact. energy: 1.552 local terms energy: -541.785483 where: bonds (distance) C4'-P energy: -123.891 bonds (distance) P-C4' energy: -125.154 flat angles C4'-P-C4' energy: -122.490 flat angles P-C4'-P energy: -71.472 tors. eta vs tors. theta energy: -98.779 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: 5 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1117.440140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.440140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.440140 (E_RNA) where: Base-Base interactions energy: -671.351 where: short stacking energy: -349.573 Base-Backbone interact. energy: -1.588 local terms energy: -444.500709 where: bonds (distance) C4'-P energy: -125.407 bonds (distance) P-C4' energy: -120.451 flat angles C4'-P-C4' energy: -101.040 flat angles P-C4'-P energy: -49.692 tors. eta vs tors. theta energy: -47.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -1006.121809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.121809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.121809 (E_RNA) where: Base-Base interactions energy: -590.041 where: short stacking energy: -292.130 Base-Backbone interact. energy: -1.875 local terms energy: -414.206185 where: bonds (distance) C4'-P energy: -121.087 bonds (distance) P-C4' energy: -111.041 flat angles C4'-P-C4' energy: -112.868 flat angles P-C4'-P energy: -54.772 tors. eta vs tors. theta energy: -14.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -2666.207199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.207199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.207199 (E_RNA) where: Base-Base interactions energy: -1861.126 where: short stacking energy: -804.137 Base-Backbone interact. energy: -1.129 local terms energy: -803.952760 where: bonds (distance) C4'-P energy: -144.852 bonds (distance) P-C4' energy: -150.537 flat angles C4'-P-C4' energy: -170.009 flat angles P-C4'-P energy: -105.132 tors. eta vs tors. theta energy: -233.423 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: 4 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2517.728486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.728486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.728486 (E_RNA) where: Base-Base interactions energy: -1741.406 where: short stacking energy: -738.214 Base-Backbone interact. energy: -3.272 local terms energy: -773.050700 where: bonds (distance) C4'-P energy: -152.228 bonds (distance) P-C4' energy: -136.855 flat angles C4'-P-C4' energy: -177.329 flat angles P-C4'-P energy: -94.337 tors. eta vs tors. theta energy: -212.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2476.084648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.084648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.084648 (E_RNA) where: Base-Base interactions energy: -1722.868 where: short stacking energy: -716.284 Base-Backbone interact. energy: -3.015 local terms energy: -750.201757 where: bonds (distance) C4'-P energy: -144.384 bonds (distance) P-C4' energy: -139.279 flat angles C4'-P-C4' energy: -154.244 flat angles P-C4'-P energy: -103.974 tors. eta vs tors. theta energy: -208.321 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: 6 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2290.568936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.568936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.568936 (E_RNA) where: Base-Base interactions energy: -1563.131 where: short stacking energy: -687.525 Base-Backbone interact. energy: -3.386 local terms energy: -724.052063 where: bonds (distance) C4'-P energy: -115.970 bonds (distance) P-C4' energy: -144.993 flat angles C4'-P-C4' energy: -159.023 flat angles P-C4'-P energy: -105.463 tors. eta vs tors. theta energy: -198.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2176.812675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.812675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.812675 (E_RNA) where: Base-Base interactions energy: -1472.458 where: short stacking energy: -631.154 Base-Backbone interact. energy: -2.219 local terms energy: -702.135798 where: bonds (distance) C4'-P energy: -116.645 bonds (distance) P-C4' energy: -145.296 flat angles C4'-P-C4' energy: -158.445 flat angles P-C4'-P energy: -97.399 tors. eta vs tors. theta energy: -184.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -2043.499327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.499327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.499327 (E_RNA) where: Base-Base interactions energy: -1408.548 where: short stacking energy: -562.142 Base-Backbone interact. energy: -0.459 local terms energy: -634.491755 where: bonds (distance) C4'-P energy: -110.528 bonds (distance) P-C4' energy: -121.469 flat angles C4'-P-C4' energy: -151.452 flat angles P-C4'-P energy: -90.728 tors. eta vs tors. theta energy: -160.314 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: 9 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1847.223204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.223204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.223204 (E_RNA) where: Base-Base interactions energy: -1238.493 where: short stacking energy: -547.338 Base-Backbone interact. energy: 3.107 local terms energy: -611.836677 where: bonds (distance) C4'-P energy: -111.922 bonds (distance) P-C4' energy: -131.952 flat angles C4'-P-C4' energy: -142.987 flat angles P-C4'-P energy: -85.453 tors. eta vs tors. theta energy: -139.523 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: 10 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1392.242961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.242961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.242961 (E_RNA) where: Base-Base interactions energy: -870.440 where: short stacking energy: -424.789 Base-Backbone interact. energy: 3.235 local terms energy: -525.038038 where: bonds (distance) C4'-P energy: -117.422 bonds (distance) P-C4' energy: -122.621 flat angles C4'-P-C4' energy: -141.796 flat angles P-C4'-P energy: -70.884 tors. eta vs tors. theta energy: -72.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1110.840699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.840699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.840699 (E_RNA) where: Base-Base interactions energy: -627.554 where: short stacking energy: -325.688 Base-Backbone interact. energy: 0.373 local terms energy: -483.660050 where: bonds (distance) C4'-P energy: -129.584 bonds (distance) P-C4' energy: -125.152 flat angles C4'-P-C4' energy: -118.428 flat angles P-C4'-P energy: -63.948 tors. eta vs tors. theta energy: -46.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -985.424650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.424650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.424650 (E_RNA) where: Base-Base interactions energy: -527.958 where: short stacking energy: -252.971 Base-Backbone interact. energy: 4.777 local terms energy: -462.244384 where: bonds (distance) C4'-P energy: -122.231 bonds (distance) P-C4' energy: -136.542 flat angles C4'-P-C4' energy: -116.511 flat angles P-C4'-P energy: -65.308 tors. eta vs tors. theta energy: -21.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -2642.858582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.858582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.858582 (E_RNA) where: Base-Base interactions energy: -1831.290 where: short stacking energy: -793.811 Base-Backbone interact. energy: -1.438 local terms energy: -810.130552 where: bonds (distance) C4'-P energy: -140.331 bonds (distance) P-C4' energy: -156.247 flat angles C4'-P-C4' energy: -172.176 flat angles P-C4'-P energy: -108.594 tors. eta vs tors. theta energy: -232.783 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: 2, replica: 4 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2498.976604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.976604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.976604 (E_RNA) where: Base-Base interactions energy: -1733.454 where: short stacking energy: -736.375 Base-Backbone interact. energy: -3.733 local terms energy: -761.790067 where: bonds (distance) C4'-P energy: -131.004 bonds (distance) P-C4' energy: -156.234 flat angles C4'-P-C4' energy: -165.244 flat angles P-C4'-P energy: -102.362 tors. eta vs tors. theta energy: -206.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2497.919724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.919724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.919724 (E_RNA) where: Base-Base interactions energy: -1720.562 where: short stacking energy: -738.029 Base-Backbone interact. energy: -5.702 local terms energy: -771.656319 where: bonds (distance) C4'-P energy: -145.262 bonds (distance) P-C4' energy: -143.496 flat angles C4'-P-C4' energy: -167.026 flat angles P-C4'-P energy: -97.033 tors. eta vs tors. theta energy: -218.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2291.045174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.045174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.045174 (E_RNA) where: Base-Base interactions energy: -1597.720 where: short stacking energy: -684.988 Base-Backbone interact. energy: -1.524 local terms energy: -691.801007 where: bonds (distance) C4'-P energy: -124.636 bonds (distance) P-C4' energy: -136.475 flat angles C4'-P-C4' energy: -161.156 flat angles P-C4'-P energy: -95.295 tors. eta vs tors. theta energy: -174.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2157.919558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.919558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.919558 (E_RNA) where: Base-Base interactions energy: -1487.057 where: short stacking energy: -655.829 Base-Backbone interact. energy: -2.129 local terms energy: -668.733766 where: bonds (distance) C4'-P energy: -116.743 bonds (distance) P-C4' energy: -140.800 flat angles C4'-P-C4' energy: -152.203 flat angles P-C4'-P energy: -81.640 tors. eta vs tors. theta energy: -177.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -2012.297405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.297405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.297405 (E_RNA) where: Base-Base interactions energy: -1355.270 where: short stacking energy: -586.515 Base-Backbone interact. energy: -2.493 local terms energy: -654.534639 where: bonds (distance) C4'-P energy: -126.788 bonds (distance) P-C4' energy: -124.003 flat angles C4'-P-C4' energy: -153.091 flat angles P-C4'-P energy: -91.050 tors. eta vs tors. theta energy: -159.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1826.013095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.013095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.013095 (E_RNA) where: Base-Base interactions energy: -1234.737 where: short stacking energy: -550.302 Base-Backbone interact. energy: 1.307 local terms energy: -592.583852 where: bonds (distance) C4'-P energy: -123.067 bonds (distance) P-C4' energy: -140.683 flat angles C4'-P-C4' energy: -124.572 flat angles P-C4'-P energy: -77.737 tors. eta vs tors. theta energy: -126.525 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: 10 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1430.768399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.768399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.768399 (E_RNA) where: Base-Base interactions energy: -895.772 where: short stacking energy: -396.963 Base-Backbone interact. energy: 5.519 local terms energy: -540.515398 where: bonds (distance) C4'-P energy: -121.555 bonds (distance) P-C4' energy: -134.500 flat angles C4'-P-C4' energy: -143.259 flat angles P-C4'-P energy: -72.795 tors. eta vs tors. theta energy: -68.406 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: 5 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1092.842682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.842682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.842682 (E_RNA) where: Base-Base interactions energy: -630.427 where: short stacking energy: -323.687 Base-Backbone interact. energy: -0.646 local terms energy: -461.769233 where: bonds (distance) C4'-P energy: -134.658 bonds (distance) P-C4' energy: -127.384 flat angles C4'-P-C4' energy: -110.475 flat angles P-C4'-P energy: -60.581 tors. eta vs tors. theta energy: -28.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -931.560996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.560996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.560996 (E_RNA) where: Base-Base interactions energy: -484.368 where: short stacking energy: -260.496 Base-Backbone interact. energy: 1.647 local terms energy: -448.840780 where: bonds (distance) C4'-P energy: -129.831 bonds (distance) P-C4' energy: -125.752 flat angles C4'-P-C4' energy: -111.058 flat angles P-C4'-P energy: -52.644 tors. eta vs tors. theta energy: -29.555 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: 1 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -2665.808539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.808539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.808539 (E_RNA) where: Base-Base interactions energy: -1835.211 where: short stacking energy: -808.133 Base-Backbone interact. energy: -3.350 local terms energy: -827.246862 where: bonds (distance) C4'-P energy: -160.261 bonds (distance) P-C4' energy: -139.344 flat angles C4'-P-C4' energy: -171.306 flat angles P-C4'-P energy: -111.529 tors. eta vs tors. theta energy: -244.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2514.196585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.196585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.196585 (E_RNA) where: Base-Base interactions energy: -1744.099 where: short stacking energy: -772.352 Base-Backbone interact. energy: 1.418 local terms energy: -771.515653 where: bonds (distance) C4'-P energy: -135.309 bonds (distance) P-C4' energy: -150.085 flat angles C4'-P-C4' energy: -165.107 flat angles P-C4'-P energy: -101.710 tors. eta vs tors. theta energy: -219.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2446.933043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.933043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.933043 (E_RNA) where: Base-Base interactions energy: -1692.590 where: short stacking energy: -688.000 Base-Backbone interact. energy: -0.562 local terms energy: -753.780796 where: bonds (distance) C4'-P energy: -146.591 bonds (distance) P-C4' energy: -142.752 flat angles C4'-P-C4' energy: -151.466 flat angles P-C4'-P energy: -110.846 tors. eta vs tors. theta energy: -202.126 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: 6 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2278.098323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.098323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.098323 (E_RNA) where: Base-Base interactions energy: -1564.549 where: short stacking energy: -675.670 Base-Backbone interact. energy: 1.158 local terms energy: -714.707123 where: bonds (distance) C4'-P energy: -134.443 bonds (distance) P-C4' energy: -148.828 flat angles C4'-P-C4' energy: -154.183 flat angles P-C4'-P energy: -101.321 tors. eta vs tors. theta energy: -175.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2140.623461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.623461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.623461 (E_RNA) where: Base-Base interactions energy: -1449.010 where: short stacking energy: -638.397 Base-Backbone interact. energy: -2.254 local terms energy: -689.359318 where: bonds (distance) C4'-P energy: -139.990 bonds (distance) P-C4' energy: -133.167 flat angles C4'-P-C4' energy: -138.366 flat angles P-C4'-P energy: -93.068 tors. eta vs tors. theta energy: -184.768 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: 3 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -2029.448971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.448971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.448971 (E_RNA) where: Base-Base interactions energy: -1388.360 where: short stacking energy: -600.551 Base-Backbone interact. energy: -6.241 local terms energy: -634.847997 where: bonds (distance) C4'-P energy: -122.521 bonds (distance) P-C4' energy: -124.922 flat angles C4'-P-C4' energy: -135.398 flat angles P-C4'-P energy: -86.190 tors. eta vs tors. theta energy: -165.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1926.752165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.752165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.752165 (E_RNA) where: Base-Base interactions energy: -1298.431 where: short stacking energy: -549.250 Base-Backbone interact. energy: 0.161 local terms energy: -628.482360 where: bonds (distance) C4'-P energy: -130.629 bonds (distance) P-C4' energy: -124.471 flat angles C4'-P-C4' energy: -147.938 flat angles P-C4'-P energy: -80.399 tors. eta vs tors. theta energy: -145.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1466.751008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.751008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.751008 (E_RNA) where: Base-Base interactions energy: -917.088 where: short stacking energy: -425.985 Base-Backbone interact. energy: 0.031 local terms energy: -549.694721 where: bonds (distance) C4'-P energy: -114.575 bonds (distance) P-C4' energy: -121.749 flat angles C4'-P-C4' energy: -143.385 flat angles P-C4'-P energy: -73.516 tors. eta vs tors. theta energy: -96.470 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: 5 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1092.553270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.553270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.553270 (E_RNA) where: Base-Base interactions energy: -647.143 where: short stacking energy: -338.209 Base-Backbone interact. energy: 5.731 local terms energy: -451.141409 where: bonds (distance) C4'-P energy: -116.795 bonds (distance) P-C4' energy: -102.651 flat angles C4'-P-C4' energy: -110.581 flat angles P-C4'-P energy: -84.379 tors. eta vs tors. theta energy: -36.736 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: 2 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -960.954387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.954387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.954387 (E_RNA) where: Base-Base interactions energy: -540.617 where: short stacking energy: -286.481 Base-Backbone interact. energy: -4.364 local terms energy: -415.973812 where: bonds (distance) C4'-P energy: -105.964 bonds (distance) P-C4' energy: -99.857 flat angles C4'-P-C4' energy: -119.365 flat angles P-C4'-P energy: -59.766 tors. eta vs tors. theta energy: -31.021 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: 1 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -2671.856956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.856956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.856956 (E_RNA) where: Base-Base interactions energy: -1862.283 where: short stacking energy: -831.838 Base-Backbone interact. energy: -1.140 local terms energy: -808.434167 where: bonds (distance) C4'-P energy: -127.857 bonds (distance) P-C4' energy: -156.021 flat angles C4'-P-C4' energy: -168.560 flat angles P-C4'-P energy: -115.073 tors. eta vs tors. theta energy: -240.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2544.386510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.386510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.386510 (E_RNA) where: Base-Base interactions energy: -1789.485 where: short stacking energy: -755.856 Base-Backbone interact. energy: -3.928 local terms energy: -750.973072 where: bonds (distance) C4'-P energy: -139.600 bonds (distance) P-C4' energy: -147.846 flat angles C4'-P-C4' energy: -159.058 flat angles P-C4'-P energy: -94.040 tors. eta vs tors. theta energy: -210.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2449.321624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.321624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.321624 (E_RNA) where: Base-Base interactions energy: -1693.874 where: short stacking energy: -705.883 Base-Backbone interact. energy: -1.535 local terms energy: -753.912613 where: bonds (distance) C4'-P energy: -136.504 bonds (distance) P-C4' energy: -147.806 flat angles C4'-P-C4' energy: -163.003 flat angles P-C4'-P energy: -104.714 tors. eta vs tors. theta energy: -201.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2287.874990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.874990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.874990 (E_RNA) where: Base-Base interactions energy: -1543.428 where: short stacking energy: -665.306 Base-Backbone interact. energy: -3.910 local terms energy: -740.537546 where: bonds (distance) C4'-P energy: -135.335 bonds (distance) P-C4' energy: -154.507 flat angles C4'-P-C4' energy: -152.573 flat angles P-C4'-P energy: -104.577 tors. eta vs tors. theta energy: -193.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2177.249965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.249965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.249965 (E_RNA) where: Base-Base interactions energy: -1484.809 where: short stacking energy: -629.093 Base-Backbone interact. energy: -1.734 local terms energy: -690.706076 where: bonds (distance) C4'-P energy: -140.497 bonds (distance) P-C4' energy: -138.976 flat angles C4'-P-C4' energy: -150.270 flat angles P-C4'-P energy: -78.641 tors. eta vs tors. theta energy: -182.322 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: 6, replica: 3 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -2042.865735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.865735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.865735 (E_RNA) where: Base-Base interactions energy: -1401.834 where: short stacking energy: -603.970 Base-Backbone interact. energy: -1.311 local terms energy: -639.721216 where: bonds (distance) C4'-P energy: -115.309 bonds (distance) P-C4' energy: -134.941 flat angles C4'-P-C4' energy: -139.529 flat angles P-C4'-P energy: -80.726 tors. eta vs tors. theta energy: -169.216 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: 9 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1943.914101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.914101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.914101 (E_RNA) where: Base-Base interactions energy: -1336.220 where: short stacking energy: -572.919 Base-Backbone interact. energy: -4.382 local terms energy: -603.312328 where: bonds (distance) C4'-P energy: -106.247 bonds (distance) P-C4' energy: -123.042 flat angles C4'-P-C4' energy: -146.610 flat angles P-C4'-P energy: -85.231 tors. eta vs tors. theta energy: -142.182 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: 10 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1496.616863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.616863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.616863 (E_RNA) where: Base-Base interactions energy: -928.003 where: short stacking energy: -448.708 Base-Backbone interact. energy: 1.448 local terms energy: -570.061469 where: bonds (distance) C4'-P energy: -136.214 bonds (distance) P-C4' energy: -134.209 flat angles C4'-P-C4' energy: -124.978 flat angles P-C4'-P energy: -79.772 tors. eta vs tors. theta energy: -94.888 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: 9, replica: 5 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1186.616052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.616052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.616052 (E_RNA) where: Base-Base interactions energy: -727.405 where: short stacking energy: -354.649 Base-Backbone interact. energy: -0.662 local terms energy: -458.548983 where: bonds (distance) C4'-P energy: -105.563 bonds (distance) P-C4' energy: -120.062 flat angles C4'-P-C4' energy: -118.929 flat angles P-C4'-P energy: -72.107 tors. eta vs tors. theta energy: -41.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -896.200217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.200217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.200217 (E_RNA) where: Base-Base interactions energy: -517.276 where: short stacking energy: -273.831 Base-Backbone interact. energy: 7.364 local terms energy: -386.287861 where: bonds (distance) C4'-P energy: -96.562 bonds (distance) P-C4' energy: -105.585 flat angles C4'-P-C4' energy: -107.454 flat angles P-C4'-P energy: -62.709 tors. eta vs tors. theta energy: -13.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -2665.806049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.806049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.806049 (E_RNA) where: Base-Base interactions energy: -1855.138 where: short stacking energy: -828.552 Base-Backbone interact. energy: -4.347 local terms energy: -806.321119 where: bonds (distance) C4'-P energy: -146.781 bonds (distance) P-C4' energy: -146.328 flat angles C4'-P-C4' energy: -171.393 flat angles P-C4'-P energy: -97.855 tors. eta vs tors. theta energy: -243.963 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: 4 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2553.372412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.372412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.372412 (E_RNA) where: Base-Base interactions energy: -1771.158 where: short stacking energy: -772.449 Base-Backbone interact. energy: -2.294 local terms energy: -779.921214 where: bonds (distance) C4'-P energy: -126.055 bonds (distance) P-C4' energy: -143.464 flat angles C4'-P-C4' energy: -176.741 flat angles P-C4'-P energy: -106.218 tors. eta vs tors. theta energy: -227.444 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: 8 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2491.859475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.859475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.859475 (E_RNA) where: Base-Base interactions energy: -1746.561 where: short stacking energy: -729.707 Base-Backbone interact. energy: -2.380 local terms energy: -742.918854 where: bonds (distance) C4'-P energy: -127.264 bonds (distance) P-C4' energy: -138.641 flat angles C4'-P-C4' energy: -164.488 flat angles P-C4'-P energy: -100.665 tors. eta vs tors. theta energy: -211.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2227.630352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.630352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.630352 (E_RNA) where: Base-Base interactions energy: -1504.238 where: short stacking energy: -633.584 Base-Backbone interact. energy: -2.680 local terms energy: -720.712106 where: bonds (distance) C4'-P energy: -121.540 bonds (distance) P-C4' energy: -152.525 flat angles C4'-P-C4' energy: -159.656 flat angles P-C4'-P energy: -104.935 tors. eta vs tors. theta energy: -182.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2151.290381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.290381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.290381 (E_RNA) where: Base-Base interactions energy: -1468.147 where: short stacking energy: -645.297 Base-Backbone interact. energy: -0.892 local terms energy: -682.251359 where: bonds (distance) C4'-P energy: -137.990 bonds (distance) P-C4' energy: -132.685 flat angles C4'-P-C4' energy: -152.715 flat angles P-C4'-P energy: -85.737 tors. eta vs tors. theta energy: -173.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -2003.722036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.722036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.722036 (E_RNA) where: Base-Base interactions energy: -1349.644 where: short stacking energy: -580.585 Base-Backbone interact. energy: -1.969 local terms energy: -652.109166 where: bonds (distance) C4'-P energy: -129.819 bonds (distance) P-C4' energy: -138.267 flat angles C4'-P-C4' energy: -141.866 flat angles P-C4'-P energy: -75.128 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: 7, replica: 9 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1859.723884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.723884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.723884 (E_RNA) where: Base-Base interactions energy: -1245.519 where: short stacking energy: -518.730 Base-Backbone interact. energy: -0.745 local terms energy: -613.459682 where: bonds (distance) C4'-P energy: -103.081 bonds (distance) P-C4' energy: -136.020 flat angles C4'-P-C4' energy: -135.153 flat angles P-C4'-P energy: -112.376 tors. eta vs tors. theta energy: -126.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1468.055070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.055070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.055070 (E_RNA) where: Base-Base interactions energy: -933.757 where: short stacking energy: -418.602 Base-Backbone interact. energy: -2.050 local terms energy: -532.247871 where: bonds (distance) C4'-P energy: -122.386 bonds (distance) P-C4' energy: -130.945 flat angles C4'-P-C4' energy: -129.586 flat angles P-C4'-P energy: -70.621 tors. eta vs tors. theta energy: -78.710 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: 5 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -1205.526089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.526089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.526089 (E_RNA) where: Base-Base interactions energy: -701.907 where: short stacking energy: -378.375 Base-Backbone interact. energy: -2.238 local terms energy: -501.380386 where: bonds (distance) C4'-P energy: -115.071 bonds (distance) P-C4' energy: -133.112 flat angles C4'-P-C4' energy: -125.086 flat angles P-C4'-P energy: -52.077 tors. eta vs tors. theta energy: -76.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -878.527753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.527753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.527753 (E_RNA) where: Base-Base interactions energy: -467.304 where: short stacking energy: -270.799 Base-Backbone interact. energy: 3.258 local terms energy: -414.481689 where: bonds (distance) C4'-P energy: -105.141 bonds (distance) P-C4' energy: -123.567 flat angles C4'-P-C4' energy: -109.690 flat angles P-C4'-P energy: -74.029 tors. eta vs tors. theta energy: -2.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -2641.758671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.758671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.758671 (E_RNA) where: Base-Base interactions energy: -1828.808 where: short stacking energy: -798.479 Base-Backbone interact. energy: -3.249 local terms energy: -809.702442 where: bonds (distance) C4'-P energy: -143.534 bonds (distance) P-C4' energy: -153.712 flat angles C4'-P-C4' energy: -179.918 flat angles P-C4'-P energy: -100.768 tors. eta vs tors. theta energy: -231.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2525.739698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.739698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.739698 (E_RNA) where: Base-Base interactions energy: -1740.903 where: short stacking energy: -755.199 Base-Backbone interact. energy: -0.774 local terms energy: -784.062797 where: bonds (distance) C4'-P energy: -138.071 bonds (distance) P-C4' energy: -154.407 flat angles C4'-P-C4' energy: -151.021 flat angles P-C4'-P energy: -115.857 tors. eta vs tors. theta energy: -224.707 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: 8 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2460.414149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.414149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.414149 (E_RNA) where: Base-Base interactions energy: -1697.556 where: short stacking energy: -691.788 Base-Backbone interact. energy: 0.531 local terms energy: -763.388859 where: bonds (distance) C4'-P energy: -145.986 bonds (distance) P-C4' energy: -155.211 flat angles C4'-P-C4' energy: -152.273 flat angles P-C4'-P energy: -104.717 tors. eta vs tors. theta energy: -205.202 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: 6 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2282.156417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.156417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.156417 (E_RNA) where: Base-Base interactions energy: -1539.776 where: short stacking energy: -666.965 Base-Backbone interact. energy: -2.984 local terms energy: -739.395739 where: bonds (distance) C4'-P energy: -129.672 bonds (distance) P-C4' energy: -146.599 flat angles C4'-P-C4' energy: -153.189 flat angles P-C4'-P energy: -116.434 tors. eta vs tors. theta energy: -193.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2153.398349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.398349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.398349 (E_RNA) where: Base-Base interactions energy: -1447.701 where: short stacking energy: -643.848 Base-Backbone interact. energy: -2.750 local terms energy: -702.947388 where: bonds (distance) C4'-P energy: -137.744 bonds (distance) P-C4' energy: -151.183 flat angles C4'-P-C4' energy: -143.520 flat angles P-C4'-P energy: -90.908 tors. eta vs tors. theta energy: -179.593 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: 3 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1975.550008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.550008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.550008 (E_RNA) where: Base-Base interactions energy: -1317.704 where: short stacking energy: -574.606 Base-Backbone interact. energy: -0.697 local terms energy: -657.148920 where: bonds (distance) C4'-P energy: -141.334 bonds (distance) P-C4' energy: -132.127 flat angles C4'-P-C4' energy: -140.544 flat angles P-C4'-P energy: -97.090 tors. eta vs tors. theta energy: -146.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1820.244130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.244130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.244130 (E_RNA) where: Base-Base interactions energy: -1224.009 where: short stacking energy: -552.746 Base-Backbone interact. energy: 2.034 local terms energy: -598.268709 where: bonds (distance) C4'-P energy: -95.091 bonds (distance) P-C4' energy: -134.447 flat angles C4'-P-C4' energy: -136.167 flat angles P-C4'-P energy: -90.536 tors. eta vs tors. theta energy: -142.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1487.034228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.034228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.034228 (E_RNA) where: Base-Base interactions energy: -935.595 where: short stacking energy: -446.882 Base-Backbone interact. energy: 3.771 local terms energy: -555.209915 where: bonds (distance) C4'-P energy: -115.594 bonds (distance) P-C4' energy: -124.605 flat angles C4'-P-C4' energy: -130.641 flat angles P-C4'-P energy: -84.721 tors. eta vs tors. theta energy: -99.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -1161.617225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.617225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.617225 (E_RNA) where: Base-Base interactions energy: -671.723 where: short stacking energy: -312.947 Base-Backbone interact. energy: -2.900 local terms energy: -486.993455 where: bonds (distance) C4'-P energy: -120.503 bonds (distance) P-C4' energy: -141.472 flat angles C4'-P-C4' energy: -110.914 flat angles P-C4'-P energy: -70.803 tors. eta vs tors. theta energy: -43.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -934.443652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.443652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.443652 (E_RNA) where: Base-Base interactions energy: -518.670 where: short stacking energy: -262.300 Base-Backbone interact. energy: 4.072 local terms energy: -419.845438 where: bonds (distance) C4'-P energy: -132.787 bonds (distance) P-C4' energy: -117.900 flat angles C4'-P-C4' energy: -117.517 flat angles P-C4'-P energy: -53.221 tors. eta vs tors. theta energy: 1.581 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: 1 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2650.182208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.182208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.182208 (E_RNA) where: Base-Base interactions energy: -1834.067 where: short stacking energy: -774.134 Base-Backbone interact. energy: 1.565 local terms energy: -817.680589 where: bonds (distance) C4'-P energy: -153.077 bonds (distance) P-C4' energy: -154.802 flat angles C4'-P-C4' energy: -175.989 flat angles P-C4'-P energy: -99.193 tors. eta vs tors. theta energy: -234.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2536.182509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.182509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.182509 (E_RNA) where: Base-Base interactions energy: -1744.135 where: short stacking energy: -777.328 Base-Backbone interact. energy: -3.207 local terms energy: -788.839824 where: bonds (distance) C4'-P energy: -139.985 bonds (distance) P-C4' energy: -156.050 flat angles C4'-P-C4' energy: -152.270 flat angles P-C4'-P energy: -105.885 tors. eta vs tors. theta energy: -234.650 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: 8 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2463.226227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.226227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.226227 (E_RNA) where: Base-Base interactions energy: -1718.242 where: short stacking energy: -716.773 Base-Backbone interact. energy: -4.774 local terms energy: -740.210806 where: bonds (distance) C4'-P energy: -146.967 bonds (distance) P-C4' energy: -135.196 flat angles C4'-P-C4' energy: -149.099 flat angles P-C4'-P energy: -94.096 tors. eta vs tors. theta energy: -214.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2302.148813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.148813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.148813 (E_RNA) where: Base-Base interactions energy: -1567.726 where: short stacking energy: -684.157 Base-Backbone interact. energy: -2.260 local terms energy: -732.162594 where: bonds (distance) C4'-P energy: -116.247 bonds (distance) P-C4' energy: -134.000 flat angles C4'-P-C4' energy: -177.137 flat angles P-C4'-P energy: -104.981 tors. eta vs tors. theta energy: -199.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2104.112918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.112918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.112918 (E_RNA) where: Base-Base interactions energy: -1434.833 where: short stacking energy: -637.228 Base-Backbone interact. energy: 1.961 local terms energy: -671.241124 where: bonds (distance) C4'-P energy: -131.561 bonds (distance) P-C4' energy: -131.701 flat angles C4'-P-C4' energy: -136.708 flat angles P-C4'-P energy: -97.596 tors. eta vs tors. theta energy: -173.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1941.922951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.922951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.922951 (E_RNA) where: Base-Base interactions energy: -1323.771 where: short stacking energy: -569.824 Base-Backbone interact. energy: -2.507 local terms energy: -615.645460 where: bonds (distance) C4'-P energy: -109.774 bonds (distance) P-C4' energy: -139.940 flat angles C4'-P-C4' energy: -143.786 flat angles P-C4'-P energy: -84.504 tors. eta vs tors. theta energy: -137.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1788.860084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.860084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.860084 (E_RNA) where: Base-Base interactions energy: -1229.277 where: short stacking energy: -538.627 Base-Backbone interact. energy: -0.661 local terms energy: -558.921852 where: bonds (distance) C4'-P energy: -103.540 bonds (distance) P-C4' energy: -107.983 flat angles C4'-P-C4' energy: -137.970 flat angles P-C4'-P energy: -78.306 tors. eta vs tors. theta energy: -131.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1505.790440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.790440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.790440 (E_RNA) where: Base-Base interactions energy: -960.434 where: short stacking energy: -436.382 Base-Backbone interact. energy: -1.281 local terms energy: -544.074909 where: bonds (distance) C4'-P energy: -119.366 bonds (distance) P-C4' energy: -115.827 flat angles C4'-P-C4' energy: -139.023 flat angles P-C4'-P energy: -78.795 tors. eta vs tors. theta energy: -91.064 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: 9, replica: 5 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1158.470287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.470287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.470287 (E_RNA) where: Base-Base interactions energy: -691.107 where: short stacking energy: -354.007 Base-Backbone interact. energy: 0.755 local terms energy: -468.117647 where: bonds (distance) C4'-P energy: -118.452 bonds (distance) P-C4' energy: -92.344 flat angles C4'-P-C4' energy: -116.089 flat angles P-C4'-P energy: -88.245 tors. eta vs tors. theta energy: -52.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -890.451987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.451987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.451987 (E_RNA) where: Base-Base interactions energy: -471.594 where: short stacking energy: -252.615 Base-Backbone interact. energy: -0.537 local terms energy: -418.321498 where: bonds (distance) C4'-P energy: -113.221 bonds (distance) P-C4' energy: -116.405 flat angles C4'-P-C4' energy: -116.183 flat angles P-C4'-P energy: -54.515 tors. eta vs tors. theta energy: -17.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -2677.820609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.820609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.820609 (E_RNA) where: Base-Base interactions energy: -1821.527 where: short stacking energy: -805.567 Base-Backbone interact. energy: -3.768 local terms energy: -852.525591 where: bonds (distance) C4'-P energy: -149.603 bonds (distance) P-C4' energy: -162.438 flat angles C4'-P-C4' energy: -181.439 flat angles P-C4'-P energy: -112.855 tors. eta vs tors. theta energy: -246.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2553.137082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.137082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.137082 (E_RNA) where: Base-Base interactions energy: -1757.308 where: short stacking energy: -779.334 Base-Backbone interact. energy: -2.453 local terms energy: -793.376669 where: bonds (distance) C4'-P energy: -141.590 bonds (distance) P-C4' energy: -144.070 flat angles C4'-P-C4' energy: -169.933 flat angles P-C4'-P energy: -114.629 tors. eta vs tors. theta energy: -223.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2438.175524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.175524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.175524 (E_RNA) where: Base-Base interactions energy: -1690.694 where: short stacking energy: -727.780 Base-Backbone interact. energy: -2.318 local terms energy: -745.162968 where: bonds (distance) C4'-P energy: -128.352 bonds (distance) P-C4' energy: -152.351 flat angles C4'-P-C4' energy: -143.390 flat angles P-C4'-P energy: -100.036 tors. eta vs tors. theta energy: -221.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2286.813199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.813199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.813199 (E_RNA) where: Base-Base interactions energy: -1561.623 where: short stacking energy: -661.586 Base-Backbone interact. energy: -2.185 local terms energy: -723.004448 where: bonds (distance) C4'-P energy: -124.222 bonds (distance) P-C4' energy: -138.786 flat angles C4'-P-C4' energy: -152.103 flat angles P-C4'-P energy: -118.061 tors. eta vs tors. theta energy: -189.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2209.957075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.957075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.957075 (E_RNA) where: Base-Base interactions energy: -1485.889 where: short stacking energy: -686.618 Base-Backbone interact. energy: -2.111 local terms energy: -721.957199 where: bonds (distance) C4'-P energy: -122.002 bonds (distance) P-C4' energy: -141.308 flat angles C4'-P-C4' energy: -159.452 flat angles P-C4'-P energy: -104.555 tors. eta vs tors. theta energy: -194.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1914.088578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.088578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.088578 (E_RNA) where: Base-Base interactions energy: -1313.616 where: short stacking energy: -544.837 Base-Backbone interact. energy: -1.839 local terms energy: -598.633582 where: bonds (distance) C4'-P energy: -120.105 bonds (distance) P-C4' energy: -122.584 flat angles C4'-P-C4' energy: -140.866 flat angles P-C4'-P energy: -83.365 tors. eta vs tors. theta energy: -131.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1848.813082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.813082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.813082 (E_RNA) where: Base-Base interactions energy: -1255.912 where: short stacking energy: -567.623 Base-Backbone interact. energy: 1.285 local terms energy: -594.185634 where: bonds (distance) C4'-P energy: -104.272 bonds (distance) P-C4' energy: -139.626 flat angles C4'-P-C4' energy: -132.013 flat angles P-C4'-P energy: -85.239 tors. eta vs tors. theta energy: -133.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1453.671934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.671934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.671934 (E_RNA) where: Base-Base interactions energy: -918.266 where: short stacking energy: -413.729 Base-Backbone interact. energy: -1.070 local terms energy: -534.335381 where: bonds (distance) C4'-P energy: -128.267 bonds (distance) P-C4' energy: -132.914 flat angles C4'-P-C4' energy: -123.015 flat angles P-C4'-P energy: -58.892 tors. eta vs tors. theta energy: -91.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1212.010633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.010633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.010633 (E_RNA) where: Base-Base interactions energy: -753.527 where: short stacking energy: -367.480 Base-Backbone interact. energy: -0.394 local terms energy: -458.089892 where: bonds (distance) C4'-P energy: -126.397 bonds (distance) P-C4' energy: -101.714 flat angles C4'-P-C4' energy: -109.751 flat angles P-C4'-P energy: -63.295 tors. eta vs tors. theta energy: -56.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -908.850723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.850723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.850723 (E_RNA) where: Base-Base interactions energy: -517.723 where: short stacking energy: -268.590 Base-Backbone interact. energy: 2.896 local terms energy: -394.023741 where: bonds (distance) C4'-P energy: -119.909 bonds (distance) P-C4' energy: -127.008 flat angles C4'-P-C4' energy: -60.176 flat angles P-C4'-P energy: -75.955 tors. eta vs tors. theta energy: -10.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -2666.452167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.452167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.452167 (E_RNA) where: Base-Base interactions energy: -1857.379 where: short stacking energy: -808.908 Base-Backbone interact. energy: -4.305 local terms energy: -804.768177 where: bonds (distance) C4'-P energy: -126.454 bonds (distance) P-C4' energy: -160.084 flat angles C4'-P-C4' energy: -173.070 flat angles P-C4'-P energy: -110.048 tors. eta vs tors. theta energy: -235.113 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: 4 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2533.444534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.444534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.444534 (E_RNA) where: Base-Base interactions energy: -1745.839 where: short stacking energy: -781.829 Base-Backbone interact. energy: -1.244 local terms energy: -786.362329 where: bonds (distance) C4'-P energy: -143.753 bonds (distance) P-C4' energy: -151.780 flat angles C4'-P-C4' energy: -164.018 flat angles P-C4'-P energy: -108.152 tors. eta vs tors. theta energy: -218.659 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: 8 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2410.275438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.275438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.275438 (E_RNA) where: Base-Base interactions energy: -1646.866 where: short stacking energy: -694.765 Base-Backbone interact. energy: -1.886 local terms energy: -761.523199 where: bonds (distance) C4'-P energy: -147.325 bonds (distance) P-C4' energy: -148.030 flat angles C4'-P-C4' energy: -150.461 flat angles P-C4'-P energy: -103.979 tors. eta vs tors. theta energy: -211.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2245.635027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.635027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.635027 (E_RNA) where: Base-Base interactions energy: -1511.683 where: short stacking energy: -673.000 Base-Backbone interact. energy: -3.856 local terms energy: -730.095565 where: bonds (distance) C4'-P energy: -147.286 bonds (distance) P-C4' energy: -134.549 flat angles C4'-P-C4' energy: -162.530 flat angles P-C4'-P energy: -99.770 tors. eta vs tors. theta energy: -185.961 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: 483 Temperature: 1.100000 Total energy: -2122.755916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.755916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.755916 (E_RNA) where: Base-Base interactions energy: -1435.980 where: short stacking energy: -667.257 Base-Backbone interact. energy: 0.591 local terms energy: -687.367456 where: bonds (distance) C4'-P energy: -121.700 bonds (distance) P-C4' energy: -121.349 flat angles C4'-P-C4' energy: -163.905 flat angles P-C4'-P energy: -99.710 tors. eta vs tors. theta energy: -180.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1968.812727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.812727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.812727 (E_RNA) where: Base-Base interactions energy: -1302.715 where: short stacking energy: -540.557 Base-Backbone interact. energy: -1.531 local terms energy: -664.566487 where: bonds (distance) C4'-P energy: -140.446 bonds (distance) P-C4' energy: -132.344 flat angles C4'-P-C4' energy: -153.470 flat angles P-C4'-P energy: -100.853 tors. eta vs tors. theta energy: -137.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1852.945240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.945240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.945240 (E_RNA) where: Base-Base interactions energy: -1229.534 where: short stacking energy: -565.966 Base-Backbone interact. energy: -0.711 local terms energy: -622.700848 where: bonds (distance) C4'-P energy: -122.216 bonds (distance) P-C4' energy: -139.045 flat angles C4'-P-C4' energy: -131.760 flat angles P-C4'-P energy: -83.106 tors. eta vs tors. theta energy: -146.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1411.091752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.091752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.091752 (E_RNA) where: Base-Base interactions energy: -867.109 where: short stacking energy: -392.519 Base-Backbone interact. energy: -1.333 local terms energy: -542.649597 where: bonds (distance) C4'-P energy: -119.571 bonds (distance) P-C4' energy: -134.300 flat angles C4'-P-C4' energy: -109.160 flat angles P-C4'-P energy: -96.766 tors. eta vs tors. theta energy: -82.853 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: 5 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -1202.224066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.224066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.224066 (E_RNA) where: Base-Base interactions energy: -750.048 where: short stacking energy: -355.119 Base-Backbone interact. energy: -0.414 local terms energy: -451.762183 where: bonds (distance) C4'-P energy: -101.297 bonds (distance) P-C4' energy: -132.491 flat angles C4'-P-C4' energy: -103.655 flat angles P-C4'-P energy: -76.550 tors. eta vs tors. theta energy: -37.770 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: 2 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -875.546566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.546566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.546566 (E_RNA) where: Base-Base interactions energy: -470.075 where: short stacking energy: -258.227 Base-Backbone interact. energy: 4.607 local terms energy: -410.079553 where: bonds (distance) C4'-P energy: -127.646 bonds (distance) P-C4' energy: -125.341 flat angles C4'-P-C4' energy: -107.682 flat angles P-C4'-P energy: -53.039 tors. eta vs tors. theta energy: 3.629 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: 1 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -2700.467736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.467736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.467736 (E_RNA) where: Base-Base interactions energy: -1870.832 where: short stacking energy: -826.051 Base-Backbone interact. energy: -3.828 local terms energy: -825.807123 where: bonds (distance) C4'-P energy: -139.866 bonds (distance) P-C4' energy: -154.354 flat angles C4'-P-C4' energy: -175.295 flat angles P-C4'-P energy: -111.677 tors. eta vs tors. theta energy: -244.616 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: 4 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -2558.080297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.080297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.080297 (E_RNA) where: Base-Base interactions energy: -1764.328 where: short stacking energy: -775.431 Base-Backbone interact. energy: 4.758 local terms energy: -798.510308 where: bonds (distance) C4'-P energy: -149.513 bonds (distance) P-C4' energy: -148.118 flat angles C4'-P-C4' energy: -153.525 flat angles P-C4'-P energy: -121.013 tors. eta vs tors. theta energy: -226.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2492.823034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.823034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.823034 (E_RNA) where: Base-Base interactions energy: -1733.212 where: short stacking energy: -728.448 Base-Backbone interact. energy: -0.964 local terms energy: -758.647067 where: bonds (distance) C4'-P energy: -130.475 bonds (distance) P-C4' energy: -136.325 flat angles C4'-P-C4' energy: -174.792 flat angles P-C4'-P energy: -113.596 tors. eta vs tors. theta energy: -203.460 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: 6 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2243.221701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.221701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.221701 (E_RNA) where: Base-Base interactions energy: -1558.880 where: short stacking energy: -672.971 Base-Backbone interact. energy: -1.633 local terms energy: -682.708164 where: bonds (distance) C4'-P energy: -127.703 bonds (distance) P-C4' energy: -126.709 flat angles C4'-P-C4' energy: -142.996 flat angles P-C4'-P energy: -97.786 tors. eta vs tors. theta energy: -187.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2087.497159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.497159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.497159 (E_RNA) where: Base-Base interactions energy: -1389.203 where: short stacking energy: -639.379 Base-Backbone interact. energy: -3.652 local terms energy: -694.641650 where: bonds (distance) C4'-P energy: -136.905 bonds (distance) P-C4' energy: -134.166 flat angles C4'-P-C4' energy: -153.028 flat angles P-C4'-P energy: -100.355 tors. eta vs tors. theta energy: -170.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1988.623377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.623377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.623377 (E_RNA) where: Base-Base interactions energy: -1343.352 where: short stacking energy: -587.110 Base-Backbone interact. energy: -2.760 local terms energy: -642.511988 where: bonds (distance) C4'-P energy: -120.641 bonds (distance) P-C4' energy: -141.445 flat angles C4'-P-C4' energy: -122.494 flat angles P-C4'-P energy: -96.011 tors. eta vs tors. theta energy: -161.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1840.345206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.345206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.345206 (E_RNA) where: Base-Base interactions energy: -1227.901 where: short stacking energy: -538.900 Base-Backbone interact. energy: -1.020 local terms energy: -611.423738 where: bonds (distance) C4'-P energy: -127.918 bonds (distance) P-C4' energy: -113.077 flat angles C4'-P-C4' energy: -153.495 flat angles P-C4'-P energy: -91.375 tors. eta vs tors. theta energy: -125.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1496.174314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.174314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.174314 (E_RNA) where: Base-Base interactions energy: -970.916 where: short stacking energy: -440.582 Base-Backbone interact. energy: 5.353 local terms energy: -530.611491 where: bonds (distance) C4'-P energy: -121.819 bonds (distance) P-C4' energy: -134.238 flat angles C4'-P-C4' energy: -116.769 flat angles P-C4'-P energy: -76.661 tors. eta vs tors. theta energy: -81.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1181.025152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.025152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.025152 (E_RNA) where: Base-Base interactions energy: -722.059 where: short stacking energy: -352.872 Base-Backbone interact. energy: 4.368 local terms energy: -463.333384 where: bonds (distance) C4'-P energy: -130.181 bonds (distance) P-C4' energy: -112.388 flat angles C4'-P-C4' energy: -103.031 flat angles P-C4'-P energy: -66.599 tors. eta vs tors. theta energy: -51.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -901.686376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.686376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.686376 (E_RNA) where: Base-Base interactions energy: -496.258 where: short stacking energy: -257.971 Base-Backbone interact. energy: 4.291 local terms energy: -409.718548 where: bonds (distance) C4'-P energy: -117.222 bonds (distance) P-C4' energy: -112.281 flat angles C4'-P-C4' energy: -113.933 flat angles P-C4'-P energy: -70.673 tors. eta vs tors. theta energy: 4.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -2660.453386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.453386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.453386 (E_RNA) where: Base-Base interactions energy: -1826.014 where: short stacking energy: -796.307 Base-Backbone interact. energy: 3.466 local terms energy: -837.905536 where: bonds (distance) C4'-P energy: -141.606 bonds (distance) P-C4' energy: -162.164 flat angles C4'-P-C4' energy: -174.795 flat angles P-C4'-P energy: -119.756 tors. eta vs tors. theta energy: -239.584 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: 2, replica: 4 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2533.142701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.142701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.142701 (E_RNA) where: Base-Base interactions energy: -1750.205 where: short stacking energy: -764.250 Base-Backbone interact. energy: -2.862 local terms energy: -780.076290 where: bonds (distance) C4'-P energy: -142.472 bonds (distance) P-C4' energy: -150.881 flat angles C4'-P-C4' energy: -160.128 flat angles P-C4'-P energy: -110.756 tors. eta vs tors. theta energy: -215.840 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: 8 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2427.686749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.686749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.686749 (E_RNA) where: Base-Base interactions energy: -1656.222 where: short stacking energy: -700.793 Base-Backbone interact. energy: -1.194 local terms energy: -770.270149 where: bonds (distance) C4'-P energy: -131.122 bonds (distance) P-C4' energy: -147.199 flat angles C4'-P-C4' energy: -170.089 flat angles P-C4'-P energy: -116.010 tors. eta vs tors. theta energy: -205.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2227.184154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.184154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.184154 (E_RNA) where: Base-Base interactions energy: -1553.879 where: short stacking energy: -690.173 Base-Backbone interact. energy: 6.417 local terms energy: -679.721758 where: bonds (distance) C4'-P energy: -129.430 bonds (distance) P-C4' energy: -120.762 flat angles C4'-P-C4' energy: -159.268 flat angles P-C4'-P energy: -100.997 tors. eta vs tors. theta energy: -169.266 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: 7 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2145.559747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.559747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.559747 (E_RNA) where: Base-Base interactions energy: -1472.004 where: short stacking energy: -625.612 Base-Backbone interact. energy: -2.538 local terms energy: -671.017950 where: bonds (distance) C4'-P energy: -123.692 bonds (distance) P-C4' energy: -127.355 flat angles C4'-P-C4' energy: -159.644 flat angles P-C4'-P energy: -86.890 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: 6, replica: 3 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -2041.186978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.186978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.186978 (E_RNA) where: Base-Base interactions energy: -1388.037 where: short stacking energy: -599.521 Base-Backbone interact. energy: -3.188 local terms energy: -649.962415 where: bonds (distance) C4'-P energy: -111.109 bonds (distance) P-C4' energy: -133.639 flat angles C4'-P-C4' energy: -126.541 flat angles P-C4'-P energy: -98.839 tors. eta vs tors. theta energy: -179.834 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: 9 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1875.090463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.090463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.090463 (E_RNA) where: Base-Base interactions energy: -1259.774 where: short stacking energy: -529.420 Base-Backbone interact. energy: 3.412 local terms energy: -618.728894 where: bonds (distance) C4'-P energy: -121.769 bonds (distance) P-C4' energy: -133.105 flat angles C4'-P-C4' energy: -143.020 flat angles P-C4'-P energy: -81.428 tors. eta vs tors. theta energy: -139.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1519.362980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.362980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.362980 (E_RNA) where: Base-Base interactions energy: -958.401 where: short stacking energy: -428.599 Base-Backbone interact. energy: -1.351 local terms energy: -559.610919 where: bonds (distance) C4'-P energy: -124.537 bonds (distance) P-C4' energy: -142.258 flat angles C4'-P-C4' energy: -131.314 flat angles P-C4'-P energy: -65.408 tors. eta vs tors. theta energy: -96.094 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: 9, replica: 5 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -1216.997201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.997201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.997201 (E_RNA) where: Base-Base interactions energy: -733.890 where: short stacking energy: -349.151 Base-Backbone interact. energy: -3.816 local terms energy: -479.291453 where: bonds (distance) C4'-P energy: -108.488 bonds (distance) P-C4' energy: -118.836 flat angles C4'-P-C4' energy: -127.490 flat angles P-C4'-P energy: -74.436 tors. eta vs tors. theta energy: -50.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -848.224594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.224594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.224594 (E_RNA) where: Base-Base interactions energy: -463.353 where: short stacking energy: -259.089 Base-Backbone interact. energy: -1.764 local terms energy: -383.107696 where: bonds (distance) C4'-P energy: -106.440 bonds (distance) P-C4' energy: -111.725 flat angles C4'-P-C4' energy: -94.228 flat angles P-C4'-P energy: -72.994 tors. eta vs tors. theta energy: 2.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -2662.968250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.968250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.968250 (E_RNA) where: Base-Base interactions energy: -1834.894 where: short stacking energy: -789.008 Base-Backbone interact. energy: -0.846 local terms energy: -827.228484 where: bonds (distance) C4'-P energy: -146.329 bonds (distance) P-C4' energy: -151.878 flat angles C4'-P-C4' energy: -178.644 flat angles P-C4'-P energy: -115.804 tors. eta vs tors. theta energy: -234.574 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: 4 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2520.299677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.299677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.299677 (E_RNA) where: Base-Base interactions energy: -1733.470 where: short stacking energy: -764.980 Base-Backbone interact. energy: -2.195 local terms energy: -784.634527 where: bonds (distance) C4'-P energy: -144.842 bonds (distance) P-C4' energy: -141.722 flat angles C4'-P-C4' energy: -175.284 flat angles P-C4'-P energy: -103.129 tors. eta vs tors. theta energy: -219.657 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: 8 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2396.803178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.803178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.803178 (E_RNA) where: Base-Base interactions energy: -1628.068 where: short stacking energy: -682.108 Base-Backbone interact. energy: -6.661 local terms energy: -762.074193 where: bonds (distance) C4'-P energy: -144.562 bonds (distance) P-C4' energy: -142.128 flat angles C4'-P-C4' energy: -164.267 flat angles P-C4'-P energy: -97.950 tors. eta vs tors. theta energy: -213.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2232.852790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.852790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.852790 (E_RNA) where: Base-Base interactions energy: -1503.048 where: short stacking energy: -650.868 Base-Backbone interact. energy: -1.587 local terms energy: -728.218235 where: bonds (distance) C4'-P energy: -143.086 bonds (distance) P-C4' energy: -144.989 flat angles C4'-P-C4' energy: -159.545 flat angles P-C4'-P energy: -98.888 tors. eta vs tors. theta energy: -181.709 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: 3 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2119.510268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.510268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.510268 (E_RNA) where: Base-Base interactions energy: -1428.031 where: short stacking energy: -616.036 Base-Backbone interact. energy: -2.871 local terms energy: -688.608078 where: bonds (distance) C4'-P energy: -136.147 bonds (distance) P-C4' energy: -138.504 flat angles C4'-P-C4' energy: -155.460 flat angles P-C4'-P energy: -98.021 tors. eta vs tors. theta energy: -160.475 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: 6, replica: 7 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -2073.099871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.099871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.099871 (E_RNA) where: Base-Base interactions energy: -1389.188 where: short stacking energy: -624.921 Base-Backbone interact. energy: -3.134 local terms energy: -680.777480 where: bonds (distance) C4'-P energy: -118.022 bonds (distance) P-C4' energy: -124.348 flat angles C4'-P-C4' energy: -154.852 flat angles P-C4'-P energy: -87.420 tors. eta vs tors. theta energy: -196.136 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: 9 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1840.256231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.256231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.256231 (E_RNA) where: Base-Base interactions energy: -1243.317 where: short stacking energy: -518.464 Base-Backbone interact. energy: 3.885 local terms energy: -600.824631 where: bonds (distance) C4'-P energy: -121.398 bonds (distance) P-C4' energy: -116.689 flat angles C4'-P-C4' energy: -134.705 flat angles P-C4'-P energy: -89.967 tors. eta vs tors. theta energy: -138.067 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: 10 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1493.783753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.783753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.783753 (E_RNA) where: Base-Base interactions energy: -919.677 where: short stacking energy: -411.814 Base-Backbone interact. energy: 3.643 local terms energy: -577.749285 where: bonds (distance) C4'-P energy: -126.746 bonds (distance) P-C4' energy: -136.656 flat angles C4'-P-C4' energy: -134.681 flat angles P-C4'-P energy: -96.084 tors. eta vs tors. theta energy: -83.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -1217.122881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.122881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.122881 (E_RNA) where: Base-Base interactions energy: -725.451 where: short stacking energy: -331.226 Base-Backbone interact. energy: -1.288 local terms energy: -490.383819 where: bonds (distance) C4'-P energy: -117.447 bonds (distance) P-C4' energy: -122.369 flat angles C4'-P-C4' energy: -125.963 flat angles P-C4'-P energy: -76.704 tors. eta vs tors. theta energy: -47.901 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: 2 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -878.054134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.054134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.054134 (E_RNA) where: Base-Base interactions energy: -470.055 where: short stacking energy: -234.994 Base-Backbone interact. energy: 0.659 local terms energy: -408.657235 where: bonds (distance) C4'-P energy: -119.291 bonds (distance) P-C4' energy: -126.952 flat angles C4'-P-C4' energy: -99.625 flat angles P-C4'-P energy: -62.600 tors. eta vs tors. theta energy: -0.189 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: 1 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -2665.071551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.071551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.071551 (E_RNA) where: Base-Base interactions energy: -1832.567 where: short stacking energy: -791.803 Base-Backbone interact. energy: -4.174 local terms energy: -828.330611 where: bonds (distance) C4'-P energy: -163.072 bonds (distance) P-C4' energy: -149.902 flat angles C4'-P-C4' energy: -162.267 flat angles P-C4'-P energy: -114.809 tors. eta vs tors. theta energy: -238.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2538.925178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.925178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.925178 (E_RNA) where: Base-Base interactions energy: -1747.422 where: short stacking energy: -759.751 Base-Backbone interact. energy: 2.815 local terms energy: -794.318231 where: bonds (distance) C4'-P energy: -151.063 bonds (distance) P-C4' energy: -148.545 flat angles C4'-P-C4' energy: -163.941 flat angles P-C4'-P energy: -102.162 tors. eta vs tors. theta energy: -228.607 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: 8 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2379.197094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.197094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.197094 (E_RNA) where: Base-Base interactions energy: -1649.918 where: short stacking energy: -709.652 Base-Backbone interact. energy: -0.505 local terms energy: -728.774112 where: bonds (distance) C4'-P energy: -139.079 bonds (distance) P-C4' energy: -139.183 flat angles C4'-P-C4' energy: -149.554 flat angles P-C4'-P energy: -99.764 tors. eta vs tors. theta energy: -201.194 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: 4, replica: 6 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2254.208518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.208518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.208518 (E_RNA) where: Base-Base interactions energy: -1534.366 where: short stacking energy: -671.604 Base-Backbone interact. energy: -2.255 local terms energy: -717.587745 where: bonds (distance) C4'-P energy: -129.744 bonds (distance) P-C4' energy: -130.400 flat angles C4'-P-C4' energy: -165.111 flat angles P-C4'-P energy: -115.416 tors. eta vs tors. theta energy: -176.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2144.674070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.674070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.674070 (E_RNA) where: Base-Base interactions energy: -1492.093 where: short stacking energy: -610.252 Base-Backbone interact. energy: -4.864 local terms energy: -647.716311 where: bonds (distance) C4'-P energy: -117.224 bonds (distance) P-C4' energy: -121.977 flat angles C4'-P-C4' energy: -152.641 flat angles P-C4'-P energy: -84.317 tors. eta vs tors. theta energy: -171.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -2068.640026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.640026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.640026 (E_RNA) where: Base-Base interactions energy: -1377.457 where: short stacking energy: -627.849 Base-Backbone interact. energy: -0.012 local terms energy: -691.170910 where: bonds (distance) C4'-P energy: -122.373 bonds (distance) P-C4' energy: -148.606 flat angles C4'-P-C4' energy: -146.335 flat angles P-C4'-P energy: -97.679 tors. eta vs tors. theta energy: -176.178 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: 9 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1940.670405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.670405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.670405 (E_RNA) where: Base-Base interactions energy: -1316.274 where: short stacking energy: -578.190 Base-Backbone interact. energy: -2.306 local terms energy: -622.089877 where: bonds (distance) C4'-P energy: -128.500 bonds (distance) P-C4' energy: -107.299 flat angles C4'-P-C4' energy: -132.921 flat angles P-C4'-P energy: -96.975 tors. eta vs tors. theta energy: -156.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1511.545899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.545899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.545899 (E_RNA) where: Base-Base interactions energy: -952.943 where: short stacking energy: -452.023 Base-Backbone interact. energy: 0.655 local terms energy: -559.257852 where: bonds (distance) C4'-P energy: -114.601 bonds (distance) P-C4' energy: -134.505 flat angles C4'-P-C4' energy: -137.096 flat angles P-C4'-P energy: -80.005 tors. eta vs tors. theta energy: -93.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -1168.125871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.125871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.125871 (E_RNA) where: Base-Base interactions energy: -719.401 where: short stacking energy: -354.170 Base-Backbone interact. energy: 3.041 local terms energy: -451.765785 where: bonds (distance) C4'-P energy: -94.511 bonds (distance) P-C4' energy: -112.357 flat angles C4'-P-C4' energy: -130.191 flat angles P-C4'-P energy: -71.966 tors. eta vs tors. theta energy: -42.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -957.430004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.430004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.430004 (E_RNA) where: Base-Base interactions energy: -543.351 where: short stacking energy: -266.880 Base-Backbone interact. energy: -1.338 local terms energy: -412.740799 where: bonds (distance) C4'-P energy: -106.412 bonds (distance) P-C4' energy: -118.814 flat angles C4'-P-C4' energy: -116.556 flat angles P-C4'-P energy: -46.846 tors. eta vs tors. theta energy: -24.113 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: 1 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -2668.220771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.220771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.220771 (E_RNA) where: Base-Base interactions energy: -1837.500 where: short stacking energy: -823.306 Base-Backbone interact. energy: -5.539 local terms energy: -825.182629 where: bonds (distance) C4'-P energy: -145.412 bonds (distance) P-C4' energy: -133.114 flat angles C4'-P-C4' energy: -175.254 flat angles P-C4'-P energy: -128.994 tors. eta vs tors. theta energy: -242.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -2516.705089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.705089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.705089 (E_RNA) where: Base-Base interactions energy: -1743.618 where: short stacking energy: -785.014 Base-Backbone interact. energy: -1.484 local terms energy: -771.603071 where: bonds (distance) C4'-P energy: -128.466 bonds (distance) P-C4' energy: -128.249 flat angles C4'-P-C4' energy: -164.010 flat angles P-C4'-P energy: -123.898 tors. eta vs tors. theta energy: -226.980 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: 488 Temperature: 1.000000 Total energy: -2342.393547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.393547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.393547 (E_RNA) where: Base-Base interactions energy: -1587.173 where: short stacking energy: -702.029 Base-Backbone interact. energy: 4.085 local terms energy: -759.305696 where: bonds (distance) C4'-P energy: -140.183 bonds (distance) P-C4' energy: -141.039 flat angles C4'-P-C4' energy: -158.533 flat angles P-C4'-P energy: -113.717 tors. eta vs tors. theta energy: -205.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2256.676336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.676336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.676336 (E_RNA) where: Base-Base interactions energy: -1552.066 where: short stacking energy: -652.359 Base-Backbone interact. energy: -2.569 local terms energy: -702.041561 where: bonds (distance) C4'-P energy: -125.460 bonds (distance) P-C4' energy: -143.346 flat angles C4'-P-C4' energy: -168.234 flat angles P-C4'-P energy: -100.645 tors. eta vs tors. theta energy: -164.357 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: 3 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2186.111583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.111583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.111583 (E_RNA) where: Base-Base interactions energy: -1499.574 where: short stacking energy: -611.559 Base-Backbone interact. energy: 1.384 local terms energy: -687.921631 where: bonds (distance) C4'-P energy: -135.036 bonds (distance) P-C4' energy: -131.066 flat angles C4'-P-C4' energy: -159.653 flat angles P-C4'-P energy: -89.432 tors. eta vs tors. theta energy: -172.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -2048.072656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.072656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.072656 (E_RNA) where: Base-Base interactions energy: -1392.559 where: short stacking energy: -609.909 Base-Backbone interact. energy: -0.731 local terms energy: -654.782158 where: bonds (distance) C4'-P energy: -133.914 bonds (distance) P-C4' energy: -136.796 flat angles C4'-P-C4' energy: -132.268 flat angles P-C4'-P energy: -94.020 tors. eta vs tors. theta energy: -157.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1903.771904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.771904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.771904 (E_RNA) where: Base-Base interactions energy: -1297.520 where: short stacking energy: -569.375 Base-Backbone interact. energy: 0.451 local terms energy: -606.702962 where: bonds (distance) C4'-P energy: -103.959 bonds (distance) P-C4' energy: -117.348 flat angles C4'-P-C4' energy: -155.413 flat angles P-C4'-P energy: -91.533 tors. eta vs tors. theta energy: -138.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1552.351045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.351045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.351045 (E_RNA) where: Base-Base interactions energy: -1016.356 where: short stacking energy: -429.664 Base-Backbone interact. energy: -2.082 local terms energy: -533.913069 where: bonds (distance) C4'-P energy: -107.371 bonds (distance) P-C4' energy: -128.604 flat angles C4'-P-C4' energy: -136.300 flat angles P-C4'-P energy: -76.940 tors. eta vs tors. theta energy: -84.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -1164.199491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.199491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.199491 (E_RNA) where: Base-Base interactions energy: -705.005 where: short stacking energy: -344.265 Base-Backbone interact. energy: -4.539 local terms energy: -454.655916 where: bonds (distance) C4'-P energy: -88.180 bonds (distance) P-C4' energy: -137.300 flat angles C4'-P-C4' energy: -110.920 flat angles P-C4'-P energy: -80.812 tors. eta vs tors. theta energy: -37.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -900.313327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.313327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.313327 (E_RNA) where: Base-Base interactions energy: -480.456 where: short stacking energy: -261.049 Base-Backbone interact. energy: 6.065 local terms energy: -425.922493 where: bonds (distance) C4'-P energy: -122.668 bonds (distance) P-C4' energy: -129.900 flat angles C4'-P-C4' energy: -107.802 flat angles P-C4'-P energy: -57.050 tors. eta vs tors. theta energy: -8.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -2657.715362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.715362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.715362 (E_RNA) where: Base-Base interactions energy: -1826.899 where: short stacking energy: -785.668 Base-Backbone interact. energy: -2.754 local terms energy: -828.061549 where: bonds (distance) C4'-P energy: -140.686 bonds (distance) P-C4' energy: -159.732 flat angles C4'-P-C4' energy: -180.140 flat angles P-C4'-P energy: -109.433 tors. eta vs tors. theta energy: -238.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2523.386476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.386476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.386476 (E_RNA) where: Base-Base interactions energy: -1731.391 where: short stacking energy: -773.340 Base-Backbone interact. energy: -3.380 local terms energy: -788.615475 where: bonds (distance) C4'-P energy: -126.981 bonds (distance) P-C4' energy: -144.137 flat angles C4'-P-C4' energy: -179.802 flat angles P-C4'-P energy: -116.987 tors. eta vs tors. theta energy: -220.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -2373.106157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.106157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.106157 (E_RNA) where: Base-Base interactions energy: -1613.344 where: short stacking energy: -699.877 Base-Backbone interact. energy: -4.660 local terms energy: -755.101682 where: bonds (distance) C4'-P energy: -153.334 bonds (distance) P-C4' energy: -147.841 flat angles C4'-P-C4' energy: -147.119 flat angles P-C4'-P energy: -106.606 tors. eta vs tors. theta energy: -200.201 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: 3 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2284.194577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.194577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.194577 (E_RNA) where: Base-Base interactions energy: -1597.442 where: short stacking energy: -670.284 Base-Backbone interact. energy: -0.017 local terms energy: -686.735873 where: bonds (distance) C4'-P energy: -119.022 bonds (distance) P-C4' energy: -146.701 flat angles C4'-P-C4' energy: -153.619 flat angles P-C4'-P energy: -89.572 tors. eta vs tors. theta energy: -177.822 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: 6 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2169.399778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.399778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.399778 (E_RNA) where: Base-Base interactions energy: -1477.149 where: short stacking energy: -617.367 Base-Backbone interact. energy: 0.094 local terms energy: -692.345431 where: bonds (distance) C4'-P energy: -126.192 bonds (distance) P-C4' energy: -140.734 flat angles C4'-P-C4' energy: -153.765 flat angles P-C4'-P energy: -108.187 tors. eta vs tors. theta energy: -163.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -2080.537573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.537573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.537573 (E_RNA) where: Base-Base interactions energy: -1382.125 where: short stacking energy: -617.173 Base-Backbone interact. energy: -0.712 local terms energy: -697.701008 where: bonds (distance) C4'-P energy: -132.733 bonds (distance) P-C4' energy: -135.482 flat angles C4'-P-C4' energy: -152.320 flat angles P-C4'-P energy: -96.116 tors. eta vs tors. theta energy: -181.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1862.210881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.210881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.210881 (E_RNA) where: Base-Base interactions energy: -1239.264 where: short stacking energy: -533.067 Base-Backbone interact. energy: 0.825 local terms energy: -623.771799 where: bonds (distance) C4'-P energy: -129.279 bonds (distance) P-C4' energy: -138.539 flat angles C4'-P-C4' energy: -135.689 flat angles P-C4'-P energy: -101.768 tors. eta vs tors. theta energy: -118.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1454.494082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.494082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.494082 (E_RNA) where: Base-Base interactions energy: -920.688 where: short stacking energy: -406.814 Base-Backbone interact. energy: -4.837 local terms energy: -528.969002 where: bonds (distance) C4'-P energy: -130.346 bonds (distance) P-C4' energy: -131.576 flat angles C4'-P-C4' energy: -120.015 flat angles P-C4'-P energy: -72.017 tors. eta vs tors. theta energy: -75.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -1176.775015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.775015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.775015 (E_RNA) where: Base-Base interactions energy: -734.051 where: short stacking energy: -337.788 Base-Backbone interact. energy: -0.198 local terms energy: -442.526011 where: bonds (distance) C4'-P energy: -113.453 bonds (distance) P-C4' energy: -125.291 flat angles C4'-P-C4' energy: -111.093 flat angles P-C4'-P energy: -64.349 tors. eta vs tors. theta energy: -28.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -887.521642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.521642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.521642 (E_RNA) where: Base-Base interactions energy: -464.412 where: short stacking energy: -273.385 Base-Backbone interact. energy: -3.237 local terms energy: -419.873479 where: bonds (distance) C4'-P energy: -109.537 bonds (distance) P-C4' energy: -117.349 flat angles C4'-P-C4' energy: -97.749 flat angles P-C4'-P energy: -75.260 tors. eta vs tors. theta energy: -19.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -2658.214198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.214198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.214198 (E_RNA) where: Base-Base interactions energy: -1839.404 where: short stacking energy: -810.967 Base-Backbone interact. energy: -2.260 local terms energy: -816.549783 where: bonds (distance) C4'-P energy: -137.867 bonds (distance) P-C4' energy: -150.531 flat angles C4'-P-C4' energy: -166.512 flat angles P-C4'-P energy: -119.511 tors. eta vs tors. theta energy: -242.129 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: 4 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -2480.330883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.330883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.330883 (E_RNA) where: Base-Base interactions energy: -1701.068 where: short stacking energy: -734.377 Base-Backbone interact. energy: -5.568 local terms energy: -773.694380 where: bonds (distance) C4'-P energy: -150.190 bonds (distance) P-C4' energy: -147.614 flat angles C4'-P-C4' energy: -170.610 flat angles P-C4'-P energy: -102.224 tors. eta vs tors. theta energy: -203.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2387.144446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.144446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.144446 (E_RNA) where: Base-Base interactions energy: -1630.633 where: short stacking energy: -732.083 Base-Backbone interact. energy: -4.161 local terms energy: -752.350129 where: bonds (distance) C4'-P energy: -129.359 bonds (distance) P-C4' energy: -136.269 flat angles C4'-P-C4' energy: -162.717 flat angles P-C4'-P energy: -112.327 tors. eta vs tors. theta energy: -211.678 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: 3 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2300.528837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.528837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.528837 (E_RNA) where: Base-Base interactions energy: -1599.052 where: short stacking energy: -702.138 Base-Backbone interact. energy: 0.527 local terms energy: -702.003797 where: bonds (distance) C4'-P energy: -133.316 bonds (distance) P-C4' energy: -129.394 flat angles C4'-P-C4' energy: -148.003 flat angles P-C4'-P energy: -98.779 tors. eta vs tors. theta energy: -192.511 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: 6 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -2225.692897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.692897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.692897 (E_RNA) where: Base-Base interactions energy: -1555.103 where: short stacking energy: -666.502 Base-Backbone interact. energy: 0.511 local terms energy: -671.100410 where: bonds (distance) C4'-P energy: -136.987 bonds (distance) P-C4' energy: -117.511 flat angles C4'-P-C4' energy: -142.803 flat angles P-C4'-P energy: -98.343 tors. eta vs tors. theta energy: -175.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -2069.747994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.747994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.747994 (E_RNA) where: Base-Base interactions energy: -1353.577 where: short stacking energy: -583.989 Base-Backbone interact. energy: -1.857 local terms energy: -714.314481 where: bonds (distance) C4'-P energy: -135.712 bonds (distance) P-C4' energy: -128.423 flat angles C4'-P-C4' energy: -162.706 flat angles P-C4'-P energy: -108.922 tors. eta vs tors. theta energy: -178.551 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: 9 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1923.186568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.186568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.186568 (E_RNA) where: Base-Base interactions energy: -1267.486 where: short stacking energy: -559.231 Base-Backbone interact. energy: 0.724 local terms energy: -656.424704 where: bonds (distance) C4'-P energy: -131.547 bonds (distance) P-C4' energy: -135.562 flat angles C4'-P-C4' energy: -150.241 flat angles P-C4'-P energy: -93.325 tors. eta vs tors. theta energy: -145.750 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: 8, replica: 10 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1474.768685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.768685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.768685 (E_RNA) where: Base-Base interactions energy: -953.386 where: short stacking energy: -438.148 Base-Backbone interact. energy: 0.231 local terms energy: -521.613756 where: bonds (distance) C4'-P energy: -131.043 bonds (distance) P-C4' energy: -117.244 flat angles C4'-P-C4' energy: -100.559 flat angles P-C4'-P energy: -84.767 tors. eta vs tors. theta energy: -88.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -1144.678241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.678241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.678241 (E_RNA) where: Base-Base interactions energy: -667.906 where: short stacking energy: -313.522 Base-Backbone interact. energy: 1.201 local terms energy: -477.973245 where: bonds (distance) C4'-P energy: -122.491 bonds (distance) P-C4' energy: -132.785 flat angles C4'-P-C4' energy: -121.569 flat angles P-C4'-P energy: -63.027 tors. eta vs tors. theta energy: -38.101 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: 2 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -893.240679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.240679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.240679 (E_RNA) where: Base-Base interactions energy: -490.685 where: short stacking energy: -258.474 Base-Backbone interact. energy: -3.289 local terms energy: -399.266188 where: bonds (distance) C4'-P energy: -102.668 bonds (distance) P-C4' energy: -116.472 flat angles C4'-P-C4' energy: -109.954 flat angles P-C4'-P energy: -58.826 tors. eta vs tors. theta energy: -11.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -2651.634648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.634648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.634648 (E_RNA) where: Base-Base interactions energy: -1846.482 where: short stacking energy: -805.143 Base-Backbone interact. energy: -2.415 local terms energy: -802.737275 where: bonds (distance) C4'-P energy: -131.438 bonds (distance) P-C4' energy: -154.474 flat angles C4'-P-C4' energy: -171.486 flat angles P-C4'-P energy: -109.911 tors. eta vs tors. theta energy: -235.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -2517.867396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.867396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.867396 (E_RNA) where: Base-Base interactions energy: -1759.436 where: short stacking energy: -760.965 Base-Backbone interact. energy: -7.669 local terms energy: -750.761890 where: bonds (distance) C4'-P energy: -127.987 bonds (distance) P-C4' energy: -128.413 flat angles C4'-P-C4' energy: -170.762 flat angles P-C4'-P energy: -115.977 tors. eta vs tors. theta energy: -207.623 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: 3, replica: 8 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -2363.869593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.869593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.869593 (E_RNA) where: Base-Base interactions energy: -1602.717 where: short stacking energy: -695.816 Base-Backbone interact. energy: 5.793 local terms energy: -766.945473 where: bonds (distance) C4'-P energy: -137.293 bonds (distance) P-C4' energy: -141.698 flat angles C4'-P-C4' energy: -168.625 flat angles P-C4'-P energy: -110.707 tors. eta vs tors. theta energy: -208.623 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: 3 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2320.200712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.200712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.200712 (E_RNA) where: Base-Base interactions energy: -1609.442 where: short stacking energy: -682.309 Base-Backbone interact. energy: 0.938 local terms energy: -711.695992 where: bonds (distance) C4'-P energy: -132.045 bonds (distance) P-C4' energy: -144.067 flat angles C4'-P-C4' energy: -159.694 flat angles P-C4'-P energy: -89.136 tors. eta vs tors. theta energy: -186.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -2213.130648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.130648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.130648 (E_RNA) where: Base-Base interactions energy: -1526.123 where: short stacking energy: -665.645 Base-Backbone interact. energy: -2.430 local terms energy: -684.577807 where: bonds (distance) C4'-P energy: -132.975 bonds (distance) P-C4' energy: -129.046 flat angles C4'-P-C4' energy: -159.554 flat angles P-C4'-P energy: -87.385 tors. eta vs tors. theta energy: -175.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -2029.906241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.906241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.906241 (E_RNA) where: Base-Base interactions energy: -1329.558 where: short stacking energy: -555.962 Base-Backbone interact. energy: 1.000 local terms energy: -701.348275 where: bonds (distance) C4'-P energy: -143.850 bonds (distance) P-C4' energy: -134.749 flat angles C4'-P-C4' energy: -159.401 flat angles P-C4'-P energy: -100.868 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: 7, replica: 9 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1862.364361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.364361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.364361 (E_RNA) where: Base-Base interactions energy: -1237.534 where: short stacking energy: -530.095 Base-Backbone interact. energy: -0.783 local terms energy: -624.047705 where: bonds (distance) C4'-P energy: -108.459 bonds (distance) P-C4' energy: -154.739 flat angles C4'-P-C4' energy: -143.745 flat angles P-C4'-P energy: -92.421 tors. eta vs tors. theta energy: -124.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -1436.288513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.288513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.288513 (E_RNA) where: Base-Base interactions energy: -924.258 where: short stacking energy: -386.268 Base-Backbone interact. energy: -2.795 local terms energy: -509.235375 where: bonds (distance) C4'-P energy: -132.329 bonds (distance) P-C4' energy: -133.206 flat angles C4'-P-C4' energy: -112.776 flat angles P-C4'-P energy: -64.632 tors. eta vs tors. theta energy: -66.292 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: 5 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -1054.361465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.361465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.361465 (E_RNA) where: Base-Base interactions energy: -617.487 where: short stacking energy: -300.868 Base-Backbone interact. energy: 4.013 local terms energy: -440.887866 where: bonds (distance) C4'-P energy: -111.063 bonds (distance) P-C4' energy: -127.655 flat angles C4'-P-C4' energy: -115.232 flat angles P-C4'-P energy: -69.132 tors. eta vs tors. theta energy: -17.806 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: 2 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -972.727045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.727045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.727045 (E_RNA) where: Base-Base interactions energy: -534.395 where: short stacking energy: -264.893 Base-Backbone interact. energy: 0.761 local terms energy: -439.092730 where: bonds (distance) C4'-P energy: -125.402 bonds (distance) P-C4' energy: -138.332 flat angles C4'-P-C4' energy: -90.086 flat angles P-C4'-P energy: -61.497 tors. eta vs tors. theta energy: -23.776 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: 1, replica: 1 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -2696.605969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.605969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.605969 (E_RNA) where: Base-Base interactions energy: -1866.283 where: short stacking energy: -810.269 Base-Backbone interact. energy: -2.866 local terms energy: -827.456445 where: bonds (distance) C4'-P energy: -159.337 bonds (distance) P-C4' energy: -151.645 flat angles C4'-P-C4' energy: -172.737 flat angles P-C4'-P energy: -98.114 tors. eta vs tors. theta energy: -245.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -2543.449160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.449160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.449160 (E_RNA) where: Base-Base interactions energy: -1755.312 where: short stacking energy: -758.096 Base-Backbone interact. energy: -7.448 local terms energy: -780.688818 where: bonds (distance) C4'-P energy: -131.374 bonds (distance) P-C4' energy: -151.271 flat angles C4'-P-C4' energy: -156.290 flat angles P-C4'-P energy: -120.295 tors. eta vs tors. theta energy: -221.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -2350.293841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.293841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.293841 (E_RNA) where: Base-Base interactions energy: -1626.061 where: short stacking energy: -685.035 Base-Backbone interact. energy: 2.826 local terms energy: -727.058934 where: bonds (distance) C4'-P energy: -135.427 bonds (distance) P-C4' energy: -124.963 flat angles C4'-P-C4' energy: -163.130 flat angles P-C4'-P energy: -109.703 tors. eta vs tors. theta energy: -193.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -2248.412643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.412643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.412643 (E_RNA) where: Base-Base interactions energy: -1589.618 where: short stacking energy: -673.457 Base-Backbone interact. energy: -0.728 local terms energy: -658.066775 where: bonds (distance) C4'-P energy: -125.640 bonds (distance) P-C4' energy: -135.514 flat angles C4'-P-C4' energy: -134.388 flat angles P-C4'-P energy: -84.608 tors. eta vs tors. theta energy: -177.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -2189.907753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.907753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.907753 (E_RNA) where: Base-Base interactions energy: -1491.212 where: short stacking energy: -639.122 Base-Backbone interact. energy: -2.727 local terms energy: -695.969057 where: bonds (distance) C4'-P energy: -135.262 bonds (distance) P-C4' energy: -126.691 flat angles C4'-P-C4' energy: -156.833 flat angles P-C4'-P energy: -96.342 tors. eta vs tors. theta energy: -180.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -2011.459802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.459802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.459802 (E_RNA) where: Base-Base interactions energy: -1317.108 where: short stacking energy: -537.197 Base-Backbone interact. energy: -3.047 local terms energy: -691.304673 where: bonds (distance) C4'-P energy: -118.688 bonds (distance) P-C4' energy: -146.641 flat angles C4'-P-C4' energy: -159.809 flat angles P-C4'-P energy: -106.736 tors. eta vs tors. theta energy: -159.431 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: 9 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1829.894595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.894595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.894595 (E_RNA) where: Base-Base interactions energy: -1226.145 where: short stacking energy: -549.578 Base-Backbone interact. energy: -0.241 local terms energy: -603.508447 where: bonds (distance) C4'-P energy: -132.010 bonds (distance) P-C4' energy: -118.327 flat angles C4'-P-C4' energy: -125.506 flat angles P-C4'-P energy: -80.840 tors. eta vs tors. theta energy: -146.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1504.630479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.630479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.630479 (E_RNA) where: Base-Base interactions energy: -967.380 where: short stacking energy: -430.635 Base-Backbone interact. energy: 2.569 local terms energy: -539.819832 where: bonds (distance) C4'-P energy: -127.794 bonds (distance) P-C4' energy: -134.654 flat angles C4'-P-C4' energy: -113.764 flat angles P-C4'-P energy: -76.245 tors. eta vs tors. theta energy: -87.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -1077.906848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.906848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.906848 (E_RNA) where: Base-Base interactions energy: -657.907 where: short stacking energy: -309.431 Base-Backbone interact. energy: 9.846 local terms energy: -429.845049 where: bonds (distance) C4'-P energy: -118.979 bonds (distance) P-C4' energy: -114.934 flat angles C4'-P-C4' energy: -103.804 flat angles P-C4'-P energy: -76.211 tors. eta vs tors. theta energy: -15.918 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: 2 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -938.918725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.918725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.918725 (E_RNA) where: Base-Base interactions energy: -504.297 where: short stacking energy: -261.292 Base-Backbone interact. energy: -1.055 local terms energy: -433.567342 where: bonds (distance) C4'-P energy: -103.476 bonds (distance) P-C4' energy: -131.832 flat angles C4'-P-C4' energy: -109.282 flat angles P-C4'-P energy: -72.355 tors. eta vs tors. theta energy: -16.622 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: 1 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -2687.507964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.507964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.507964 (E_RNA) where: Base-Base interactions energy: -1850.775 where: short stacking energy: -803.439 Base-Backbone interact. energy: -1.493 local terms energy: -835.240531 where: bonds (distance) C4'-P energy: -152.145 bonds (distance) P-C4' energy: -144.249 flat angles C4'-P-C4' energy: -173.407 flat angles P-C4'-P energy: -128.397 tors. eta vs tors. theta energy: -237.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -2578.562648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.562648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.562648 (E_RNA) where: Base-Base interactions energy: -1764.833 where: short stacking energy: -762.429 Base-Backbone interact. energy: -0.930 local terms energy: -812.799841 where: bonds (distance) C4'-P energy: -142.527 bonds (distance) P-C4' energy: -160.141 flat angles C4'-P-C4' energy: -169.194 flat angles P-C4'-P energy: -107.742 tors. eta vs tors. theta energy: -233.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -2365.274548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.274548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.274548 (E_RNA) where: Base-Base interactions energy: -1611.696 where: short stacking energy: -699.150 Base-Backbone interact. energy: -4.637 local terms energy: -748.941313 where: bonds (distance) C4'-P energy: -130.394 bonds (distance) P-C4' energy: -137.477 flat angles C4'-P-C4' energy: -175.260 flat angles P-C4'-P energy: -109.538 tors. eta vs tors. theta energy: -196.272 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: 8 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -2222.958929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.958929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.958929 (E_RNA) where: Base-Base interactions energy: -1544.239 where: short stacking energy: -652.945 Base-Backbone interact. energy: -4.725 local terms energy: -673.994657 where: bonds (distance) C4'-P energy: -109.492 bonds (distance) P-C4' energy: -126.253 flat angles C4'-P-C4' energy: -157.253 flat angles P-C4'-P energy: -101.760 tors. eta vs tors. theta energy: -179.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -2166.522791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.522791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.522791 (E_RNA) where: Base-Base interactions energy: -1503.316 where: short stacking energy: -632.811 Base-Backbone interact. energy: -3.211 local terms energy: -659.995215 where: bonds (distance) C4'-P energy: -112.186 bonds (distance) P-C4' energy: -131.167 flat angles C4'-P-C4' energy: -154.628 flat angles P-C4'-P energy: -96.325 tors. eta vs tors. theta energy: -165.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -2044.448362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.448362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.448362 (E_RNA) where: Base-Base interactions energy: -1403.530 where: short stacking energy: -614.025 Base-Backbone interact. energy: -0.080 local terms energy: -640.838006 where: bonds (distance) C4'-P energy: -122.598 bonds (distance) P-C4' energy: -127.649 flat angles C4'-P-C4' energy: -143.026 flat angles P-C4'-P energy: -81.786 tors. eta vs tors. theta energy: -165.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1889.093819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.093819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.093819 (E_RNA) where: Base-Base interactions energy: -1267.718 where: short stacking energy: -546.946 Base-Backbone interact. energy: -1.025 local terms energy: -620.350869 where: bonds (distance) C4'-P energy: -117.534 bonds (distance) P-C4' energy: -133.615 flat angles C4'-P-C4' energy: -137.203 flat angles P-C4'-P energy: -92.539 tors. eta vs tors. theta energy: -139.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1514.889482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.889482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.889482 (E_RNA) where: Base-Base interactions energy: -995.782 where: short stacking energy: -449.717 Base-Backbone interact. energy: -1.231 local terms energy: -517.875877 where: bonds (distance) C4'-P energy: -119.995 bonds (distance) P-C4' energy: -111.835 flat angles C4'-P-C4' energy: -105.770 flat angles P-C4'-P energy: -84.814 tors. eta vs tors. theta energy: -95.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -1096.470840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.470840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.470840 (E_RNA) where: Base-Base interactions energy: -654.915 where: short stacking energy: -336.493 Base-Backbone interact. energy: -1.530 local terms energy: -440.025576 where: bonds (distance) C4'-P energy: -106.875 bonds (distance) P-C4' energy: -109.175 flat angles C4'-P-C4' energy: -121.788 flat angles P-C4'-P energy: -72.200 tors. eta vs tors. theta energy: -29.988 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: 2 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -972.247650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.247650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.247650 (E_RNA) where: Base-Base interactions energy: -565.542 where: short stacking energy: -302.952 Base-Backbone interact. energy: 1.357 local terms energy: -408.062191 where: bonds (distance) C4'-P energy: -103.075 bonds (distance) P-C4' energy: -120.747 flat angles C4'-P-C4' energy: -103.348 flat angles P-C4'-P energy: -60.366 tors. eta vs tors. theta energy: -20.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -2666.408627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.408627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.408627 (E_RNA) where: Base-Base interactions energy: -1839.139 where: short stacking energy: -779.598 Base-Backbone interact. energy: 1.768 local terms energy: -829.037698 where: bonds (distance) C4'-P energy: -142.934 bonds (distance) P-C4' energy: -174.188 flat angles C4'-P-C4' energy: -166.754 flat angles P-C4'-P energy: -109.486 tors. eta vs tors. theta energy: -235.676 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: 4 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -2571.976183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.976183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.976183 (E_RNA) where: Base-Base interactions energy: -1782.040 where: short stacking energy: -780.754 Base-Backbone interact. energy: -3.661 local terms energy: -786.275103 where: bonds (distance) C4'-P energy: -142.088 bonds (distance) P-C4' energy: -157.878 flat angles C4'-P-C4' energy: -167.471 flat angles P-C4'-P energy: -107.537 tors. eta vs tors. theta energy: -211.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -2369.733671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.733671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.733671 (E_RNA) where: Base-Base interactions energy: -1625.383 where: short stacking energy: -671.035 Base-Backbone interact. energy: -5.380 local terms energy: -738.970752 where: bonds (distance) C4'-P energy: -115.544 bonds (distance) P-C4' energy: -158.166 flat angles C4'-P-C4' energy: -149.196 flat angles P-C4'-P energy: -111.200 tors. eta vs tors. theta energy: -204.866 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: 8 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -2243.797808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.797808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.797808 (E_RNA) where: Base-Base interactions energy: -1578.450 where: short stacking energy: -664.737 Base-Backbone interact. energy: -4.971 local terms energy: -660.376311 where: bonds (distance) C4'-P energy: -107.663 bonds (distance) P-C4' energy: -127.538 flat angles C4'-P-C4' energy: -145.707 flat angles P-C4'-P energy: -98.107 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: 5, replica: 6 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -2144.430597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.430597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.430597 (E_RNA) where: Base-Base interactions energy: -1453.504 where: short stacking energy: -640.094 Base-Backbone interact. energy: -4.011 local terms energy: -686.915779 where: bonds (distance) C4'-P energy: -139.702 bonds (distance) P-C4' energy: -122.911 flat angles C4'-P-C4' energy: -146.352 flat angles P-C4'-P energy: -97.640 tors. eta vs tors. theta energy: -180.311 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: 494 Temperature: 1.150000 Total energy: -2053.288376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.288376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.288376 (E_RNA) where: Base-Base interactions energy: -1380.063 where: short stacking energy: -580.067 Base-Backbone interact. energy: -1.913 local terms energy: -671.311748 where: bonds (distance) C4'-P energy: -147.230 bonds (distance) P-C4' energy: -134.344 flat angles C4'-P-C4' energy: -139.960 flat angles P-C4'-P energy: -92.912 tors. eta vs tors. theta energy: -156.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -1857.208416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.208416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.208416 (E_RNA) where: Base-Base interactions energy: -1254.669 where: short stacking energy: -535.310 Base-Backbone interact. energy: 1.055 local terms energy: -603.594733 where: bonds (distance) C4'-P energy: -102.517 bonds (distance) P-C4' energy: -116.652 flat angles C4'-P-C4' energy: -147.593 flat angles P-C4'-P energy: -88.057 tors. eta vs tors. theta energy: -148.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -1547.964405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.964405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.964405 (E_RNA) where: Base-Base interactions energy: -1029.696 where: short stacking energy: -432.163 Base-Backbone interact. energy: 2.153 local terms energy: -520.421760 where: bonds (distance) C4'-P energy: -100.229 bonds (distance) P-C4' energy: -111.807 flat angles C4'-P-C4' energy: -140.265 flat angles P-C4'-P energy: -73.653 tors. eta vs tors. theta energy: -94.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -1149.403008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.403008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.403008 (E_RNA) where: Base-Base interactions energy: -702.217 where: short stacking energy: -345.573 Base-Backbone interact. energy: -0.675 local terms energy: -446.511043 where: bonds (distance) C4'-P energy: -116.690 bonds (distance) P-C4' energy: -96.609 flat angles C4'-P-C4' energy: -131.339 flat angles P-C4'-P energy: -71.099 tors. eta vs tors. theta energy: -30.774 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: 2 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -945.739836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.739836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.739836 (E_RNA) where: Base-Base interactions energy: -565.160 where: short stacking energy: -290.296 Base-Backbone interact. energy: -0.845 local terms energy: -379.734773 where: bonds (distance) C4'-P energy: -86.017 bonds (distance) P-C4' energy: -121.935 flat angles C4'-P-C4' energy: -101.038 flat angles P-C4'-P energy: -62.073 tors. eta vs tors. theta energy: -8.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -2651.071419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.071419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.071419 (E_RNA) where: Base-Base interactions energy: -1825.089 where: short stacking energy: -780.806 Base-Backbone interact. energy: -3.347 local terms energy: -822.634914 where: bonds (distance) C4'-P energy: -150.152 bonds (distance) P-C4' energy: -152.726 flat angles C4'-P-C4' energy: -176.529 flat angles P-C4'-P energy: -119.970 tors. eta vs tors. theta energy: -223.258 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: 2, replica: 4 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -2562.202558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.202558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.202558 (E_RNA) where: Base-Base interactions energy: -1778.716 where: short stacking energy: -765.670 Base-Backbone interact. energy: 0.241 local terms energy: -783.727917 where: bonds (distance) C4'-P energy: -148.882 bonds (distance) P-C4' energy: -145.322 flat angles C4'-P-C4' energy: -169.778 flat angles P-C4'-P energy: -102.668 tors. eta vs tors. theta energy: -217.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -2323.721861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.721861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.721861 (E_RNA) where: Base-Base interactions energy: -1585.662 where: short stacking energy: -676.571 Base-Backbone interact. energy: -3.675 local terms energy: -734.384981 where: bonds (distance) C4'-P energy: -131.121 bonds (distance) P-C4' energy: -151.180 flat angles C4'-P-C4' energy: -151.464 flat angles P-C4'-P energy: -110.863 tors. eta vs tors. theta energy: -189.757 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: 8 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -2211.636875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.636875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.636875 (E_RNA) where: Base-Base interactions energy: -1514.178 where: short stacking energy: -661.572 Base-Backbone interact. energy: -1.488 local terms energy: -695.970779 where: bonds (distance) C4'-P energy: -140.214 bonds (distance) P-C4' energy: -122.101 flat angles C4'-P-C4' energy: -155.601 flat angles P-C4'-P energy: -78.895 tors. eta vs tors. theta energy: -199.159 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: 6 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -2148.907622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.907622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.907622 (E_RNA) where: Base-Base interactions energy: -1465.166 where: short stacking energy: -613.496 Base-Backbone interact. energy: -4.309 local terms energy: -679.431843 where: bonds (distance) C4'-P energy: -121.561 bonds (distance) P-C4' energy: -132.318 flat angles C4'-P-C4' energy: -154.034 flat angles P-C4'-P energy: -109.317 tors. eta vs tors. theta energy: -162.203 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: 7 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -2058.618664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.618664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.618664 (E_RNA) where: Base-Base interactions energy: -1396.330 where: short stacking energy: -618.401 Base-Backbone interact. energy: 1.609 local terms energy: -663.898029 where: bonds (distance) C4'-P energy: -136.950 bonds (distance) P-C4' energy: -133.899 flat angles C4'-P-C4' energy: -139.856 flat angles P-C4'-P energy: -82.971 tors. eta vs tors. theta energy: -170.222 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: 9 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -1914.474208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.474208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.474208 (E_RNA) where: Base-Base interactions energy: -1285.171 where: short stacking energy: -548.518 Base-Backbone interact. energy: -2.900 local terms energy: -626.402682 where: bonds (distance) C4'-P energy: -134.489 bonds (distance) P-C4' energy: -114.620 flat angles C4'-P-C4' energy: -139.416 flat angles P-C4'-P energy: -85.520 tors. eta vs tors. theta energy: -152.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -1661.863122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.863122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.863122 (E_RNA) where: Base-Base interactions energy: -1088.335 where: short stacking energy: -474.493 Base-Backbone interact. energy: -1.965 local terms energy: -571.563444 where: bonds (distance) C4'-P energy: -122.931 bonds (distance) P-C4' energy: -128.979 flat angles C4'-P-C4' energy: -135.202 flat angles P-C4'-P energy: -68.962 tors. eta vs tors. theta energy: -115.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -1149.475611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.475611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.475611 (E_RNA) where: Base-Base interactions energy: -683.075 where: short stacking energy: -331.610 Base-Backbone interact. energy: 0.516 local terms energy: -466.916541 where: bonds (distance) C4'-P energy: -121.453 bonds (distance) P-C4' energy: -113.141 flat angles C4'-P-C4' energy: -129.970 flat angles P-C4'-P energy: -62.328 tors. eta vs tors. theta energy: -40.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -1001.346848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.346848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.346848 (E_RNA) where: Base-Base interactions energy: -559.556 where: short stacking energy: -304.235 Base-Backbone interact. energy: -1.294 local terms energy: -440.496966 where: bonds (distance) C4'-P energy: -129.332 bonds (distance) P-C4' energy: -115.424 flat angles C4'-P-C4' energy: -100.062 flat angles P-C4'-P energy: -63.188 tors. eta vs tors. theta energy: -32.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -2601.343828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.343828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.343828 (E_RNA) where: Base-Base interactions energy: -1798.572 where: short stacking energy: -762.303 Base-Backbone interact. energy: 1.140 local terms energy: -803.911963 where: bonds (distance) C4'-P energy: -146.529 bonds (distance) P-C4' energy: -157.759 flat angles C4'-P-C4' energy: -170.065 flat angles P-C4'-P energy: -106.450 tors. eta vs tors. theta energy: -223.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -2624.538465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.538465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.538465 (E_RNA) where: Base-Base interactions energy: -1803.468 where: short stacking energy: -796.462 Base-Backbone interact. energy: -1.344 local terms energy: -819.726893 where: bonds (distance) C4'-P energy: -146.419 bonds (distance) P-C4' energy: -153.124 flat angles C4'-P-C4' energy: -174.246 flat angles P-C4'-P energy: -108.742 tors. eta vs tors. theta energy: -237.196 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: 3 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -2364.306304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.306304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.306304 (E_RNA) where: Base-Base interactions energy: -1618.245 where: short stacking energy: -705.087 Base-Backbone interact. energy: 2.193 local terms energy: -748.254361 where: bonds (distance) C4'-P energy: -132.380 bonds (distance) P-C4' energy: -139.968 flat angles C4'-P-C4' energy: -169.638 flat angles P-C4'-P energy: -109.735 tors. eta vs tors. theta energy: -196.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -2276.044428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.044428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.044428 (E_RNA) where: Base-Base interactions energy: -1559.733 where: short stacking energy: -637.697 Base-Backbone interact. energy: -5.476 local terms energy: -710.835533 where: bonds (distance) C4'-P energy: -137.794 bonds (distance) P-C4' energy: -119.394 flat angles C4'-P-C4' energy: -174.071 flat angles P-C4'-P energy: -104.424 tors. eta vs tors. theta energy: -175.153 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: 6 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -2164.723560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.723560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.723560 (E_RNA) where: Base-Base interactions energy: -1501.051 where: short stacking energy: -650.424 Base-Backbone interact. energy: -2.245 local terms energy: -661.427743 where: bonds (distance) C4'-P energy: -130.712 bonds (distance) P-C4' energy: -119.918 flat angles C4'-P-C4' energy: -140.604 flat angles P-C4'-P energy: -99.082 tors. eta vs tors. theta energy: -171.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -2046.776775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.776775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.776775 (E_RNA) where: Base-Base interactions energy: -1383.278 where: short stacking energy: -598.784 Base-Backbone interact. energy: -3.664 local terms energy: -659.835238 where: bonds (distance) C4'-P energy: -123.159 bonds (distance) P-C4' energy: -131.672 flat angles C4'-P-C4' energy: -161.339 flat angles P-C4'-P energy: -86.176 tors. eta vs tors. theta energy: -157.489 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: 9 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -1917.989599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.989599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.989599 (E_RNA) where: Base-Base interactions energy: -1292.829 where: short stacking energy: -549.438 Base-Backbone interact. energy: -2.832 local terms energy: -622.328459 where: bonds (distance) C4'-P energy: -121.163 bonds (distance) P-C4' energy: -134.306 flat angles C4'-P-C4' energy: -140.823 flat angles P-C4'-P energy: -85.486 tors. eta vs tors. theta energy: -140.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -1594.089087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.089087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.089087 (E_RNA) where: Base-Base interactions energy: -1071.565 where: short stacking energy: -465.640 Base-Backbone interact. energy: -2.184 local terms energy: -520.340205 where: bonds (distance) C4'-P energy: -117.223 bonds (distance) P-C4' energy: -110.593 flat angles C4'-P-C4' energy: -123.853 flat angles P-C4'-P energy: -65.418 tors. eta vs tors. theta energy: -103.253 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: 5 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -1126.162740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.162740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.162740 (E_RNA) where: Base-Base interactions energy: -674.793 where: short stacking energy: -309.098 Base-Backbone interact. energy: 0.981 local terms energy: -452.350759 where: bonds (distance) C4'-P energy: -121.425 bonds (distance) P-C4' energy: -139.737 flat angles C4'-P-C4' energy: -106.247 flat angles P-C4'-P energy: -31.111 tors. eta vs tors. theta energy: -53.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -1012.045521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.045521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.045521 (E_RNA) where: Base-Base interactions energy: -612.238 where: short stacking energy: -300.640 Base-Backbone interact. energy: 0.692 local terms energy: -400.499455 where: bonds (distance) C4'-P energy: -99.455 bonds (distance) P-C4' energy: -118.770 flat angles C4'-P-C4' energy: -97.005 flat angles P-C4'-P energy: -51.752 tors. eta vs tors. theta energy: -33.517 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: 4 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -2635.625835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.625835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.625835 (E_RNA) where: Base-Base interactions energy: -1837.796 where: short stacking energy: -795.393 Base-Backbone interact. energy: 1.831 local terms energy: -799.660351 where: bonds (distance) C4'-P energy: -142.150 bonds (distance) P-C4' energy: -138.957 flat angles C4'-P-C4' energy: -168.354 flat angles P-C4'-P energy: -119.327 tors. eta vs tors. theta energy: -230.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -2617.090035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.090035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.090035 (E_RNA) where: Base-Base interactions energy: -1798.593 where: short stacking energy: -773.720 Base-Backbone interact. energy: -0.099 local terms energy: -818.398338 where: bonds (distance) C4'-P energy: -135.591 bonds (distance) P-C4' energy: -160.300 flat angles C4'-P-C4' energy: -180.322 flat angles P-C4'-P energy: -107.923 tors. eta vs tors. theta energy: -234.261 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: 497 Temperature: 1.000000 Total energy: -2352.769898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.769898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.769898 (E_RNA) where: Base-Base interactions energy: -1608.072 where: short stacking energy: -712.401 Base-Backbone interact. energy: -4.836 local terms energy: -739.862303 where: bonds (distance) C4'-P energy: -135.670 bonds (distance) P-C4' energy: -134.625 flat angles C4'-P-C4' energy: -163.555 flat angles P-C4'-P energy: -107.768 tors. eta vs tors. theta energy: -198.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -2291.557823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.557823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.557823 (E_RNA) where: Base-Base interactions energy: -1550.382 where: short stacking energy: -698.832 Base-Backbone interact. energy: 1.032 local terms energy: -742.208364 where: bonds (distance) C4'-P energy: -144.503 bonds (distance) P-C4' energy: -143.397 flat angles C4'-P-C4' energy: -155.176 flat angles P-C4'-P energy: -96.035 tors. eta vs tors. theta energy: -203.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -2168.089708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.089708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.089708 (E_RNA) where: Base-Base interactions energy: -1474.561 where: short stacking energy: -657.450 Base-Backbone interact. energy: 0.288 local terms energy: -693.816832 where: bonds (distance) C4'-P energy: -145.871 bonds (distance) P-C4' energy: -129.350 flat angles C4'-P-C4' energy: -142.207 flat angles P-C4'-P energy: -91.794 tors. eta vs tors. theta energy: -184.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -2077.976473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.976473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.976473 (E_RNA) where: Base-Base interactions energy: -1414.446 where: short stacking energy: -624.074 Base-Backbone interact. energy: -4.909 local terms energy: -658.621705 where: bonds (distance) C4'-P energy: -127.519 bonds (distance) P-C4' energy: -120.383 flat angles C4'-P-C4' energy: -152.805 flat angles P-C4'-P energy: -86.286 tors. eta vs tors. theta energy: -171.629 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: 9 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -1924.513872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.513872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.513872 (E_RNA) where: Base-Base interactions energy: -1278.423 where: short stacking energy: -568.250 Base-Backbone interact. energy: 0.108 local terms energy: -646.198795 where: bonds (distance) C4'-P energy: -122.222 bonds (distance) P-C4' energy: -128.236 flat angles C4'-P-C4' energy: -147.822 flat angles P-C4'-P energy: -82.364 tors. eta vs tors. theta energy: -165.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -1567.633075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.633075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.633075 (E_RNA) where: Base-Base interactions energy: -1006.238 where: short stacking energy: -442.505 Base-Backbone interact. energy: 6.038 local terms energy: -567.432879 where: bonds (distance) C4'-P energy: -120.866 bonds (distance) P-C4' energy: -137.349 flat angles C4'-P-C4' energy: -127.054 flat angles P-C4'-P energy: -84.428 tors. eta vs tors. theta energy: -97.736 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: 5 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -1139.897292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.897292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.897292 (E_RNA) where: Base-Base interactions energy: -687.872 where: short stacking energy: -324.960 Base-Backbone interact. energy: 5.481 local terms energy: -457.505892 where: bonds (distance) C4'-P energy: -120.771 bonds (distance) P-C4' energy: -125.045 flat angles C4'-P-C4' energy: -99.253 flat angles P-C4'-P energy: -78.471 tors. eta vs tors. theta energy: -33.966 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: 2 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -952.836462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.836462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.836462 (E_RNA) where: Base-Base interactions energy: -501.254 where: short stacking energy: -255.014 Base-Backbone interact. energy: 0.590 local terms energy: -452.172525 where: bonds (distance) C4'-P energy: -109.993 bonds (distance) P-C4' energy: -117.235 flat angles C4'-P-C4' energy: -119.485 flat angles P-C4'-P energy: -81.777 tors. eta vs tors. theta energy: -23.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -2644.089971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.089971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.089971 (E_RNA) where: Base-Base interactions energy: -1825.560 where: short stacking energy: -792.280 Base-Backbone interact. energy: 0.480 local terms energy: -819.009499 where: bonds (distance) C4'-P energy: -138.469 bonds (distance) P-C4' energy: -145.533 flat angles C4'-P-C4' energy: -174.905 flat angles P-C4'-P energy: -120.950 tors. eta vs tors. theta energy: -239.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -2590.413090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.413090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.413090 (E_RNA) where: Base-Base interactions energy: -1825.355 where: short stacking energy: -770.149 Base-Backbone interact. energy: -2.560 local terms energy: -762.498507 where: bonds (distance) C4'-P energy: -143.974 bonds (distance) P-C4' energy: -129.588 flat angles C4'-P-C4' energy: -172.008 flat angles P-C4'-P energy: -96.780 tors. eta vs tors. theta energy: -220.149 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: 3 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -2371.609454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.609454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.609454 (E_RNA) where: Base-Base interactions energy: -1649.682 where: short stacking energy: -695.145 Base-Backbone interact. energy: -2.156 local terms energy: -719.771805 where: bonds (distance) C4'-P energy: -125.021 bonds (distance) P-C4' energy: -132.131 flat angles C4'-P-C4' energy: -162.030 flat angles P-C4'-P energy: -102.935 tors. eta vs tors. theta energy: -197.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -2240.275207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.275207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.275207 (E_RNA) where: Base-Base interactions energy: -1532.619 where: short stacking energy: -679.539 Base-Backbone interact. energy: -2.015 local terms energy: -705.641199 where: bonds (distance) C4'-P energy: -124.108 bonds (distance) P-C4' energy: -121.382 flat angles C4'-P-C4' energy: -162.920 flat angles P-C4'-P energy: -99.488 tors. eta vs tors. theta energy: -197.744 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: 6 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -2187.066186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.066186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.066186 (E_RNA) where: Base-Base interactions energy: -1481.633 where: short stacking energy: -623.903 Base-Backbone interact. energy: -4.965 local terms energy: -700.467610 where: bonds (distance) C4'-P energy: -129.629 bonds (distance) P-C4' energy: -137.010 flat angles C4'-P-C4' energy: -153.358 flat angles P-C4'-P energy: -107.430 tors. eta vs tors. theta energy: -173.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -2037.770075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.770075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.770075 (E_RNA) where: Base-Base interactions energy: -1379.988 where: short stacking energy: -588.032 Base-Backbone interact. energy: 4.572 local terms energy: -662.354616 where: bonds (distance) C4'-P energy: -135.005 bonds (distance) P-C4' energy: -117.963 flat angles C4'-P-C4' energy: -146.163 flat angles P-C4'-P energy: -84.173 tors. eta vs tors. theta energy: -179.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -1908.168065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.168065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.168065 (E_RNA) where: Base-Base interactions energy: -1293.829 where: short stacking energy: -568.968 Base-Backbone interact. energy: -1.841 local terms energy: -612.497955 where: bonds (distance) C4'-P energy: -116.574 bonds (distance) P-C4' energy: -109.648 flat angles C4'-P-C4' energy: -142.716 flat angles P-C4'-P energy: -91.188 tors. eta vs tors. theta energy: -152.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -1586.292010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.292010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.292010 (E_RNA) where: Base-Base interactions energy: -1011.166 where: short stacking energy: -449.368 Base-Backbone interact. energy: -1.892 local terms energy: -573.234256 where: bonds (distance) C4'-P energy: -110.060 bonds (distance) P-C4' energy: -136.420 flat angles C4'-P-C4' energy: -135.649 flat angles P-C4'-P energy: -92.882 tors. eta vs tors. theta energy: -98.223 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: 5 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -1168.345610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.345610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.345610 (E_RNA) where: Base-Base interactions energy: -721.842 where: short stacking energy: -339.138 Base-Backbone interact. energy: -0.025 local terms energy: -446.478878 where: bonds (distance) C4'-P energy: -104.897 bonds (distance) P-C4' energy: -126.405 flat angles C4'-P-C4' energy: -115.630 flat angles P-C4'-P energy: -69.995 tors. eta vs tors. theta energy: -29.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -968.503430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.503430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.503430 (E_RNA) where: Base-Base interactions energy: -507.373 where: short stacking energy: -278.799 Base-Backbone interact. energy: -3.329 local terms energy: -457.801224 where: bonds (distance) C4'-P energy: -134.465 bonds (distance) P-C4' energy: -133.197 flat angles C4'-P-C4' energy: -106.230 flat angles P-C4'-P energy: -50.861 tors. eta vs tors. theta energy: -33.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -2634.166520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.166520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.166520 (E_RNA) where: Base-Base interactions energy: -1831.753 where: short stacking energy: -784.392 Base-Backbone interact. energy: -1.584 local terms energy: -800.829455 where: bonds (distance) C4'-P energy: -145.829 bonds (distance) P-C4' energy: -154.137 flat angles C4'-P-C4' energy: -167.586 flat angles P-C4'-P energy: -102.097 tors. eta vs tors. theta energy: -231.181 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: 4 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -2565.990034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.990034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.990034 (E_RNA) where: Base-Base interactions energy: -1758.737 where: short stacking energy: -758.467 Base-Backbone interact. energy: -2.337 local terms energy: -804.916082 where: bonds (distance) C4'-P energy: -155.614 bonds (distance) P-C4' energy: -139.589 flat angles C4'-P-C4' energy: -174.451 flat angles P-C4'-P energy: -116.578 tors. eta vs tors. theta energy: -218.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -2335.818331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.818331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.818331 (E_RNA) where: Base-Base interactions energy: -1593.550 where: short stacking energy: -688.104 Base-Backbone interact. energy: 3.767 local terms energy: -746.035240 where: bonds (distance) C4'-P energy: -128.567 bonds (distance) P-C4' energy: -137.798 flat angles C4'-P-C4' energy: -169.929 flat angles P-C4'-P energy: -104.174 tors. eta vs tors. theta energy: -205.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -2247.221231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.221231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.221231 (E_RNA) where: Base-Base interactions energy: -1516.362 where: short stacking energy: -672.795 Base-Backbone interact. energy: -2.168 local terms energy: -728.691712 where: bonds (distance) C4'-P energy: -134.870 bonds (distance) P-C4' energy: -144.185 flat angles C4'-P-C4' energy: -155.984 flat angles P-C4'-P energy: -96.683 tors. eta vs tors. theta energy: -196.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -2197.993896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.993896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.993896 (E_RNA) where: Base-Base interactions energy: -1486.396 where: short stacking energy: -645.226 Base-Backbone interact. energy: -0.459 local terms energy: -711.138868 where: bonds (distance) C4'-P energy: -132.167 bonds (distance) P-C4' energy: -150.230 flat angles C4'-P-C4' energy: -164.221 flat angles P-C4'-P energy: -96.125 tors. eta vs tors. theta energy: -168.395 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: 7 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -2031.104993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.104993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.104993 (E_RNA) where: Base-Base interactions energy: -1393.878 where: short stacking energy: -613.591 Base-Backbone interact. energy: 1.485 local terms energy: -638.712930 where: bonds (distance) C4'-P energy: -101.927 bonds (distance) P-C4' energy: -123.173 flat angles C4'-P-C4' energy: -130.163 flat angles P-C4'-P energy: -113.322 tors. eta vs tors. theta energy: -170.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -1925.217530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.217530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.217530 (E_RNA) where: Base-Base interactions energy: -1294.230 where: short stacking energy: -611.738 Base-Backbone interact. energy: 3.114 local terms energy: -634.101994 where: bonds (distance) C4'-P energy: -128.091 bonds (distance) P-C4' energy: -116.670 flat angles C4'-P-C4' energy: -148.946 flat angles P-C4'-P energy: -99.055 tors. eta vs tors. theta energy: -141.340 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: 10 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -1596.733302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.733302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.733302 (E_RNA) where: Base-Base interactions energy: -1057.739 where: short stacking energy: -462.331 Base-Backbone interact. energy: 2.859 local terms energy: -541.853608 where: bonds (distance) C4'-P energy: -101.397 bonds (distance) P-C4' energy: -118.082 flat angles C4'-P-C4' energy: -145.093 flat angles P-C4'-P energy: -76.269 tors. eta vs tors. theta energy: -101.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -1157.038947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.038947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.038947 (E_RNA) where: Base-Base interactions energy: -728.460 where: short stacking energy: -360.241 Base-Backbone interact. energy: 1.153 local terms energy: -429.732586 where: bonds (distance) C4'-P energy: -113.506 bonds (distance) P-C4' energy: -117.724 flat angles C4'-P-C4' energy: -107.732 flat angles P-C4'-P energy: -51.999 tors. eta vs tors. theta energy: -38.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -928.644652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.644652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.644652 (E_RNA) where: Base-Base interactions energy: -535.768 where: short stacking energy: -300.297 Base-Backbone interact. energy: 0.385 local terms energy: -393.261240 where: bonds (distance) C4'-P energy: -107.035 bonds (distance) P-C4' energy: -137.920 flat angles C4'-P-C4' energy: -72.637 flat angles P-C4'-P energy: -34.969 tors. eta vs tors. theta energy: -40.701 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: 1, replica: 1 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -2668.658438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.658438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.658438 (E_RNA) where: Base-Base interactions energy: -1840.095 where: short stacking energy: -806.962 Base-Backbone interact. energy: -0.047 local terms energy: -828.516678 where: bonds (distance) C4'-P energy: -148.862 bonds (distance) P-C4' energy: -148.243 flat angles C4'-P-C4' energy: -166.415 flat angles P-C4'-P energy: -122.572 tors. eta vs tors. theta energy: -242.425 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: 2, replica: 4 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -2588.165986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.165986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.165986 (E_RNA) where: Base-Base interactions energy: -1792.154 where: short stacking energy: -791.300 Base-Backbone interact. energy: -2.377 local terms energy: -793.634501 where: bonds (distance) C4'-P energy: -149.492 bonds (distance) P-C4' energy: -137.558 flat angles C4'-P-C4' energy: -171.360 flat angles P-C4'-P energy: -114.912 tors. eta vs tors. theta energy: -220.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -2338.829438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.829438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.829438 (E_RNA) where: Base-Base interactions energy: -1587.677 where: short stacking energy: -692.775 Base-Backbone interact. energy: -1.263 local terms energy: -749.889821 where: bonds (distance) C4'-P energy: -137.938 bonds (distance) P-C4' energy: -148.945 flat angles C4'-P-C4' energy: -161.691 flat angles P-C4'-P energy: -113.172 tors. eta vs tors. theta energy: -188.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -2233.606960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.606960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.606960 (E_RNA) where: Base-Base interactions energy: -1527.210 where: short stacking energy: -652.618 Base-Backbone interact. energy: -4.296 local terms energy: -702.100894 where: bonds (distance) C4'-P energy: -126.058 bonds (distance) P-C4' energy: -138.407 flat angles C4'-P-C4' energy: -151.912 flat angles P-C4'-P energy: -103.998 tors. eta vs tors. theta energy: -181.726 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: 6 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -2175.490715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.490715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.490715 (E_RNA) where: Base-Base interactions energy: -1487.697 where: short stacking energy: -623.730 Base-Backbone interact. energy: 1.767 local terms energy: -689.561534 where: bonds (distance) C4'-P energy: -138.404 bonds (distance) P-C4' energy: -131.240 flat angles C4'-P-C4' energy: -144.309 flat angles P-C4'-P energy: -96.927 tors. eta vs tors. theta energy: -178.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -2056.451459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.451459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.451459 (E_RNA) where: Base-Base interactions energy: -1371.107 where: short stacking energy: -600.728 Base-Backbone interact. energy: -1.656 local terms energy: -683.688594 where: bonds (distance) C4'-P energy: -134.607 bonds (distance) P-C4' energy: -128.348 flat angles C4'-P-C4' energy: -149.980 flat angles P-C4'-P energy: -94.835 tors. eta vs tors. theta energy: -175.919 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: 7, replica: 9 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -1836.682591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.682591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.682591 (E_RNA) where: Base-Base interactions energy: -1259.668 where: short stacking energy: -516.995 Base-Backbone interact. energy: -0.762 local terms energy: -576.253125 where: bonds (distance) C4'-P energy: -102.760 bonds (distance) P-C4' energy: -129.448 flat angles C4'-P-C4' energy: -125.156 flat angles P-C4'-P energy: -73.565 tors. eta vs tors. theta energy: -145.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -1614.653226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.653226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.653226 (E_RNA) where: Base-Base interactions energy: -1068.078 where: short stacking energy: -490.000 Base-Backbone interact. energy: -1.404 local terms energy: -545.171320 where: bonds (distance) C4'-P energy: -99.379 bonds (distance) P-C4' energy: -123.132 flat angles C4'-P-C4' energy: -136.355 flat angles P-C4'-P energy: -78.730 tors. eta vs tors. theta energy: -107.576 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: 5 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -1168.462242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.462242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.462242 (E_RNA) where: Base-Base interactions energy: -701.611 where: short stacking energy: -339.970 Base-Backbone interact. energy: 3.632 local terms energy: -470.482911 where: bonds (distance) C4'-P energy: -132.860 bonds (distance) P-C4' energy: -125.297 flat angles C4'-P-C4' energy: -105.736 flat angles P-C4'-P energy: -75.195 tors. eta vs tors. theta energy: -31.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -906.323106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.323106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.323106 (E_RNA) where: Base-Base interactions energy: -465.051 where: short stacking energy: -232.200 Base-Backbone interact. energy: -1.975 local terms energy: -439.296783 where: bonds (distance) C4'-P energy: -121.695 bonds (distance) P-C4' energy: -122.543 flat angles C4'-P-C4' energy: -116.252 flat angles P-C4'-P energy: -74.387 tors. eta vs tors. theta energy: -4.420 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: 1, replica: 1 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -2635.500098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.500098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.500098 (E_RNA) where: Base-Base interactions energy: -1802.575 where: short stacking energy: -822.181 Base-Backbone interact. energy: -1.854 local terms energy: -831.071079 where: bonds (distance) C4'-P energy: -148.404 bonds (distance) P-C4' energy: -149.559 flat angles C4'-P-C4' energy: -173.327 flat angles P-C4'-P energy: -121.954 tors. eta vs tors. theta energy: -237.827 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: 4 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -2541.665141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.665141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.665141 (E_RNA) where: Base-Base interactions energy: -1761.666 where: short stacking energy: -779.265 Base-Backbone interact. energy: 1.088 local terms energy: -781.086922 where: bonds (distance) C4'-P energy: -142.878 bonds (distance) P-C4' energy: -141.467 flat angles C4'-P-C4' energy: -159.440 flat angles P-C4'-P energy: -117.398 tors. eta vs tors. theta energy: -219.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -2373.527878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.527878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.527878 (E_RNA) where: Base-Base interactions energy: -1604.383 where: short stacking energy: -682.763 Base-Backbone interact. energy: -5.004 local terms energy: -764.140601 where: bonds (distance) C4'-P energy: -157.302 bonds (distance) P-C4' energy: -148.841 flat angles C4'-P-C4' energy: -148.262 flat angles P-C4'-P energy: -109.912 tors. eta vs tors. theta energy: -199.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -2245.926723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.926723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.926723 (E_RNA) where: Base-Base interactions energy: -1555.381 where: short stacking energy: -664.023 Base-Backbone interact. energy: -0.766 local terms energy: -689.779509 where: bonds (distance) C4'-P energy: -129.759 bonds (distance) P-C4' energy: -125.794 flat angles C4'-P-C4' energy: -145.475 flat angles P-C4'-P energy: -93.769 tors. eta vs tors. theta energy: -194.984 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: 6 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -2196.236745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.236745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.236745 (E_RNA) where: Base-Base interactions energy: -1498.190 where: short stacking energy: -653.050 Base-Backbone interact. energy: -5.282 local terms energy: -692.764720 where: bonds (distance) C4'-P energy: -122.557 bonds (distance) P-C4' energy: -122.040 flat angles C4'-P-C4' energy: -157.457 flat angles P-C4'-P energy: -103.285 tors. eta vs tors. theta energy: -187.426 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: 7 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -1985.064620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.064620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.064620 (E_RNA) where: Base-Base interactions energy: -1309.168 where: short stacking energy: -568.865 Base-Backbone interact. energy: -3.043 local terms energy: -672.853355 where: bonds (distance) C4'-P energy: -131.997 bonds (distance) P-C4' energy: -132.779 flat angles C4'-P-C4' energy: -152.800 flat angles P-C4'-P energy: -97.384 tors. eta vs tors. theta energy: -157.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -1843.386035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.386035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.386035 (E_RNA) where: Base-Base interactions energy: -1266.123 where: short stacking energy: -535.007 Base-Backbone interact. energy: -2.910 local terms energy: -574.353837 where: bonds (distance) C4'-P energy: -106.597 bonds (distance) P-C4' energy: -109.282 flat angles C4'-P-C4' energy: -139.512 flat angles P-C4'-P energy: -75.893 tors. eta vs tors. theta energy: -143.068 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: 10 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -1523.609496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.609496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.609496 (E_RNA) where: Base-Base interactions energy: -968.493 where: short stacking energy: -437.090 Base-Backbone interact. energy: -1.203 local terms energy: -553.913138 where: bonds (distance) C4'-P energy: -116.497 bonds (distance) P-C4' energy: -138.620 flat angles C4'-P-C4' energy: -125.548 flat angles P-C4'-P energy: -75.993 tors. eta vs tors. theta energy: -97.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -1127.161036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.161036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.161036 (E_RNA) where: Base-Base interactions energy: -656.869 where: short stacking energy: -315.181 Base-Backbone interact. energy: -3.133 local terms energy: -467.159226 where: bonds (distance) C4'-P energy: -121.042 bonds (distance) P-C4' energy: -109.218 flat angles C4'-P-C4' energy: -126.957 flat angles P-C4'-P energy: -68.090 tors. eta vs tors. theta energy: -41.853 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: 2 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -901.900435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.900435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.900435 (E_RNA) where: Base-Base interactions energy: -488.791 where: short stacking energy: -252.112 Base-Backbone interact. energy: 4.045 local terms energy: -417.153830 where: bonds (distance) C4'-P energy: -107.849 bonds (distance) P-C4' energy: -129.161 flat angles C4'-P-C4' energy: -113.802 flat angles P-C4'-P energy: -69.315 tors. eta vs tors. theta energy: 2.974 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) replica 1 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 118913573 moves confirmed later: 129253434 all moves confirmed: 248167007 percent of confirmed moves: 31.020876 current total energy: -2513.588703 recalc. total energy: -2513.588703 replica 4 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 136644620 moves confirmed later: 152424740 all moves confirmed: 289069360 percent of confirmed moves: 36.133670 current total energy: -2467.163259 recalc. total energy: -2467.163259 replica 3 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 148980393 moves confirmed later: 168076248 all moves confirmed: 317056641 percent of confirmed moves: 39.632080 current total energy: -2228.692064 recalc. total energy: -2228.692064 replica 8 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 123348896 moves confirmed later: 134856948 all moves confirmed: 258205844 percent of confirmed moves: 32.275731 current total energy: -2128.013531 recalc. total energy: -2128.013531 replica 6 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 177577470 moves confirmed later: 205791690 all moves confirmed: 383369160 percent of confirmed moves: 47.921145 current total energy: -2108.640693 recalc. total energy: -2108.640693 replica 7 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 141266866 moves confirmed later: 157522253 all moves confirmed: 298789119 percent of confirmed moves: 37.348640 current total energy: -1820.824349 recalc. total energy: -1820.824349 replica 9 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 229323277 moves confirmed later: 273817691 all moves confirmed: 503140968 percent of confirmed moves: 62.892621 current total energy: -1627.133773 recalc. total energy: -1627.133773 replica 10 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 165923867 moves confirmed later: 190340216 all moves confirmed: 356264083 percent of confirmed moves: 44.533010 current total energy: -1333.387701 recalc. total energy: -1333.387701 replica 5 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 253532213 moves confirmed later: 304508185 all moves confirmed: 558040398 percent of confirmed moves: 69.755050 current total energy: -1028.776679 recalc. total energy: -1028.776679 replica 2 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 207714338 moves confirmed later: 245333436 all moves confirmed: 453047774 percent of confirmed moves: 56.630972 current total energy: -751.888990 recalc. total energy: -751.888990 out arg RESULTS//1/Y220C-0bece798_01 Time of doing 8000000 iterations: 56257.679 seconds